USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 37 TYR OH : rot -18:sc= 1.16 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.23) USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0175) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0055 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.839) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 51:sc= 0.187 USER MOD Single : A 18 SER OG : rot 64:sc= 1.63 USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0.142 (180deg=-0.841) USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= 1.21 (180deg=0.388) USER MOD Single : A 29 ASN : amide:sc= 0.631 K(o=0.63,f=-3.7!) USER MOD Single : A 32 SER OG : rot -55:sc= 0.0721 USER MOD Single : A 34 GLN : amide:sc=-0.00635 K(o=-0.0063,f=-0.91) USER MOD Single : A 35 ASN : amide:sc= 0.303 K(o=0.3,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0.959 (180deg=0.811) USER MOD Single : A 42 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.043) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 1.38 (180deg=1.32) USER MOD Single : A 51 ASN : amide:sc= 0.815 K(o=0.81,f=-0.8) USER MOD Single : A 52 TYR OH : rot -26:sc= 1.21 USER MOD Single : A 55 MET CE :methyl 176:sc= 0 (180deg=-0.0181) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.769 3.554 1.054 1.00 0.00 N ATOM 2 CA MET A 1 12.949 2.596 1.783 1.00 0.00 C ATOM 3 C MET A 1 11.784 2.108 0.902 1.00 0.00 C ATOM 4 O MET A 1 11.128 2.900 0.223 1.00 0.00 O ATOM 5 CB MET A 1 12.463 3.233 3.100 1.00 0.00 C ATOM 6 CG MET A 1 11.598 2.291 3.952 1.00 0.00 C ATOM 7 SD MET A 1 12.342 0.696 4.400 1.00 0.00 S ATOM 8 CE MET A 1 10.962 -0.025 5.320 1.00 0.00 C ATOM 0 H1 MET A 1 14.110 4.287 1.708 1.00 0.00 H new ATOM 0 H2 MET A 1 14.582 3.063 0.630 1.00 0.00 H new ATOM 0 H3 MET A 1 13.201 3.996 0.303 1.00 0.00 H new ATOM 0 HA MET A 1 13.542 1.717 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.328 3.547 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.890 4.132 2.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.328 2.812 4.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.671 2.096 3.412 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.221 -1.037 5.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.755 0.583 6.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.077 -0.055 4.684 1.00 0.00 H new ATOM 19 N GLU A 2 11.530 0.791 0.922 1.00 0.00 N ATOM 20 CA GLU A 2 10.570 0.111 0.055 1.00 0.00 C ATOM 21 C GLU A 2 9.907 -1.103 0.739 1.00 0.00 C ATOM 22 O GLU A 2 10.428 -1.644 1.714 1.00 0.00 O ATOM 23 CB GLU A 2 11.233 -0.256 -1.292 1.00 0.00 C ATOM 24 CG GLU A 2 12.717 -0.669 -1.233 1.00 0.00 C ATOM 25 CD GLU A 2 13.016 -1.750 -0.196 1.00 0.00 C ATOM 26 OE1 GLU A 2 12.577 -2.898 -0.421 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.691 -1.410 0.802 1.00 0.00 O ATOM 0 H GLU A 2 12.004 0.155 1.563 1.00 0.00 H new ATOM 0 HA GLU A 2 9.755 0.805 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.668 -1.073 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.142 0.599 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.024 -1.027 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.321 0.211 -1.011 1.00 0.00 H new ATOM 34 N ALA A 3 8.739 -1.506 0.208 1.00 0.00 N ATOM 35 CA ALA A 3 7.892 -2.615 0.656 1.00 0.00 C ATOM 36 C ALA A 3 7.622 -3.590 -0.500 1.00 0.00 C ATOM 37 O ALA A 3 7.343 -3.154 -1.617 1.00 0.00 O ATOM 38 CB ALA A 3 6.551 -2.066 1.164 1.00 0.00 C ATOM 0 H ALA A 3 8.339 -1.030 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 3 8.411 -3.143 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.922 -2.892 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.728 -1.386 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.049 -1.529 0.359 1.00 0.00 H new ATOM 44 N ILE A 4 7.646 -4.904 -0.222 1.00 0.00 N ATOM 45 CA ILE A 4 7.266 -5.939 -1.189 1.00 0.00 C ATOM 46 C ILE A 4 5.736 -6.049 -1.273 1.00 0.00 C ATOM 47 O ILE A 4 5.053 -6.060 -0.247 1.00 0.00 O ATOM 48 CB ILE A 4 7.958 -7.291 -0.865 1.00 0.00 C ATOM 49 CG1 ILE A 4 7.259 -8.191 0.174 1.00 0.00 C ATOM 50 CG2 ILE A 4 8.246 -8.072 -2.161 1.00 0.00 C ATOM 51 CD1 ILE A 4 6.261 -9.221 -0.370 1.00 0.00 C ATOM 0 H ILE A 4 7.931 -5.276 0.684 1.00 0.00 H new ATOM 0 HA ILE A 4 7.620 -5.651 -2.179 1.00 0.00 H new ATOM 0 HB ILE A 4 8.888 -7.004 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.027 -8.724 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.735 -7.550 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.731 -9.017 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.309 -8.269 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.902 -7.483 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.838 -9.790 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.461 -8.707 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.774 -9.899 -1.052 1.00 0.00 H new ATOM 63 N ALA A 5 5.200 -6.142 -2.496 1.00 0.00 N ATOM 64 CA ALA A 5 3.791 -6.409 -2.754 1.00 0.00 C ATOM 65 C ALA A 5 3.461 -7.866 -2.403 1.00 0.00 C ATOM 66 O ALA A 5 3.897 -8.784 -3.094 1.00 0.00 O ATOM 67 CB ALA A 5 3.469 -6.092 -4.213 1.00 0.00 C ATOM 0 H ALA A 5 5.750 -6.030 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 5 3.172 -5.770 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.415 -6.292 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.681 -5.042 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.081 -6.716 -4.864 1.00 0.00 H new ATOM 73 N LYS A 6 2.723 -8.089 -1.309 1.00 0.00 N ATOM 74 CA LYS A 6 2.449 -9.420 -0.765 1.00 0.00 C ATOM 75 C LYS A 6 1.168 -10.021 -1.371 1.00 0.00 C ATOM 76 O LYS A 6 1.128 -11.219 -1.650 1.00 0.00 O ATOM 77 CB LYS A 6 2.412 -9.345 0.773 1.00 0.00 C ATOM 78 CG LYS A 6 2.659 -10.713 1.426 1.00 0.00 C ATOM 79 CD LYS A 6 2.806 -10.559 2.950 1.00 0.00 C ATOM 80 CE LYS A 6 3.258 -11.856 3.640 1.00 0.00 C ATOM 81 NZ LYS A 6 4.612 -12.272 3.222 1.00 0.00 N ATOM 0 H LYS A 6 2.294 -7.337 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 6 3.252 -10.101 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.166 -8.638 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.444 -8.961 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.832 -11.386 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.560 -11.164 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.527 -9.770 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.852 -10.242 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.241 -11.715 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.549 -12.652 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.947 -13.036 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.583 -12.611 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.260 -11.462 3.289 1.00 0.00 H new ATOM 95 N VAL A 7 0.139 -9.187 -1.591 1.00 0.00 N ATOM 96 CA VAL A 7 -1.126 -9.532 -2.246 1.00 0.00 C ATOM 97 C VAL A 7 -1.468 -8.444 -3.281 1.00 0.00 C ATOM 98 O VAL A 7 -1.233 -7.261 -3.036 1.00 0.00 O ATOM 99 CB VAL A 7 -2.242 -9.691 -1.186 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.592 -10.054 -1.830 1.00 0.00 C ATOM 101 CG2 VAL A 7 -1.883 -10.772 -0.149 1.00 0.00 C ATOM 0 H VAL A 7 0.171 -8.209 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.035 -10.485 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.331 -8.725 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.350 -10.157 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.888 -9.267 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.496 -10.996 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.688 -10.858 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.747 -11.729 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.960 -10.495 0.360 1.00 0.00 H new ATOM 111 N ASP A 8 -2.023 -8.840 -4.437 1.00 0.00 N ATOM 112 CA ASP A 8 -2.377 -7.952 -5.545 1.00 0.00 C ATOM 113 C ASP A 8 -3.525 -7.003 -5.139 1.00 0.00 C ATOM 114 O ASP A 8 -4.690 -7.403 -5.157 1.00 0.00 O ATOM 115 CB ASP A 8 -2.765 -8.792 -6.781 1.00 0.00 C ATOM 116 CG ASP A 8 -1.696 -9.806 -7.192 1.00 0.00 C ATOM 117 OD1 ASP A 8 -1.648 -10.874 -6.544 1.00 0.00 O ATOM 118 OD2 ASP A 8 -0.951 -9.511 -8.151 1.00 0.00 O ATOM 0 H ASP A 8 -2.243 -9.818 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.513 -7.337 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.695 -9.321 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.960 -8.122 -7.619 1.00 0.00 H new ATOM 123 N PHE A 9 -3.206 -5.751 -4.769 1.00 0.00 N ATOM 124 CA PHE A 9 -4.194 -4.755 -4.344 1.00 0.00 C ATOM 125 C PHE A 9 -4.848 -4.063 -5.551 1.00 0.00 C ATOM 126 O PHE A 9 -4.165 -3.723 -6.519 1.00 0.00 O ATOM 127 CB PHE A 9 -3.548 -3.722 -3.409 1.00 0.00 C ATOM 128 CG PHE A 9 -4.523 -2.725 -2.794 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.678 -3.184 -2.117 1.00 0.00 C ATOM 130 CD2 PHE A 9 -4.325 -1.336 -2.963 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.648 -2.268 -1.663 1.00 0.00 C ATOM 132 CE2 PHE A 9 -5.278 -0.416 -2.475 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.443 -0.883 -1.831 1.00 0.00 C ATOM 0 H PHE A 9 -2.247 -5.403 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.980 -5.276 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.034 -4.250 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.789 -3.172 -3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.817 -4.242 -1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.440 -0.977 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.548 -2.627 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.115 0.645 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.178 -0.180 -1.467 1.00 0.00 H new ATOM 143 N LYS A 10 -6.175 -3.868 -5.483 1.00 0.00 N ATOM 144 CA LYS A 10 -7.012 -3.374 -6.575 1.00 0.00 C ATOM 145 C LYS A 10 -8.089 -2.414 -6.031 1.00 0.00 C ATOM 146 O LYS A 10 -9.194 -2.844 -5.701 1.00 0.00 O ATOM 147 CB LYS A 10 -7.625 -4.566 -7.340 1.00 0.00 C ATOM 148 CG LYS A 10 -6.553 -5.475 -7.968 1.00 0.00 C ATOM 149 CD LYS A 10 -7.182 -6.599 -8.803 1.00 0.00 C ATOM 150 CE LYS A 10 -6.089 -7.523 -9.358 1.00 0.00 C ATOM 151 NZ LYS A 10 -6.659 -8.621 -10.159 1.00 0.00 N ATOM 0 H LYS A 10 -6.708 -4.058 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.403 -2.806 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.241 -5.153 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.284 -4.191 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.893 -4.878 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.936 -5.908 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.876 -7.173 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.759 -6.173 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.400 -6.944 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.509 -7.937 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.891 -9.224 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.297 -9.189 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.191 -8.226 -10.960 1.00 0.00 H new ATOM 165 N ALA A 11 -7.767 -1.113 -5.967 1.00 0.00 N ATOM 166 CA ALA A 11 -8.690 -0.008 -5.683 1.00 0.00 C ATOM 167 C ALA A 11 -8.993 0.797 -6.963 1.00 0.00 C ATOM 168 O ALA A 11 -8.308 0.661 -7.978 1.00 0.00 O ATOM 169 CB ALA A 11 -8.094 0.893 -4.595 1.00 0.00 C ATOM 0 H ALA A 11 -6.812 -0.790 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.633 -0.418 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.781 1.713 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.936 0.311 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.141 1.296 -4.938 1.00 0.00 H new ATOM 175 N THR A 12 -10.040 1.635 -6.914 1.00 0.00 N ATOM 176 CA THR A 12 -10.534 2.436 -8.039 1.00 0.00 C ATOM 177 C THR A 12 -10.809 3.878 -7.577 1.00 0.00 C ATOM 178 O THR A 12 -11.960 4.270 -7.388 1.00 0.00 O ATOM 179 CB THR A 12 -11.773 1.763 -8.673 1.00 0.00 C ATOM 180 OG1 THR A 12 -12.783 1.530 -7.709 1.00 0.00 O ATOM 181 CG2 THR A 12 -11.421 0.429 -9.348 1.00 0.00 C ATOM 0 H THR A 12 -10.582 1.777 -6.062 1.00 0.00 H new ATOM 0 HA THR A 12 -9.772 2.489 -8.817 1.00 0.00 H new ATOM 0 HB THR A 12 -12.141 2.457 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.958 2.356 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.321 -0.009 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.688 0.602 -10.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.004 -0.254 -8.608 1.00 0.00 H new ATOM 189 N ALA A 13 -9.741 4.672 -7.402 1.00 0.00 N ATOM 190 CA ALA A 13 -9.802 6.062 -6.945 1.00 0.00 C ATOM 191 C ALA A 13 -8.517 6.837 -7.297 1.00 0.00 C ATOM 192 O ALA A 13 -7.584 6.296 -7.892 1.00 0.00 O ATOM 193 CB ALA A 13 -10.075 6.086 -5.429 1.00 0.00 C ATOM 0 H ALA A 13 -8.789 4.353 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.618 6.565 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.121 7.119 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.024 5.591 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.273 5.565 -4.907 1.00 0.00 H new ATOM 199 N ASP A 14 -8.470 8.117 -6.906 1.00 0.00 N ATOM 200 CA ASP A 14 -7.292 8.978 -6.995 1.00 0.00 C ATOM 201 C ASP A 14 -6.319 8.678 -5.840 1.00 0.00 C ATOM 202 O ASP A 14 -5.134 8.445 -6.077 1.00 0.00 O ATOM 203 CB ASP A 14 -7.734 10.452 -6.995 1.00 0.00 C ATOM 204 CG ASP A 14 -8.611 10.789 -8.202 1.00 0.00 C ATOM 205 OD1 ASP A 14 -8.027 11.131 -9.254 1.00 0.00 O ATOM 206 OD2 ASP A 14 -9.849 10.684 -8.057 1.00 0.00 O ATOM 0 H ASP A 14 -9.279 8.594 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.762 8.778 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.283 10.666 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.853 11.094 -6.997 1.00 0.00 H new ATOM 211 N ASP A 15 -6.829 8.678 -4.598 1.00 0.00 N ATOM 212 CA ASP A 15 -6.088 8.479 -3.352 1.00 0.00 C ATOM 213 C ASP A 15 -5.243 7.192 -3.352 1.00 0.00 C ATOM 214 O ASP A 15 -4.058 7.236 -3.026 1.00 0.00 O ATOM 215 CB ASP A 15 -7.075 8.487 -2.168 1.00 0.00 C ATOM 216 CG ASP A 15 -7.873 9.789 -2.081 1.00 0.00 C ATOM 217 OD1 ASP A 15 -8.855 9.901 -2.848 1.00 0.00 O ATOM 218 OD2 ASP A 15 -7.485 10.648 -1.259 1.00 0.00 O ATOM 0 H ASP A 15 -7.825 8.825 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.380 9.302 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.764 7.648 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.524 8.339 -1.239 1.00 0.00 H new ATOM 223 N GLU A 16 -5.854 6.049 -3.701 1.00 0.00 N ATOM 224 CA GLU A 16 -5.241 4.727 -3.726 1.00 0.00 C ATOM 225 C GLU A 16 -4.025 4.598 -4.659 1.00 0.00 C ATOM 226 O GLU A 16 -3.687 5.505 -5.420 1.00 0.00 O ATOM 227 CB GLU A 16 -6.328 3.721 -4.148 1.00 0.00 C ATOM 228 CG GLU A 16 -6.835 3.926 -5.598 1.00 0.00 C ATOM 229 CD GLU A 16 -5.892 3.402 -6.688 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.699 2.170 -6.729 1.00 0.00 O ATOM 231 OE2 GLU A 16 -5.372 4.233 -7.463 1.00 0.00 O ATOM 0 H GLU A 16 -6.833 6.029 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.852 4.530 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.933 2.710 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.172 3.802 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.801 3.431 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.002 4.990 -5.763 1.00 0.00 H new ATOM 238 N LEU A 17 -3.408 3.412 -4.616 1.00 0.00 N ATOM 239 CA LEU A 17 -2.383 2.956 -5.543 1.00 0.00 C ATOM 240 C LEU A 17 -2.497 1.427 -5.655 1.00 0.00 C ATOM 241 O LEU A 17 -2.069 0.712 -4.753 1.00 0.00 O ATOM 242 CB LEU A 17 -0.994 3.398 -5.057 1.00 0.00 C ATOM 243 CG LEU A 17 0.101 3.050 -6.087 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.549 4.307 -6.844 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.295 2.380 -5.402 1.00 0.00 C ATOM 0 H LEU A 17 -3.624 2.718 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.524 3.397 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.996 4.473 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.769 2.914 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.318 2.347 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.321 4.041 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.304 4.740 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.948 5.035 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.055 2.143 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.714 3.057 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.967 1.462 -4.914 1.00 0.00 H new ATOM 257 N SER A 18 -3.071 0.925 -6.756 1.00 0.00 N ATOM 258 CA SER A 18 -3.173 -0.506 -7.062 1.00 0.00 C ATOM 259 C SER A 18 -1.818 -1.069 -7.520 1.00 0.00 C ATOM 260 O SER A 18 -0.991 -0.335 -8.064 1.00 0.00 O ATOM 261 CB SER A 18 -4.239 -0.733 -8.146 1.00 0.00 C ATOM 262 OG SER A 18 -5.523 -0.411 -7.659 1.00 0.00 O ATOM 0 H SER A 18 -3.487 1.517 -7.475 1.00 0.00 H new ATOM 0 HA SER A 18 -3.467 -1.033 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.012 -0.122 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.218 -1.773 -8.471 1.00 0.00 H new ATOM 0 HG SER A 18 -5.561 0.544 -7.444 1.00 0.00 H new ATOM 268 N PHE A 19 -1.591 -2.375 -7.308 1.00 0.00 N ATOM 269 CA PHE A 19 -0.329 -3.032 -7.657 1.00 0.00 C ATOM 270 C PHE A 19 -0.450 -4.561 -7.778 1.00 0.00 C ATOM 271 O PHE A 19 -1.360 -5.183 -7.231 1.00 0.00 O ATOM 272 CB PHE A 19 0.775 -2.636 -6.656 1.00 0.00 C ATOM 273 CG PHE A 19 0.442 -2.898 -5.195 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.585 -4.193 -4.651 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.085 -1.862 -4.395 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.266 -4.433 -3.297 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.496 -2.126 -3.072 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.300 -3.406 -2.515 1.00 0.00 C ATOM 0 H PHE A 19 -2.279 -3.002 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.054 -2.678 -8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.686 -3.179 -6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.992 -1.575 -6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.939 -5.002 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.174 -0.864 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.455 -5.403 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.961 -1.347 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.583 -3.599 -1.491 1.00 0.00 H new ATOM 288 N LYS A 20 0.524 -5.141 -8.491 1.00 0.00 N ATOM 289 CA LYS A 20 0.775 -6.571 -8.671 1.00 0.00 C ATOM 290 C LYS A 20 1.642 -7.109 -7.518 1.00 0.00 C ATOM 291 O LYS A 20 2.477 -6.377 -6.989 1.00 0.00 O ATOM 292 CB LYS A 20 1.552 -6.746 -9.988 1.00 0.00 C ATOM 293 CG LYS A 20 0.723 -6.476 -11.251 1.00 0.00 C ATOM 294 CD LYS A 20 1.598 -6.082 -12.456 1.00 0.00 C ATOM 295 CE LYS A 20 2.727 -7.073 -12.800 1.00 0.00 C ATOM 296 NZ LYS A 20 3.941 -6.880 -11.977 1.00 0.00 N ATOM 0 H LYS A 20 1.208 -4.576 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.170 -7.113 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.411 -6.075 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.942 -7.763 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.146 -7.366 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.008 -5.679 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.956 -5.970 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.041 -5.106 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.362 -8.091 -12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.988 -6.965 -13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.776 -7.193 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.041 -5.873 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.861 -7.438 -11.103 1.00 0.00 H new ATOM 310 N ARG A 21 1.493 -8.396 -7.163 1.00 0.00 N ATOM 311 CA ARG A 21 2.356 -9.063 -6.182 1.00 0.00 C ATOM 312 C ARG A 21 3.806 -9.223 -6.688 1.00 0.00 C ATOM 313 O ARG A 21 4.050 -9.325 -7.890 1.00 0.00 O ATOM 314 CB ARG A 21 1.746 -10.397 -5.716 1.00 0.00 C ATOM 315 CG ARG A 21 1.693 -11.479 -6.805 1.00 0.00 C ATOM 316 CD ARG A 21 1.108 -12.778 -6.230 1.00 0.00 C ATOM 317 NE ARG A 21 0.975 -13.817 -7.264 1.00 0.00 N ATOM 318 CZ ARG A 21 0.020 -13.881 -8.209 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.961 -12.975 -8.283 1.00 0.00 N ATOM 320 NH2 ARG A 21 0.047 -14.875 -9.102 1.00 0.00 N ATOM 0 H ARG A 21 0.769 -9.001 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 21 2.413 -8.414 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.325 -10.774 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.735 -10.214 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.084 -11.135 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.694 -11.663 -7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.749 -13.143 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.132 -12.575 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 21 1.674 -14.560 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.999 -12.209 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.671 -13.050 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.787 -15.576 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.672 -14.933 -9.823 1.00 0.00 H new ATOM 334 N GLY A 22 4.768 -9.230 -5.753 1.00 0.00 N ATOM 335 CA GLY A 22 6.209 -9.251 -5.996 1.00 0.00 C ATOM 336 C GLY A 22 6.806 -7.842 -6.102 1.00 0.00 C ATOM 337 O GLY A 22 7.826 -7.563 -5.471 1.00 0.00 O ATOM 0 H GLY A 22 4.545 -9.221 -4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.703 -9.792 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.411 -9.798 -6.917 1.00 0.00 H new ATOM 341 N ASP A 23 6.179 -6.966 -6.905 1.00 0.00 N ATOM 342 CA ASP A 23 6.580 -5.589 -7.194 1.00 0.00 C ATOM 343 C ASP A 23 7.027 -4.834 -5.926 1.00 0.00 C ATOM 344 O ASP A 23 6.331 -4.836 -4.911 1.00 0.00 O ATOM 345 CB ASP A 23 5.427 -4.852 -7.910 1.00 0.00 C ATOM 346 CG ASP A 23 5.032 -5.484 -9.251 1.00 0.00 C ATOM 347 OD1 ASP A 23 4.734 -6.699 -9.259 1.00 0.00 O ATOM 348 OD2 ASP A 23 5.013 -4.746 -10.261 1.00 0.00 O ATOM 0 H ASP A 23 5.324 -7.223 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 23 7.447 -5.619 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.556 -4.835 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.719 -3.815 -8.079 1.00 0.00 H new ATOM 353 N ILE A 24 8.210 -4.211 -5.997 1.00 0.00 N ATOM 354 CA ILE A 24 8.868 -3.505 -4.897 1.00 0.00 C ATOM 355 C ILE A 24 8.505 -2.014 -4.987 1.00 0.00 C ATOM 356 O ILE A 24 9.048 -1.290 -5.822 1.00 0.00 O ATOM 357 CB ILE A 24 10.395 -3.766 -4.940 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.684 -5.279 -4.800 1.00 0.00 C ATOM 359 CG2 ILE A 24 11.111 -2.977 -3.828 1.00 0.00 C ATOM 360 CD1 ILE A 24 12.171 -5.639 -4.925 1.00 0.00 C ATOM 0 H ILE A 24 8.755 -4.186 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 24 8.523 -3.873 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 24 10.777 -3.425 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.317 -5.622 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.123 -5.819 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.182 -3.173 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.931 -1.911 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.727 -3.288 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.295 -6.716 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.540 -5.328 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.736 -5.128 -4.145 1.00 0.00 H new ATOM 372 N LEU A 25 7.575 -1.563 -4.132 1.00 0.00 N ATOM 373 CA LEU A 25 7.050 -0.197 -4.103 1.00 0.00 C ATOM 374 C LEU A 25 7.887 0.692 -3.170 1.00 0.00 C ATOM 375 O LEU A 25 8.327 0.247 -2.112 1.00 0.00 O ATOM 376 CB LEU A 25 5.576 -0.207 -3.657 1.00 0.00 C ATOM 377 CG LEU A 25 4.604 -0.612 -4.781 1.00 0.00 C ATOM 378 CD1 LEU A 25 4.727 -2.082 -5.207 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.162 -0.330 -4.345 1.00 0.00 C ATOM 0 H LEU A 25 7.156 -2.162 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 25 7.112 0.217 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.461 -0.896 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.307 0.784 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 25 4.875 -0.011 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.011 -2.292 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.737 -2.273 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.520 -2.727 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.478 -0.618 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.934 -0.904 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.047 0.733 -4.134 1.00 0.00 H new ATOM 391 N LYS A 26 8.072 1.962 -3.560 1.00 0.00 N ATOM 392 CA LYS A 26 8.894 2.961 -2.879 1.00 0.00 C ATOM 393 C LYS A 26 8.026 3.709 -1.855 1.00 0.00 C ATOM 394 O LYS A 26 7.305 4.638 -2.222 1.00 0.00 O ATOM 395 CB LYS A 26 9.457 3.909 -3.956 1.00 0.00 C ATOM 396 CG LYS A 26 10.385 5.021 -3.435 1.00 0.00 C ATOM 397 CD LYS A 26 10.340 6.251 -4.361 1.00 0.00 C ATOM 398 CE LYS A 26 10.752 5.941 -5.812 1.00 0.00 C ATOM 399 NZ LYS A 26 10.356 7.019 -6.737 1.00 0.00 N ATOM 0 H LYS A 26 7.629 2.334 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 26 9.723 2.506 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.004 3.316 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.622 4.372 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.085 5.308 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.407 4.647 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.330 6.662 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.999 7.022 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.832 5.799 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.293 5.004 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.140 7.222 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.521 6.721 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.127 7.876 -6.194 1.00 0.00 H new ATOM 413 N VAL A 27 8.089 3.312 -0.574 1.00 0.00 N ATOM 414 CA VAL A 27 7.216 3.809 0.479 1.00 0.00 C ATOM 415 C VAL A 27 7.803 5.050 1.154 1.00 0.00 C ATOM 416 O VAL A 27 9.017 5.176 1.314 1.00 0.00 O ATOM 417 CB VAL A 27 6.911 2.703 1.501 1.00 0.00 C ATOM 418 CG1 VAL A 27 6.305 1.484 0.808 1.00 0.00 C ATOM 419 CG2 VAL A 27 8.097 2.273 2.372 1.00 0.00 C ATOM 0 H VAL A 27 8.765 2.623 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 27 6.274 4.109 0.020 1.00 0.00 H new ATOM 0 HB VAL A 27 6.193 3.151 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.096 0.711 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.378 1.771 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.008 1.098 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.778 1.489 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.897 1.895 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.460 3.129 2.941 1.00 0.00 H new ATOM 429 N LEU A 28 6.905 5.967 1.530 1.00 0.00 N ATOM 430 CA LEU A 28 7.229 7.318 2.002 1.00 0.00 C ATOM 431 C LEU A 28 6.799 7.572 3.463 1.00 0.00 C ATOM 432 O LEU A 28 7.353 8.471 4.095 1.00 0.00 O ATOM 433 CB LEU A 28 6.648 8.375 1.037 1.00 0.00 C ATOM 434 CG LEU A 28 6.977 8.152 -0.460 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.368 9.269 -1.325 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.486 8.100 -0.753 1.00 0.00 C ATOM 0 H LEU A 28 5.902 5.784 1.514 1.00 0.00 H new ATOM 0 HA LEU A 28 8.315 7.407 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.565 8.395 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.019 9.356 1.332 1.00 0.00 H new ATOM 0 HG LEU A 28 6.545 7.183 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.612 9.092 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.285 9.276 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.775 10.232 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.644 7.942 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.947 9.041 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.937 7.281 -0.194 1.00 0.00 H new ATOM 448 N ASN A 29 5.836 6.806 4.010 1.00 0.00 N ATOM 449 CA ASN A 29 5.385 6.913 5.406 1.00 0.00 C ATOM 450 C ASN A 29 4.879 5.571 5.977 1.00 0.00 C ATOM 451 O ASN A 29 4.653 4.615 5.235 1.00 0.00 O ATOM 452 CB ASN A 29 4.321 8.025 5.533 1.00 0.00 C ATOM 453 CG ASN A 29 3.010 7.681 4.822 1.00 0.00 C ATOM 454 OD1 ASN A 29 2.794 8.081 3.682 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.127 6.932 5.482 1.00 0.00 N ATOM 0 H ASN A 29 5.343 6.085 3.484 1.00 0.00 H new ATOM 0 HA ASN A 29 6.250 7.183 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.119 8.208 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.720 8.951 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.244 6.677 5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.334 6.614 6.429 1.00 0.00 H new ATOM 462 N GLU A 30 4.664 5.535 7.301 1.00 0.00 N ATOM 463 CA GLU A 30 4.040 4.436 8.048 1.00 0.00 C ATOM 464 C GLU A 30 3.506 4.935 9.402 1.00 0.00 C ATOM 465 O GLU A 30 2.351 4.686 9.748 1.00 0.00 O ATOM 466 CB GLU A 30 5.019 3.255 8.208 1.00 0.00 C ATOM 467 CG GLU A 30 4.479 2.198 9.193 1.00 0.00 C ATOM 468 CD GLU A 30 5.160 0.833 9.064 1.00 0.00 C ATOM 469 OE1 GLU A 30 6.402 0.812 8.932 1.00 0.00 O ATOM 470 OE2 GLU A 30 4.420 -0.175 9.109 1.00 0.00 O ATOM 0 H GLU A 30 4.934 6.309 7.907 1.00 0.00 H new ATOM 0 HA GLU A 30 3.186 4.068 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.193 2.792 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.981 3.625 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.608 2.564 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.408 2.077 9.031 1.00 0.00 H new ATOM 477 N GLU A 31 4.366 5.627 10.162 1.00 0.00 N ATOM 478 CA GLU A 31 4.066 6.383 11.378 1.00 0.00 C ATOM 479 C GLU A 31 3.612 5.567 12.610 1.00 0.00 C ATOM 480 O GLU A 31 3.662 6.087 13.723 1.00 0.00 O ATOM 481 CB GLU A 31 3.100 7.537 11.040 1.00 0.00 C ATOM 482 CG GLU A 31 3.422 8.246 9.706 1.00 0.00 C ATOM 483 CD GLU A 31 4.902 8.599 9.530 1.00 0.00 C ATOM 484 OE1 GLU A 31 5.329 9.601 10.141 1.00 0.00 O ATOM 485 OE2 GLU A 31 5.580 7.853 8.787 1.00 0.00 O ATOM 0 H GLU A 31 5.357 5.674 9.924 1.00 0.00 H new ATOM 0 HA GLU A 31 5.023 6.780 11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.083 7.147 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.127 8.270 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.111 7.605 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.831 9.159 9.640 1.00 0.00 H new ATOM 492 N SER A 32 3.180 4.308 12.432 1.00 0.00 N ATOM 493 CA SER A 32 2.631 3.422 13.463 1.00 0.00 C ATOM 494 C SER A 32 1.275 3.930 13.997 1.00 0.00 C ATOM 495 O SER A 32 1.016 3.908 15.200 1.00 0.00 O ATOM 496 CB SER A 32 3.674 3.152 14.566 1.00 0.00 C ATOM 497 OG SER A 32 3.287 2.044 15.354 1.00 0.00 O ATOM 0 H SER A 32 3.207 3.860 11.516 1.00 0.00 H new ATOM 0 HA SER A 32 2.412 2.457 13.007 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.648 2.962 14.115 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.781 4.034 15.197 1.00 0.00 H new ATOM 0 HG SER A 32 2.386 2.194 15.710 1.00 0.00 H new ATOM 503 N ASP A 33 0.406 4.365 13.073 1.00 0.00 N ATOM 504 CA ASP A 33 -0.956 4.850 13.308 1.00 0.00 C ATOM 505 C ASP A 33 -1.728 4.951 11.978 1.00 0.00 C ATOM 506 O ASP A 33 -2.905 4.592 11.910 1.00 0.00 O ATOM 507 CB ASP A 33 -0.957 6.188 14.077 1.00 0.00 C ATOM 508 CG ASP A 33 -0.366 7.351 13.278 1.00 0.00 C ATOM 509 OD1 ASP A 33 0.868 7.527 13.352 1.00 0.00 O ATOM 510 OD2 ASP A 33 -1.161 8.031 12.592 1.00 0.00 O ATOM 0 H ASP A 33 0.653 4.388 12.084 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.471 4.126 13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.980 6.435 14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.391 6.068 15.001 1.00 0.00 H new ATOM 515 N GLN A 34 -1.057 5.428 10.916 1.00 0.00 N ATOM 516 CA GLN A 34 -1.603 5.555 9.571 1.00 0.00 C ATOM 517 C GLN A 34 -2.054 4.190 9.022 1.00 0.00 C ATOM 518 O GLN A 34 -3.212 4.043 8.637 1.00 0.00 O ATOM 519 CB GLN A 34 -0.576 6.255 8.660 1.00 0.00 C ATOM 520 CG GLN A 34 -1.130 6.608 7.269 1.00 0.00 C ATOM 521 CD GLN A 34 -2.163 7.737 7.236 1.00 0.00 C ATOM 522 OE1 GLN A 34 -2.501 8.339 8.252 1.00 0.00 O ATOM 523 NE2 GLN A 34 -2.674 8.039 6.042 1.00 0.00 N ATOM 0 H GLN A 34 -0.089 5.744 10.981 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.498 6.177 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.232 7.167 9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.294 5.609 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.295 6.884 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.582 5.714 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.376 7.523 5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.363 8.786 5.956 1.00 0.00 H new ATOM 532 N ASN A 35 -1.137 3.207 8.988 1.00 0.00 N ATOM 533 CA ASN A 35 -1.332 1.857 8.436 1.00 0.00 C ATOM 534 C ASN A 35 -1.693 1.847 6.933 1.00 0.00 C ATOM 535 O ASN A 35 -2.212 0.855 6.420 1.00 0.00 O ATOM 536 CB ASN A 35 -2.329 1.051 9.297 1.00 0.00 C ATOM 537 CG ASN A 35 -1.836 0.865 10.735 1.00 0.00 C ATOM 538 OD1 ASN A 35 -1.140 -0.100 11.036 1.00 0.00 O ATOM 539 ND2 ASN A 35 -2.186 1.780 11.638 1.00 0.00 N ATOM 0 H ASN A 35 -0.197 3.339 9.362 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.366 1.354 8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.292 1.562 9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.492 0.074 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.875 1.688 12.605 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.765 2.573 11.362 1.00 0.00 H new ATOM 546 N TRP A 36 -1.375 2.940 6.225 1.00 0.00 N ATOM 547 CA TRP A 36 -1.518 3.119 4.787 1.00 0.00 C ATOM 548 C TRP A 36 -0.337 3.977 4.316 1.00 0.00 C ATOM 549 O TRP A 36 -0.253 5.155 4.671 1.00 0.00 O ATOM 550 CB TRP A 36 -2.861 3.792 4.448 1.00 0.00 C ATOM 551 CG TRP A 36 -4.101 2.953 4.576 1.00 0.00 C ATOM 552 CD1 TRP A 36 -4.776 2.707 5.721 1.00 0.00 C ATOM 553 CD2 TRP A 36 -4.870 2.300 3.518 1.00 0.00 C ATOM 554 NE1 TRP A 36 -5.906 1.962 5.457 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.029 1.703 4.109 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.721 2.165 2.114 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.001 1.032 3.345 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.699 1.507 1.335 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.837 0.942 1.948 1.00 0.00 C ATOM 0 H TRP A 36 -0.988 3.769 6.676 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.514 2.155 4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.975 4.663 5.093 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.806 4.159 3.423 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.474 3.045 6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.565 1.644 6.167 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.845 2.572 1.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.863 0.591 3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.575 1.436 0.265 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.582 0.441 1.347 1.00 0.00 H new ATOM 570 N TYR A 37 0.581 3.405 3.526 1.00 0.00 N ATOM 571 CA TYR A 37 1.812 4.091 3.129 1.00 0.00 C ATOM 572 C TYR A 37 1.529 4.857 1.840 1.00 0.00 C ATOM 573 O TYR A 37 0.967 4.278 0.913 1.00 0.00 O ATOM 574 CB TYR A 37 2.977 3.107 2.893 1.00 0.00 C ATOM 575 CG TYR A 37 3.155 1.958 3.873 1.00 0.00 C ATOM 576 CD1 TYR A 37 2.741 2.064 5.219 1.00 0.00 C ATOM 577 CD2 TYR A 37 3.776 0.772 3.427 1.00 0.00 C ATOM 578 CE1 TYR A 37 2.987 1.004 6.119 1.00 0.00 C ATOM 579 CE2 TYR A 37 4.072 -0.264 4.336 1.00 0.00 C ATOM 580 CZ TYR A 37 3.691 -0.142 5.687 1.00 0.00 C ATOM 581 OH TYR A 37 4.007 -1.131 6.570 1.00 0.00 O ATOM 0 H TYR A 37 0.491 2.462 3.148 1.00 0.00 H new ATOM 0 HA TYR A 37 2.113 4.761 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.856 2.680 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.903 3.683 2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.236 2.956 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.026 0.657 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.637 1.070 7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.590 -1.149 3.998 1.00 0.00 H new ATOM 0 HH TYR A 37 3.943 -0.785 7.485 1.00 0.00 H new ATOM 591 N LYS A 38 1.959 6.121 1.733 1.00 0.00 N ATOM 592 CA LYS A 38 1.724 6.891 0.517 1.00 0.00 C ATOM 593 C LYS A 38 2.912 6.619 -0.411 1.00 0.00 C ATOM 594 O LYS A 38 3.859 7.396 -0.489 1.00 0.00 O ATOM 595 CB LYS A 38 1.534 8.387 0.822 1.00 0.00 C ATOM 596 CG LYS A 38 0.959 9.088 -0.422 1.00 0.00 C ATOM 597 CD LYS A 38 1.089 10.616 -0.380 1.00 0.00 C ATOM 598 CE LYS A 38 2.562 11.054 -0.302 1.00 0.00 C ATOM 599 NZ LYS A 38 2.800 12.316 -1.025 1.00 0.00 N ATOM 0 H LYS A 38 2.463 6.621 2.465 1.00 0.00 H new ATOM 0 HA LYS A 38 0.797 6.587 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.861 8.515 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.487 8.838 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.469 8.712 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.094 8.824 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.627 11.046 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.546 11.005 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.850 11.174 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.196 10.272 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.736 12.691 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.764 12.141 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.068 13.008 -0.766 1.00 0.00 H new ATOM 613 N ALA A 39 2.864 5.450 -1.060 1.00 0.00 N ATOM 614 CA ALA A 39 3.948 4.863 -1.830 1.00 0.00 C ATOM 615 C ALA A 39 3.868 5.228 -3.313 1.00 0.00 C ATOM 616 O ALA A 39 2.781 5.373 -3.875 1.00 0.00 O ATOM 617 CB ALA A 39 3.896 3.343 -1.660 1.00 0.00 C ATOM 0 H ALA A 39 2.027 4.867 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 39 4.892 5.261 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.703 2.885 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.010 3.091 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.938 2.969 -2.021 1.00 0.00 H new ATOM 623 N GLU A 40 5.042 5.331 -3.944 1.00 0.00 N ATOM 624 CA GLU A 40 5.222 5.604 -5.356 1.00 0.00 C ATOM 625 C GLU A 40 5.655 4.323 -6.086 1.00 0.00 C ATOM 626 O GLU A 40 6.534 3.601 -5.612 1.00 0.00 O ATOM 627 CB GLU A 40 6.246 6.738 -5.462 1.00 0.00 C ATOM 628 CG GLU A 40 6.176 7.483 -6.794 1.00 0.00 C ATOM 629 CD GLU A 40 6.718 6.694 -7.983 1.00 0.00 C ATOM 630 OE1 GLU A 40 7.920 6.349 -7.936 1.00 0.00 O ATOM 631 OE2 GLU A 40 5.925 6.462 -8.921 1.00 0.00 O ATOM 0 H GLU A 40 5.929 5.219 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 40 4.296 5.919 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.083 7.444 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.248 6.329 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.138 7.751 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.735 8.415 -6.706 1.00 0.00 H new ATOM 638 N LEU A 41 5.018 4.028 -7.229 1.00 0.00 N ATOM 639 CA LEU A 41 5.278 2.839 -8.036 1.00 0.00 C ATOM 640 C LEU A 41 6.407 3.132 -9.038 1.00 0.00 C ATOM 641 O LEU A 41 7.564 2.798 -8.785 1.00 0.00 O ATOM 642 CB LEU A 41 3.963 2.341 -8.695 1.00 0.00 C ATOM 643 CG LEU A 41 3.822 0.819 -8.578 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.448 0.337 -9.065 1.00 0.00 C ATOM 645 CD2 LEU A 41 4.938 0.057 -9.313 1.00 0.00 C ATOM 0 H LEU A 41 4.292 4.627 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 41 5.626 2.019 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.110 2.825 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.948 2.630 -9.746 1.00 0.00 H new ATOM 0 HG LEU A 41 3.916 0.595 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.387 -0.747 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.666 0.801 -8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.315 0.614 -10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.785 -1.016 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.916 0.312 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.905 0.334 -8.893 1.00 0.00 H new ATOM 657 N ASN A 42 6.052 3.776 -10.157 1.00 0.00 N ATOM 658 CA ASN A 42 6.927 4.274 -11.211 1.00 0.00 C ATOM 659 C ASN A 42 6.085 5.116 -12.191 1.00 0.00 C ATOM 660 O ASN A 42 5.996 4.802 -13.377 1.00 0.00 O ATOM 661 CB ASN A 42 7.659 3.101 -11.903 1.00 0.00 C ATOM 662 CG ASN A 42 8.707 3.561 -12.914 1.00 0.00 C ATOM 663 OD1 ASN A 42 8.592 3.326 -14.114 1.00 0.00 O ATOM 664 ND2 ASN A 42 9.750 4.217 -12.415 1.00 0.00 N ATOM 0 H ASN A 42 5.072 3.974 -10.358 1.00 0.00 H new ATOM 0 HA ASN A 42 7.705 4.915 -10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.141 2.484 -11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.927 2.472 -12.409 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.491 4.544 -13.035 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.810 4.393 -11.412 1.00 0.00 H new ATOM 671 N GLY A 43 5.432 6.170 -11.679 1.00 0.00 N ATOM 672 CA GLY A 43 4.479 6.986 -12.427 1.00 0.00 C ATOM 673 C GLY A 43 3.458 7.696 -11.528 1.00 0.00 C ATOM 674 O GLY A 43 3.125 8.852 -11.790 1.00 0.00 O ATOM 0 H GLY A 43 5.558 6.480 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.024 7.731 -13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.949 6.354 -13.139 1.00 0.00 H new ATOM 678 N LYS A 44 2.942 7.006 -10.496 1.00 0.00 N ATOM 679 CA LYS A 44 1.910 7.505 -9.582 1.00 0.00 C ATOM 680 C LYS A 44 2.335 7.309 -8.118 1.00 0.00 C ATOM 681 O LYS A 44 2.868 6.260 -7.758 1.00 0.00 O ATOM 682 CB LYS A 44 0.559 6.807 -9.858 1.00 0.00 C ATOM 683 CG LYS A 44 -0.547 7.348 -8.930 1.00 0.00 C ATOM 684 CD LYS A 44 -1.927 6.705 -9.142 1.00 0.00 C ATOM 685 CE LYS A 44 -2.912 7.292 -8.115 1.00 0.00 C ATOM 686 NZ LYS A 44 -4.244 6.661 -8.168 1.00 0.00 N ATOM 0 H LYS A 44 3.243 6.058 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 44 1.786 8.574 -9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.273 6.962 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.666 5.732 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.243 7.193 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.635 8.424 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.280 6.896 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.861 5.623 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.499 7.172 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.016 8.363 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.892 7.163 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.612 6.708 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.169 5.666 -7.874 1.00 0.00 H new ATOM 700 N ASP A 45 2.024 8.317 -7.288 1.00 0.00 N ATOM 701 CA ASP A 45 2.113 8.325 -5.832 1.00 0.00 C ATOM 702 C ASP A 45 0.693 8.190 -5.244 1.00 0.00 C ATOM 703 O ASP A 45 -0.212 8.924 -5.646 1.00 0.00 O ATOM 704 CB ASP A 45 2.801 9.633 -5.400 1.00 0.00 C ATOM 705 CG ASP A 45 2.914 9.784 -3.884 1.00 0.00 C ATOM 706 OD1 ASP A 45 3.358 8.810 -3.240 1.00 0.00 O ATOM 707 OD2 ASP A 45 2.556 10.877 -3.391 1.00 0.00 O ATOM 0 H ASP A 45 1.680 9.207 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 45 2.704 7.488 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.799 9.672 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.243 10.479 -5.802 1.00 0.00 H new ATOM 712 N GLY A 46 0.489 7.253 -4.306 1.00 0.00 N ATOM 713 CA GLY A 46 -0.807 7.010 -3.673 1.00 0.00 C ATOM 714 C GLY A 46 -0.733 5.983 -2.534 1.00 0.00 C ATOM 715 O GLY A 46 0.333 5.452 -2.230 1.00 0.00 O ATOM 0 H GLY A 46 1.229 6.639 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.197 7.950 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.513 6.660 -4.426 1.00 0.00 H new ATOM 719 N PHE A 47 -1.881 5.681 -1.912 1.00 0.00 N ATOM 720 CA PHE A 47 -1.955 4.901 -0.676 1.00 0.00 C ATOM 721 C PHE A 47 -2.066 3.386 -0.922 1.00 0.00 C ATOM 722 O PHE A 47 -2.859 2.936 -1.750 1.00 0.00 O ATOM 723 CB PHE A 47 -3.113 5.420 0.195 1.00 0.00 C ATOM 724 CG PHE A 47 -2.831 6.758 0.864 1.00 0.00 C ATOM 725 CD1 PHE A 47 -1.945 6.815 1.965 1.00 0.00 C ATOM 726 CD2 PHE A 47 -3.420 7.947 0.380 1.00 0.00 C ATOM 727 CE1 PHE A 47 -1.674 8.046 2.597 1.00 0.00 C ATOM 728 CE2 PHE A 47 -3.138 9.182 1.003 1.00 0.00 C ATOM 729 CZ PHE A 47 -2.268 9.231 2.114 1.00 0.00 C ATOM 0 H PHE A 47 -2.793 5.977 -2.260 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.014 5.040 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.005 5.515 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.336 4.680 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.474 5.912 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.087 7.911 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.012 8.082 3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.588 10.090 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.057 10.175 2.594 1.00 0.00 H new ATOM 739 N ILE A 48 -1.264 2.614 -0.164 1.00 0.00 N ATOM 740 CA ILE A 48 -1.203 1.152 -0.159 1.00 0.00 C ATOM 741 C ILE A 48 -1.473 0.619 1.263 1.00 0.00 C ATOM 742 O ILE A 48 -0.854 1.101 2.212 1.00 0.00 O ATOM 743 CB ILE A 48 0.144 0.640 -0.727 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.410 1.002 0.075 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.312 1.147 -2.164 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.665 0.321 -0.491 1.00 0.00 C ATOM 0 H ILE A 48 -0.605 3.025 0.498 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.982 0.767 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 48 0.070 -0.446 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.549 2.083 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.276 0.708 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.259 0.789 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.508 0.776 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.305 2.237 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.533 0.604 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.539 -0.761 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.815 0.636 -1.524 1.00 0.00 H new ATOM 758 N PRO A 49 -2.388 -0.356 1.439 1.00 0.00 N ATOM 759 CA PRO A 49 -2.771 -0.890 2.742 1.00 0.00 C ATOM 760 C PRO A 49 -1.687 -1.822 3.306 1.00 0.00 C ATOM 761 O PRO A 49 -1.194 -2.697 2.596 1.00 0.00 O ATOM 762 CB PRO A 49 -4.081 -1.647 2.497 1.00 0.00 C ATOM 763 CG PRO A 49 -3.994 -2.082 1.039 1.00 0.00 C ATOM 764 CD PRO A 49 -3.170 -0.982 0.382 1.00 0.00 C ATOM 0 HA PRO A 49 -2.893 -0.098 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.176 -2.504 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.948 -1.010 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.514 -3.055 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.982 -2.166 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.519 -1.394 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.817 -0.252 -0.105 1.00 0.00 H new ATOM 772 N LYS A 50 -1.350 -1.646 4.594 1.00 0.00 N ATOM 773 CA LYS A 50 -0.331 -2.408 5.325 1.00 0.00 C ATOM 774 C LYS A 50 -0.493 -3.940 5.215 1.00 0.00 C ATOM 775 O LYS A 50 0.508 -4.651 5.163 1.00 0.00 O ATOM 776 CB LYS A 50 -0.308 -1.937 6.791 1.00 0.00 C ATOM 777 CG LYS A 50 0.795 -2.609 7.624 1.00 0.00 C ATOM 778 CD LYS A 50 0.857 -1.990 9.030 1.00 0.00 C ATOM 779 CE LYS A 50 1.831 -2.730 9.959 1.00 0.00 C ATOM 780 NZ LYS A 50 3.224 -2.649 9.487 1.00 0.00 N ATOM 0 H LYS A 50 -1.800 -0.939 5.176 1.00 0.00 H new ATOM 0 HA LYS A 50 0.631 -2.203 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.167 -0.856 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.276 -2.143 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.602 -3.679 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.758 -2.493 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.159 -0.946 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.139 -2.000 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.764 -2.308 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.535 -3.776 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.852 -3.104 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.309 -3.135 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.496 -1.651 9.376 1.00 0.00 H new ATOM 794 N ASN A 51 -1.734 -4.453 5.186 1.00 0.00 N ATOM 795 CA ASN A 51 -2.035 -5.886 5.107 1.00 0.00 C ATOM 796 C ASN A 51 -1.501 -6.536 3.811 1.00 0.00 C ATOM 797 O ASN A 51 -0.893 -7.604 3.864 1.00 0.00 O ATOM 798 CB ASN A 51 -3.554 -6.098 5.285 1.00 0.00 C ATOM 799 CG ASN A 51 -3.979 -7.567 5.415 1.00 0.00 C ATOM 800 OD1 ASN A 51 -3.155 -8.474 5.479 1.00 0.00 O ATOM 801 ND2 ASN A 51 -5.285 -7.818 5.469 1.00 0.00 N ATOM 0 H ASN A 51 -2.570 -3.869 5.218 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.511 -6.393 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.882 -5.558 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.072 -5.657 4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.616 -8.778 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.955 -7.050 5.414 1.00 0.00 H new ATOM 808 N TYR A 52 -1.714 -5.896 2.651 1.00 0.00 N ATOM 809 CA TYR A 52 -1.349 -6.419 1.327 1.00 0.00 C ATOM 810 C TYR A 52 0.168 -6.364 1.027 1.00 0.00 C ATOM 811 O TYR A 52 0.566 -6.667 -0.098 1.00 0.00 O ATOM 812 CB TYR A 52 -2.150 -5.663 0.241 1.00 0.00 C ATOM 813 CG TYR A 52 -3.637 -6.001 0.136 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.519 -5.762 1.216 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.153 -6.541 -1.067 1.00 0.00 C ATOM 816 CE1 TYR A 52 -5.873 -6.143 1.123 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.515 -6.887 -1.172 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.379 -6.678 -0.080 1.00 0.00 C ATOM 819 OH TYR A 52 -7.702 -6.982 -0.201 1.00 0.00 O ATOM 0 H TYR A 52 -2.156 -4.978 2.608 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.607 -7.478 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.055 -4.593 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.686 -5.860 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.154 -5.286 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.497 -6.689 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.525 -6.025 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.896 -7.312 -2.089 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.075 -7.176 0.684 1.00 0.00 H new ATOM 829 N ILE A 53 1.015 -5.978 1.997 1.00 0.00 N ATOM 830 CA ILE A 53 2.443 -5.698 1.820 1.00 0.00 C ATOM 831 C ILE A 53 3.254 -6.047 3.079 1.00 0.00 C ATOM 832 O ILE A 53 2.698 -6.257 4.157 1.00 0.00 O ATOM 833 CB ILE A 53 2.646 -4.210 1.445 1.00 0.00 C ATOM 834 CG1 ILE A 53 2.160 -3.273 2.569 1.00 0.00 C ATOM 835 CG2 ILE A 53 1.976 -3.882 0.103 1.00 0.00 C ATOM 836 CD1 ILE A 53 2.079 -1.805 2.151 1.00 0.00 C ATOM 0 H ILE A 53 0.708 -5.849 2.961 1.00 0.00 H new ATOM 0 HA ILE A 53 2.810 -6.329 1.010 1.00 0.00 H new ATOM 0 HB ILE A 53 3.716 -4.040 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.176 -3.601 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.833 -3.363 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.135 -2.830 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.410 -4.501 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.907 -4.081 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.730 -1.206 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.066 -1.459 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.383 -1.702 1.318 1.00 0.00 H new ATOM 848 N GLU A 54 4.586 -6.076 2.931 1.00 0.00 N ATOM 849 CA GLU A 54 5.542 -6.164 4.037 1.00 0.00 C ATOM 850 C GLU A 54 6.079 -4.763 4.368 1.00 0.00 C ATOM 851 O GLU A 54 5.871 -3.809 3.619 1.00 0.00 O ATOM 852 CB GLU A 54 6.709 -7.106 3.666 1.00 0.00 C ATOM 853 CG GLU A 54 6.214 -8.548 3.451 1.00 0.00 C ATOM 854 CD GLU A 54 7.329 -9.584 3.288 1.00 0.00 C ATOM 855 OE1 GLU A 54 8.518 -9.190 3.320 1.00 0.00 O ATOM 856 OE2 GLU A 54 6.959 -10.769 3.138 1.00 0.00 O ATOM 0 H GLU A 54 5.036 -6.038 2.016 1.00 0.00 H new ATOM 0 HA GLU A 54 5.035 -6.570 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.196 -6.747 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.458 -7.090 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.590 -8.835 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.580 -8.573 2.565 1.00 0.00 H new ATOM 863 N MET A 55 6.797 -4.632 5.491 1.00 0.00 N ATOM 864 CA MET A 55 7.558 -3.428 5.809 1.00 0.00 C ATOM 865 C MET A 55 8.696 -3.319 4.778 1.00 0.00 C ATOM 866 O MET A 55 8.892 -2.270 4.169 1.00 0.00 O ATOM 867 CB MET A 55 8.080 -3.502 7.254 1.00 0.00 C ATOM 868 CG MET A 55 6.977 -3.299 8.310 1.00 0.00 C ATOM 869 SD MET A 55 5.729 -4.611 8.482 1.00 0.00 S ATOM 870 CE MET A 55 6.726 -5.925 9.229 1.00 0.00 C ATOM 0 H MET A 55 6.863 -5.361 6.202 1.00 0.00 H new ATOM 0 HA MET A 55 6.937 -2.534 5.751 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.552 -4.471 7.413 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.851 -2.745 7.394 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.459 -3.164 9.278 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.458 -2.369 8.080 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.088 -6.777 9.464 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.503 -6.235 8.530 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.188 -5.555 10.144 1.00 0.00 H new ATOM 937 N PRO B 3 -8.234 -10.164 1.452 1.00 0.00 N ATOM 938 CA PRO B 3 -7.821 -9.731 2.789 1.00 0.00 C ATOM 939 C PRO B 3 -8.427 -8.375 3.212 1.00 0.00 C ATOM 940 O PRO B 3 -8.588 -7.493 2.369 1.00 0.00 O ATOM 941 CB PRO B 3 -6.287 -9.673 2.753 1.00 0.00 C ATOM 942 CG PRO B 3 -5.929 -10.694 1.676 1.00 0.00 C ATOM 943 CD PRO B 3 -7.061 -10.525 0.663 1.00 0.00 C ATOM 0 HA PRO B 3 -8.188 -10.433 3.538 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.927 -8.676 2.499 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.851 -9.934 3.717 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -4.955 -10.490 1.232 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.891 -11.707 2.075 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.824 -9.750 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.230 -11.446 0.105 1.00 0.00 H new ATOM 951 N PRO B 4 -8.769 -8.181 4.500 1.00 0.00 N ATOM 952 CA PRO B 4 -9.362 -6.941 4.991 1.00 0.00 C ATOM 953 C PRO B 4 -8.289 -5.848 5.134 1.00 0.00 C ATOM 954 O PRO B 4 -7.400 -5.956 5.978 1.00 0.00 O ATOM 955 CB PRO B 4 -9.991 -7.314 6.341 1.00 0.00 C ATOM 956 CG PRO B 4 -9.096 -8.447 6.849 1.00 0.00 C ATOM 957 CD PRO B 4 -8.704 -9.177 5.561 1.00 0.00 C ATOM 0 HA PRO B 4 -10.107 -6.531 4.309 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -9.998 -6.468 7.029 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -11.025 -7.639 6.226 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.223 -8.066 7.379 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -9.627 -9.103 7.539 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.702 -9.598 5.640 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -9.383 -10.006 5.360 1.00 0.00 H new ATOM 965 N VAL B 5 -8.386 -4.772 4.337 1.00 0.00 N ATOM 966 CA VAL B 5 -7.529 -3.589 4.470 1.00 0.00 C ATOM 967 C VAL B 5 -7.739 -2.914 5.845 1.00 0.00 C ATOM 968 O VAL B 5 -8.859 -2.917 6.360 1.00 0.00 O ATOM 969 CB VAL B 5 -7.749 -2.609 3.295 1.00 0.00 C ATOM 970 CG1 VAL B 5 -7.298 -3.217 1.960 1.00 0.00 C ATOM 971 CG2 VAL B 5 -9.196 -2.110 3.165 1.00 0.00 C ATOM 0 H VAL B 5 -9.065 -4.701 3.579 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.488 -3.908 4.423 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.129 -1.745 3.533 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.468 -2.499 1.157 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.237 -3.460 2.011 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.869 -4.124 1.762 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.271 -1.427 2.319 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -9.861 -2.959 3.006 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.485 -1.589 4.078 1.00 0.00 H new ATOM 981 N PRO B 6 -6.681 -2.365 6.476 1.00 0.00 N ATOM 982 CA PRO B 6 -6.727 -1.887 7.855 1.00 0.00 C ATOM 983 C PRO B 6 -7.531 -0.578 7.982 1.00 0.00 C ATOM 984 O PRO B 6 -7.564 0.219 7.042 1.00 0.00 O ATOM 985 CB PRO B 6 -5.261 -1.696 8.266 1.00 0.00 C ATOM 986 CG PRO B 6 -4.582 -1.342 6.943 1.00 0.00 C ATOM 987 CD PRO B 6 -5.340 -2.206 5.934 1.00 0.00 C ATOM 0 HA PRO B 6 -7.237 -2.596 8.507 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -5.148 -0.902 9.004 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -4.843 -2.601 8.706 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.671 -0.280 6.714 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -3.518 -1.577 6.958 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.368 -1.729 4.954 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -4.854 -3.173 5.804 1.00 0.00 H new ATOM 995 N PRO B 7 -8.172 -0.332 9.142 1.00 0.00 N ATOM 996 CA PRO B 7 -8.944 0.878 9.398 1.00 0.00 C ATOM 997 C PRO B 7 -8.002 2.083 9.555 1.00 0.00 C ATOM 998 O PRO B 7 -7.134 2.089 10.428 1.00 0.00 O ATOM 999 CB PRO B 7 -9.737 0.588 10.679 1.00 0.00 C ATOM 1000 CG PRO B 7 -8.840 -0.396 11.433 1.00 0.00 C ATOM 1001 CD PRO B 7 -8.204 -1.211 10.304 1.00 0.00 C ATOM 0 HA PRO B 7 -9.617 1.131 8.579 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -9.914 1.495 11.257 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -10.713 0.155 10.459 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -8.089 0.119 12.032 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -9.413 -1.026 12.113 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -7.199 -1.536 10.575 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -8.784 -2.110 10.097 1.00 0.00 H new ATOM 1009 N ARG B 8 -8.179 3.106 8.705 1.00 0.00 N ATOM 1010 CA ARG B 8 -7.422 4.354 8.751 1.00 0.00 C ATOM 1011 C ARG B 8 -7.845 5.171 9.983 1.00 0.00 C ATOM 1012 O ARG B 8 -7.142 5.190 10.993 1.00 0.00 O ATOM 1013 CB ARG B 8 -7.600 5.102 7.412 1.00 0.00 C ATOM 1014 CG ARG B 8 -6.991 6.515 7.350 1.00 0.00 C ATOM 1015 CD ARG B 8 -5.464 6.556 7.511 1.00 0.00 C ATOM 1016 NE ARG B 8 -5.024 6.323 8.899 1.00 0.00 N ATOM 1017 CZ ARG B 8 -5.041 7.212 9.909 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -5.520 8.449 9.740 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -4.566 6.862 11.108 1.00 0.00 N ATOM 0 H ARG B 8 -8.868 3.082 7.953 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.355 4.165 8.865 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.156 4.500 6.619 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.666 5.176 7.197 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.256 6.970 6.395 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.443 7.127 8.131 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -5.016 5.803 6.862 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -5.095 7.526 7.177 1.00 0.00 H new ATOM 0 HE ARG B 8 -4.670 5.391 9.116 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.883 8.736 8.831 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.523 9.106 10.520 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.193 5.924 11.255 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -4.577 7.533 11.876 1.00 0.00 H new ATOM 1033 N ARG B 9 -9.004 5.830 9.890 1.00 0.00 N ATOM 1034 CA ARG B 9 -9.646 6.601 10.952 1.00 0.00 C ATOM 1035 C ARG B 9 -11.101 6.844 10.526 1.00 0.00 C ATOM 1036 O ARG B 9 -11.401 7.866 9.912 1.00 0.00 O ATOM 1037 CB ARG B 9 -8.864 7.906 11.221 1.00 0.00 C ATOM 1038 CG ARG B 9 -9.493 8.815 12.294 1.00 0.00 C ATOM 1039 CD ARG B 9 -9.629 8.128 13.662 1.00 0.00 C ATOM 1040 NE ARG B 9 -10.172 9.045 14.681 1.00 0.00 N ATOM 1041 CZ ARG B 9 -9.492 9.989 15.355 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -8.185 10.189 15.152 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -10.132 10.747 16.250 1.00 0.00 N ATOM 0 H ARG B 9 -9.546 5.839 9.026 1.00 0.00 H new ATOM 0 HA ARG B 9 -9.644 6.060 11.898 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.850 7.651 11.528 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -8.784 8.466 10.289 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -8.884 9.712 12.404 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -10.478 9.137 11.957 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -10.281 7.259 13.570 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.654 7.762 13.984 1.00 0.00 H new ATOM 0 HE ARG B 9 -11.165 8.954 14.897 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.681 9.619 14.473 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -7.692 10.912 15.676 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -11.128 10.607 16.417 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.624 11.466 16.766 1.00 0.00 H new ATOM 1057 N ARG B 10 -11.974 5.866 10.820 1.00 0.00 N ATOM 1058 CA ARG B 10 -13.358 5.751 10.351 1.00 0.00 C ATOM 1059 C ARG B 10 -13.423 5.325 8.873 1.00 0.00 C ATOM 1060 O ARG B 10 -12.640 5.866 8.061 1.00 0.00 O ATOM 1061 CB ARG B 10 -14.193 7.012 10.670 1.00 0.00 C ATOM 1062 CG ARG B 10 -15.693 6.834 10.364 1.00 0.00 C ATOM 1063 CD ARG B 10 -16.064 7.292 8.942 1.00 0.00 C ATOM 1064 NE ARG B 10 -17.449 6.926 8.598 1.00 0.00 N ATOM 1065 CZ ARG B 10 -17.871 5.718 8.186 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -17.033 4.684 8.053 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -19.164 5.538 7.900 1.00 0.00 N ATOM 1068 OXT ARG B 10 -14.283 4.467 8.570 1.00 0.00 O ATOM 0 H ARG B 10 -11.713 5.090 11.428 1.00 0.00 H new ATOM 0 HA ARG B 10 -13.829 4.947 10.916 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -14.070 7.266 11.723 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -13.807 7.852 10.093 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -15.963 5.785 10.486 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -16.278 7.400 11.089 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -15.943 8.372 8.864 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -15.379 6.841 8.224 1.00 0.00 H new ATOM 0 HE ARG B 10 -18.154 7.658 8.680 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.042 4.800 8.267 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -17.385 3.780 7.738 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -19.820 6.313 7.995 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -19.495 4.625 7.587 1.00 0.00 H new