USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 743 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 57 ASN :FLIP amide:sc= 0.446 F(o=0.51,f=1.1) USER MOD Set 1.2: A 75 TYR OH : rot -175:sc= 0.627 USER MOD Set 2.1: A 7 HIS : no HE2:sc= 0.275 K(o=1.5,f=-2!) USER MOD Set 2.2: A 95 SER OG : rot -125:sc= 1.22 USER MOD Set 3.1: A 3 HIS : no HE2:sc= 1.53 K(o=2.4,f=-5.4!) USER MOD Set 3.2: A 8 HIS : no HE2:sc= 0.873 K(o=2.4,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.958 K(o=0.96,f=-3!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00578) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 51 HIS : no HE2:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00212 K(o=-0.0021,f=-0.51) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.582 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.18) USER MOD Single : A 78 ASN : amide:sc= -0.0297 K(o=-0.03,f=-5.4!) USER MOD Single : A 81 ASN : amide:sc= 1.49 K(o=1.5,f=-0.31) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 96 ASN : amide:sc= -0.376! X(o=-0.38!,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.938 14.224 3.982 1.00 0.00 N ATOM 2 CA MET A 1 -15.558 15.641 3.767 1.00 0.00 C ATOM 3 C MET A 1 -14.277 15.965 4.545 1.00 0.00 C ATOM 4 O MET A 1 -14.208 15.726 5.754 1.00 0.00 O ATOM 5 CB MET A 1 -16.713 16.596 4.148 1.00 0.00 C ATOM 6 CG MET A 1 -16.371 18.081 3.954 1.00 0.00 C ATOM 7 SD MET A 1 -15.814 18.541 2.287 1.00 0.00 S ATOM 8 CE MET A 1 -15.512 20.311 2.551 1.00 0.00 C ATOM 0 H1 MET A 1 -16.807 14.013 3.451 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.171 13.605 3.651 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.103 14.059 4.995 1.00 0.00 H new ATOM 0 HA MET A 1 -15.360 15.791 2.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.589 16.352 3.547 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.984 16.427 5.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.251 18.674 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.593 18.353 4.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.161 20.762 1.623 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.437 20.795 2.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.756 20.440 3.326 1.00 0.00 H new ATOM 20 N GLY A 2 -13.264 16.520 3.866 1.00 0.00 N ATOM 21 CA GLY A 2 -12.052 17.028 4.512 1.00 0.00 C ATOM 22 C GLY A 2 -10.872 17.134 3.552 1.00 0.00 C ATOM 23 O GLY A 2 -10.101 18.091 3.625 1.00 0.00 O ATOM 0 H GLY A 2 -13.264 16.628 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.257 18.010 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.784 16.371 5.339 1.00 0.00 H new ATOM 27 N HIS A 3 -10.747 16.206 2.595 1.00 0.00 N ATOM 28 CA HIS A 3 -9.614 16.180 1.668 1.00 0.00 C ATOM 29 C HIS A 3 -9.545 17.439 0.779 1.00 0.00 C ATOM 30 O HIS A 3 -8.477 17.796 0.284 1.00 0.00 O ATOM 31 CB HIS A 3 -9.650 14.889 0.833 1.00 0.00 C ATOM 32 CG HIS A 3 -8.381 14.600 0.063 1.00 0.00 C ATOM 33 ND1 HIS A 3 -7.139 15.166 0.262 1.00 0.00 N ATOM 34 CD2 HIS A 3 -8.246 13.699 -0.960 1.00 0.00 C ATOM 35 CE1 HIS A 3 -6.290 14.647 -0.636 1.00 0.00 C ATOM 36 NE2 HIS A 3 -6.914 13.728 -1.397 1.00 0.00 N ATOM 0 H HIS A 3 -11.424 15.458 2.444 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.698 16.187 2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.856 14.049 1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.480 14.950 0.129 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.906 15.861 0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.030 13.074 -1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.252 14.927 -0.735 1.00 0.00 H new ATOM 44 N HIS A 4 -10.659 18.166 0.620 1.00 0.00 N ATOM 45 CA HIS A 4 -10.686 19.466 -0.052 1.00 0.00 C ATOM 46 C HIS A 4 -9.842 20.535 0.671 1.00 0.00 C ATOM 47 O HIS A 4 -9.581 21.588 0.084 1.00 0.00 O ATOM 48 CB HIS A 4 -12.142 19.935 -0.206 1.00 0.00 C ATOM 49 CG HIS A 4 -13.011 18.982 -0.996 1.00 0.00 C ATOM 50 ND1 HIS A 4 -14.213 18.442 -0.594 1.00 0.00 N ATOM 51 CD2 HIS A 4 -12.758 18.502 -2.254 1.00 0.00 C ATOM 52 CE1 HIS A 4 -14.670 17.656 -1.583 1.00 0.00 C ATOM 53 NE2 HIS A 4 -13.814 17.656 -2.623 1.00 0.00 N ATOM 0 H HIS A 4 -11.573 17.863 0.958 1.00 0.00 H new ATOM 0 HA HIS A 4 -10.233 19.335 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -12.576 20.072 0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.150 20.909 -0.695 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -14.676 18.610 0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.894 18.735 -2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.596 17.101 -1.549 1.00 0.00 H new ATOM 61 N HIS A 5 -9.407 20.288 1.914 1.00 0.00 N ATOM 62 CA HIS A 5 -8.637 21.224 2.730 1.00 0.00 C ATOM 63 C HIS A 5 -7.396 20.569 3.362 1.00 0.00 C ATOM 64 O HIS A 5 -6.436 21.283 3.664 1.00 0.00 O ATOM 65 CB HIS A 5 -9.569 21.809 3.805 1.00 0.00 C ATOM 66 CG HIS A 5 -8.945 22.912 4.627 1.00 0.00 C ATOM 67 ND1 HIS A 5 -8.610 22.852 5.962 1.00 0.00 N ATOM 68 CD2 HIS A 5 -8.605 24.163 4.182 1.00 0.00 C ATOM 69 CE1 HIS A 5 -8.079 24.037 6.312 1.00 0.00 C ATOM 70 NE2 HIS A 5 -8.055 24.875 5.258 1.00 0.00 N ATOM 0 H HIS A 5 -9.589 19.404 2.389 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.258 22.021 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.467 22.194 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -9.885 21.007 4.472 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.738 24.536 3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.721 24.283 7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.707 25.834 5.245 1.00 0.00 H new ATOM 78 N HIS A 6 -7.369 19.241 3.540 1.00 0.00 N ATOM 79 CA HIS A 6 -6.272 18.532 4.201 1.00 0.00 C ATOM 80 C HIS A 6 -5.951 17.199 3.505 1.00 0.00 C ATOM 81 O HIS A 6 -6.395 16.943 2.384 1.00 0.00 O ATOM 82 CB HIS A 6 -6.588 18.389 5.706 1.00 0.00 C ATOM 83 CG HIS A 6 -7.810 17.575 6.073 1.00 0.00 C ATOM 84 ND1 HIS A 6 -8.087 16.269 5.726 1.00 0.00 N ATOM 85 CD2 HIS A 6 -8.809 17.978 6.920 1.00 0.00 C ATOM 86 CE1 HIS A 6 -9.217 15.901 6.350 1.00 0.00 C ATOM 87 NE2 HIS A 6 -9.701 16.912 7.092 1.00 0.00 N ATOM 0 H HIS A 6 -8.118 18.625 3.224 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.356 19.116 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.722 17.941 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.707 19.388 6.124 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.530 15.684 5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.894 18.953 7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.675 14.926 6.267 1.00 0.00 H new ATOM 95 N HIS A 7 -5.147 16.364 4.168 1.00 0.00 N ATOM 96 CA HIS A 7 -4.749 15.013 3.767 1.00 0.00 C ATOM 97 C HIS A 7 -5.957 14.104 3.478 1.00 0.00 C ATOM 98 O HIS A 7 -7.087 14.431 3.848 1.00 0.00 O ATOM 99 CB HIS A 7 -3.825 14.425 4.856 1.00 0.00 C ATOM 100 CG HIS A 7 -4.173 14.831 6.273 1.00 0.00 C ATOM 101 ND1 HIS A 7 -5.174 14.317 7.070 1.00 0.00 N ATOM 102 CD2 HIS A 7 -3.559 15.822 6.995 1.00 0.00 C ATOM 103 CE1 HIS A 7 -5.154 14.980 8.239 1.00 0.00 C ATOM 104 NE2 HIS A 7 -4.188 15.918 8.241 1.00 0.00 N ATOM 0 H HIS A 7 -4.729 16.632 5.059 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.203 15.071 2.825 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.853 13.338 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.800 14.731 4.647 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -5.816 13.566 6.817 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.730 16.426 6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.822 14.787 9.065 1.00 0.00 H new ATOM 112 N HIS A 8 -5.705 12.954 2.837 1.00 0.00 N ATOM 113 CA HIS A 8 -6.728 12.060 2.285 1.00 0.00 C ATOM 114 C HIS A 8 -7.852 11.713 3.265 1.00 0.00 C ATOM 115 O HIS A 8 -9.017 11.660 2.871 1.00 0.00 O ATOM 116 CB HIS A 8 -6.083 10.757 1.782 1.00 0.00 C ATOM 117 CG HIS A 8 -4.988 10.912 0.753 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.045 11.638 -0.415 1.00 0.00 N ATOM 119 CD2 HIS A 8 -3.764 10.295 0.780 1.00 0.00 C ATOM 120 CE1 HIS A 8 -3.881 11.475 -1.067 1.00 0.00 C ATOM 121 NE2 HIS A 8 -3.061 10.660 -0.376 1.00 0.00 N ATOM 0 H HIS A 8 -4.756 12.612 2.685 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.184 12.613 1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.675 10.223 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.866 10.128 1.358 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -5.834 12.202 -0.731 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.403 9.640 1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.637 11.934 -2.014 1.00 0.00 H new ATOM 129 N LEU A 9 -7.502 11.466 4.528 1.00 0.00 N ATOM 130 CA LEU A 9 -8.417 11.088 5.594 1.00 0.00 C ATOM 131 C LEU A 9 -7.942 11.714 6.899 1.00 0.00 C ATOM 132 O LEU A 9 -6.746 11.960 7.079 1.00 0.00 O ATOM 133 CB LEU A 9 -8.423 9.556 5.748 1.00 0.00 C ATOM 134 CG LEU A 9 -9.301 8.791 4.737 1.00 0.00 C ATOM 135 CD1 LEU A 9 -9.142 7.284 4.968 1.00 0.00 C ATOM 136 CD2 LEU A 9 -10.790 9.146 4.854 1.00 0.00 C ATOM 0 H LEU A 9 -6.534 11.528 4.844 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.422 11.436 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.398 9.195 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.761 9.311 6.755 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.966 9.080 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.761 6.739 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.098 7.003 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.454 7.037 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.359 8.577 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.145 8.901 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.925 10.212 4.672 1.00 0.00 H new ATOM 148 N ASP A 10 -8.882 11.916 7.819 1.00 0.00 N ATOM 149 CA ASP A 10 -8.654 12.394 9.185 1.00 0.00 C ATOM 150 C ASP A 10 -9.664 11.785 10.175 1.00 0.00 C ATOM 151 O ASP A 10 -9.414 11.741 11.381 1.00 0.00 O ATOM 152 CB ASP A 10 -8.809 13.914 9.170 1.00 0.00 C ATOM 153 CG ASP A 10 -8.614 14.541 10.558 1.00 0.00 C ATOM 154 OD1 ASP A 10 -7.452 14.627 11.015 1.00 0.00 O ATOM 155 OD2 ASP A 10 -9.609 14.991 11.171 1.00 0.00 O ATOM 0 H ASP A 10 -9.869 11.744 7.626 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.658 12.096 9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.085 14.343 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.800 14.171 8.795 1.00 0.00 H new ATOM 160 N SER A 11 -10.811 11.322 9.665 1.00 0.00 N ATOM 161 CA SER A 11 -11.920 10.739 10.410 1.00 0.00 C ATOM 162 C SER A 11 -11.542 9.411 11.091 1.00 0.00 C ATOM 163 O SER A 11 -10.565 8.759 10.724 1.00 0.00 O ATOM 164 CB SER A 11 -13.086 10.523 9.429 1.00 0.00 C ATOM 165 OG SER A 11 -13.235 11.634 8.554 1.00 0.00 O ATOM 0 H SER A 11 -10.995 11.348 8.662 1.00 0.00 H new ATOM 0 HA SER A 11 -12.202 11.423 11.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.911 9.619 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.010 10.369 9.987 1.00 0.00 H new ATOM 0 HG SER A 11 -13.981 11.470 7.941 1.00 0.00 H new ATOM 171 N TYR A 12 -12.368 8.975 12.050 1.00 0.00 N ATOM 172 CA TYR A 12 -12.176 7.724 12.788 1.00 0.00 C ATOM 173 C TYR A 12 -12.310 6.464 11.913 1.00 0.00 C ATOM 174 O TYR A 12 -11.907 5.382 12.346 1.00 0.00 O ATOM 175 CB TYR A 12 -13.163 7.667 13.967 1.00 0.00 C ATOM 176 CG TYR A 12 -14.632 7.633 13.574 1.00 0.00 C ATOM 177 CD1 TYR A 12 -15.248 6.408 13.249 1.00 0.00 C ATOM 178 CD2 TYR A 12 -15.383 8.825 13.525 1.00 0.00 C ATOM 179 CE1 TYR A 12 -16.599 6.372 12.858 1.00 0.00 C ATOM 180 CE2 TYR A 12 -16.735 8.797 13.136 1.00 0.00 C ATOM 181 CZ TYR A 12 -17.350 7.568 12.797 1.00 0.00 C ATOM 182 OH TYR A 12 -18.657 7.522 12.417 1.00 0.00 O ATOM 0 H TYR A 12 -13.200 9.490 12.338 1.00 0.00 H new ATOM 0 HA TYR A 12 -11.149 7.726 13.153 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.942 6.783 14.564 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.993 8.534 14.606 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -14.680 5.491 13.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -14.919 9.764 13.787 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -17.063 5.430 12.604 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -17.304 9.714 13.096 1.00 0.00 H new ATOM 0 HH TYR A 12 -19.033 8.427 12.427 1.00 0.00 H new ATOM 192 N ALA A 13 -12.906 6.573 10.717 1.00 0.00 N ATOM 193 CA ALA A 13 -13.126 5.442 9.821 1.00 0.00 C ATOM 194 C ALA A 13 -11.793 4.762 9.442 1.00 0.00 C ATOM 195 O ALA A 13 -10.785 5.463 9.299 1.00 0.00 O ATOM 196 CB ALA A 13 -13.861 5.922 8.563 1.00 0.00 C ATOM 0 H ALA A 13 -13.250 7.459 10.346 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.738 4.702 10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.026 5.078 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.821 6.354 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.259 6.676 8.055 1.00 0.00 H new ATOM 202 N PRO A 14 -11.768 3.428 9.240 1.00 0.00 N ATOM 203 CA PRO A 14 -10.594 2.708 8.751 1.00 0.00 C ATOM 204 C PRO A 14 -10.011 3.328 7.474 1.00 0.00 C ATOM 205 O PRO A 14 -10.751 3.767 6.588 1.00 0.00 O ATOM 206 CB PRO A 14 -11.060 1.269 8.500 1.00 0.00 C ATOM 207 CG PRO A 14 -12.235 1.103 9.459 1.00 0.00 C ATOM 208 CD PRO A 14 -12.861 2.495 9.482 1.00 0.00 C ATOM 0 HA PRO A 14 -9.788 2.754 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.364 1.120 7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.268 0.549 8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.940 0.350 9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.906 0.793 10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.632 2.589 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.338 2.693 10.442 1.00 0.00 H new ATOM 216 N ARG A 15 -8.677 3.319 7.357 1.00 0.00 N ATOM 217 CA ARG A 15 -7.980 3.835 6.174 1.00 0.00 C ATOM 218 C ARG A 15 -7.892 2.816 5.039 1.00 0.00 C ATOM 219 O ARG A 15 -7.516 3.197 3.929 1.00 0.00 O ATOM 220 CB ARG A 15 -6.573 4.318 6.555 1.00 0.00 C ATOM 221 CG ARG A 15 -6.610 5.567 7.445 1.00 0.00 C ATOM 222 CD ARG A 15 -5.222 6.205 7.562 1.00 0.00 C ATOM 223 NE ARG A 15 -5.322 7.477 8.292 1.00 0.00 N ATOM 224 CZ ARG A 15 -5.059 8.697 7.813 1.00 0.00 C ATOM 225 NH1 ARG A 15 -4.271 8.871 6.754 1.00 0.00 N ATOM 226 NH2 ARG A 15 -5.611 9.744 8.403 1.00 0.00 N ATOM 0 H ARG A 15 -8.053 2.955 8.077 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.572 4.672 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.045 3.519 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.008 4.536 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.312 6.291 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.975 5.300 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.543 5.529 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.805 6.376 6.570 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.623 7.423 9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.854 8.064 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.084 9.812 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.224 9.612 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.424 10.684 8.054 1.00 0.00 H new ATOM 240 N ALA A 16 -8.182 1.539 5.306 1.00 0.00 N ATOM 241 CA ALA A 16 -8.206 0.499 4.286 1.00 0.00 C ATOM 242 C ALA A 16 -9.301 0.785 3.252 1.00 0.00 C ATOM 243 O ALA A 16 -10.285 1.474 3.531 1.00 0.00 O ATOM 244 CB ALA A 16 -8.422 -0.869 4.942 1.00 0.00 C ATOM 0 H ALA A 16 -8.407 1.201 6.242 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.247 0.490 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.439 -1.642 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.610 -1.070 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.371 -0.870 5.478 1.00 0.00 H new ATOM 250 N GLU A 17 -9.155 0.176 2.080 1.00 0.00 N ATOM 251 CA GLU A 17 -10.086 0.219 0.959 1.00 0.00 C ATOM 252 C GLU A 17 -10.358 -1.226 0.510 1.00 0.00 C ATOM 253 O GLU A 17 -9.657 -2.154 0.926 1.00 0.00 O ATOM 254 CB GLU A 17 -9.485 1.068 -0.177 1.00 0.00 C ATOM 255 CG GLU A 17 -9.317 2.547 0.209 1.00 0.00 C ATOM 256 CD GLU A 17 -8.690 3.354 -0.939 1.00 0.00 C ATOM 257 OE1 GLU A 17 -7.445 3.394 -1.040 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.444 3.961 -1.736 1.00 0.00 O ATOM 0 H GLU A 17 -8.335 -0.395 1.876 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.030 0.682 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.515 0.658 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.126 0.997 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.288 2.971 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.689 2.625 1.097 1.00 0.00 H new ATOM 265 N ALA A 18 -11.393 -1.430 -0.314 1.00 0.00 N ATOM 266 CA ALA A 18 -11.822 -2.757 -0.748 1.00 0.00 C ATOM 267 C ALA A 18 -10.705 -3.499 -1.494 1.00 0.00 C ATOM 268 O ALA A 18 -9.886 -2.886 -2.187 1.00 0.00 O ATOM 269 CB ALA A 18 -13.066 -2.634 -1.636 1.00 0.00 C ATOM 0 H ALA A 18 -11.957 -0.672 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.065 -3.341 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.383 -3.626 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.870 -2.161 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.830 -2.027 -2.510 1.00 0.00 H new ATOM 275 N GLU A 19 -10.702 -4.828 -1.379 1.00 0.00 N ATOM 276 CA GLU A 19 -9.779 -5.704 -2.085 1.00 0.00 C ATOM 277 C GLU A 19 -9.985 -5.598 -3.602 1.00 0.00 C ATOM 278 O GLU A 19 -11.099 -5.344 -4.075 1.00 0.00 O ATOM 279 CB GLU A 19 -9.974 -7.171 -1.653 1.00 0.00 C ATOM 280 CG GLU A 19 -9.625 -7.475 -0.186 1.00 0.00 C ATOM 281 CD GLU A 19 -10.629 -6.968 0.868 1.00 0.00 C ATOM 282 OE1 GLU A 19 -11.783 -6.609 0.536 1.00 0.00 O ATOM 283 OE2 GLU A 19 -10.256 -6.954 2.063 1.00 0.00 O ATOM 0 H GLU A 19 -11.356 -5.331 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.767 -5.387 -1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.013 -7.449 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.362 -7.806 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.525 -8.555 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.650 -7.040 0.032 1.00 0.00 H new ATOM 290 N LYS A 20 -8.925 -5.869 -4.368 1.00 0.00 N ATOM 291 CA LYS A 20 -8.954 -5.992 -5.825 1.00 0.00 C ATOM 292 C LYS A 20 -7.907 -7.035 -6.215 1.00 0.00 C ATOM 293 O LYS A 20 -6.861 -7.124 -5.568 1.00 0.00 O ATOM 294 CB LYS A 20 -8.679 -4.598 -6.430 1.00 0.00 C ATOM 295 CG LYS A 20 -8.463 -4.547 -7.950 1.00 0.00 C ATOM 296 CD LYS A 20 -9.687 -4.978 -8.773 1.00 0.00 C ATOM 297 CE LYS A 20 -9.339 -4.905 -10.266 1.00 0.00 C ATOM 298 NZ LYS A 20 -10.486 -5.272 -11.133 1.00 0.00 N ATOM 0 H LYS A 20 -7.994 -6.013 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.919 -6.325 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.516 -3.946 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.796 -4.182 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.188 -3.531 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.621 -5.189 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.982 -5.992 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.535 -4.330 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.011 -3.895 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.502 -5.571 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.201 -5.207 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.784 -6.245 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.277 -4.621 -10.956 1.00 0.00 H new ATOM 312 N THR A 21 -8.188 -7.849 -7.230 1.00 0.00 N ATOM 313 CA THR A 21 -7.246 -8.831 -7.752 1.00 0.00 C ATOM 314 C THR A 21 -6.248 -8.121 -8.675 1.00 0.00 C ATOM 315 O THR A 21 -6.638 -7.249 -9.455 1.00 0.00 O ATOM 316 CB THR A 21 -8.014 -9.945 -8.491 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.195 -10.285 -7.781 1.00 0.00 O ATOM 318 CG2 THR A 21 -7.158 -11.209 -8.641 1.00 0.00 C ATOM 0 H THR A 21 -9.085 -7.844 -7.716 1.00 0.00 H new ATOM 0 HA THR A 21 -6.690 -9.297 -6.938 1.00 0.00 H new ATOM 0 HB THR A 21 -8.265 -9.562 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.674 -10.992 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.729 -11.975 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.258 -10.974 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.878 -11.578 -7.654 1.00 0.00 H new ATOM 326 N PHE A 22 -4.980 -8.529 -8.622 1.00 0.00 N ATOM 327 CA PHE A 22 -3.905 -8.024 -9.462 1.00 0.00 C ATOM 328 C PHE A 22 -3.034 -9.196 -9.915 1.00 0.00 C ATOM 329 O PHE A 22 -3.049 -10.276 -9.316 1.00 0.00 O ATOM 330 CB PHE A 22 -3.062 -6.996 -8.687 1.00 0.00 C ATOM 331 CG PHE A 22 -3.804 -5.732 -8.292 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.887 -4.646 -9.186 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.406 -5.634 -7.026 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.550 -3.465 -8.805 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.064 -4.454 -6.643 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.133 -3.365 -7.530 1.00 0.00 C ATOM 0 H PHE A 22 -4.667 -9.246 -7.968 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.327 -7.528 -10.336 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.675 -7.470 -7.785 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.201 -6.720 -9.296 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.440 -4.720 -10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.362 -6.470 -6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.611 -2.635 -9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.518 -4.383 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.632 -2.455 -7.232 1.00 0.00 H new ATOM 346 N SER A 23 -2.268 -8.954 -10.974 1.00 0.00 N ATOM 347 CA SER A 23 -1.292 -9.846 -11.578 1.00 0.00 C ATOM 348 C SER A 23 -0.291 -8.966 -12.339 1.00 0.00 C ATOM 349 O SER A 23 -0.468 -7.744 -12.396 1.00 0.00 O ATOM 350 CB SER A 23 -1.989 -10.878 -12.481 1.00 0.00 C ATOM 351 OG SER A 23 -2.950 -10.281 -13.340 1.00 0.00 O ATOM 0 H SER A 23 -2.319 -8.062 -11.467 1.00 0.00 H new ATOM 0 HA SER A 23 -0.760 -10.428 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.241 -11.396 -13.081 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.477 -11.630 -11.860 1.00 0.00 H new ATOM 0 HG SER A 23 -3.366 -10.972 -13.896 1.00 0.00 H new ATOM 357 N TYR A 24 0.764 -9.559 -12.904 1.00 0.00 N ATOM 358 CA TYR A 24 1.881 -8.835 -13.505 1.00 0.00 C ATOM 359 C TYR A 24 2.310 -9.553 -14.800 1.00 0.00 C ATOM 360 O TYR A 24 1.976 -10.731 -14.957 1.00 0.00 O ATOM 361 CB TYR A 24 3.027 -8.772 -12.480 1.00 0.00 C ATOM 362 CG TYR A 24 2.634 -8.176 -11.140 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.488 -6.784 -11.001 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.354 -9.025 -10.050 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.035 -6.239 -9.787 1.00 0.00 C ATOM 366 CE2 TYR A 24 1.884 -8.492 -8.835 1.00 0.00 C ATOM 367 CZ TYR A 24 1.716 -7.091 -8.704 1.00 0.00 C ATOM 368 OH TYR A 24 1.243 -6.543 -7.550 1.00 0.00 O ATOM 0 H TYR A 24 0.865 -10.573 -12.956 1.00 0.00 H new ATOM 0 HA TYR A 24 1.595 -7.816 -13.768 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.410 -9.780 -12.318 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.843 -8.185 -12.901 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.725 -6.132 -11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.501 -10.090 -10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.930 -5.169 -9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.653 -9.147 -8.008 1.00 0.00 H new ATOM 0 HH TYR A 24 0.644 -7.180 -7.107 1.00 0.00 H new ATOM 378 N PRO A 25 3.050 -8.904 -15.725 1.00 0.00 N ATOM 379 CA PRO A 25 3.415 -7.488 -15.722 1.00 0.00 C ATOM 380 C PRO A 25 2.174 -6.593 -15.845 1.00 0.00 C ATOM 381 O PRO A 25 1.187 -6.957 -16.490 1.00 0.00 O ATOM 382 CB PRO A 25 4.373 -7.305 -16.904 1.00 0.00 C ATOM 383 CG PRO A 25 3.968 -8.412 -17.875 1.00 0.00 C ATOM 384 CD PRO A 25 3.531 -9.542 -16.944 1.00 0.00 C ATOM 0 HA PRO A 25 3.890 -7.196 -14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.268 -6.318 -17.355 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.414 -7.405 -16.595 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.159 -8.096 -18.533 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.799 -8.713 -18.513 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.747 -10.143 -17.404 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.363 -10.213 -16.730 1.00 0.00 H new ATOM 392 N LEU A 26 2.223 -5.434 -15.188 1.00 0.00 N ATOM 393 CA LEU A 26 1.141 -4.461 -15.078 1.00 0.00 C ATOM 394 C LEU A 26 1.781 -3.119 -14.701 1.00 0.00 C ATOM 395 O LEU A 26 2.916 -3.091 -14.219 1.00 0.00 O ATOM 396 CB LEU A 26 0.148 -4.942 -13.996 1.00 0.00 C ATOM 397 CG LEU A 26 -1.112 -4.082 -13.775 1.00 0.00 C ATOM 398 CD1 LEU A 26 -1.958 -3.942 -15.046 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.975 -4.695 -12.668 1.00 0.00 C ATOM 0 H LEU A 26 3.063 -5.135 -14.693 1.00 0.00 H new ATOM 0 HA LEU A 26 0.588 -4.351 -16.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.171 -5.952 -14.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.684 -5.009 -13.049 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.770 -3.087 -13.489 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.833 -3.327 -14.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.364 -3.471 -15.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.280 -4.929 -15.379 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.863 -4.082 -12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.274 -5.703 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.402 -4.737 -11.742 1.00 0.00 H new ATOM 411 N ASP A 27 1.062 -2.011 -14.897 1.00 0.00 N ATOM 412 CA ASP A 27 1.523 -0.672 -14.515 1.00 0.00 C ATOM 413 C ASP A 27 1.760 -0.541 -13.003 1.00 0.00 C ATOM 414 O ASP A 27 2.617 0.237 -12.587 1.00 0.00 O ATOM 415 CB ASP A 27 0.499 0.372 -14.972 1.00 0.00 C ATOM 416 CG ASP A 27 0.946 1.799 -14.609 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.891 2.317 -15.247 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.316 2.423 -13.728 1.00 0.00 O ATOM 0 H ASP A 27 0.138 -2.017 -15.328 1.00 0.00 H new ATOM 0 HA ASP A 27 2.481 -0.503 -15.007 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.358 0.297 -16.050 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.466 0.163 -14.510 1.00 0.00 H new ATOM 423 N LEU A 28 1.029 -1.313 -12.186 1.00 0.00 N ATOM 424 CA LEU A 28 1.192 -1.349 -10.734 1.00 0.00 C ATOM 425 C LEU A 28 2.632 -1.731 -10.375 1.00 0.00 C ATOM 426 O LEU A 28 3.110 -2.792 -10.783 1.00 0.00 O ATOM 427 CB LEU A 28 0.188 -2.333 -10.103 1.00 0.00 C ATOM 428 CG LEU A 28 0.358 -2.510 -8.576 1.00 0.00 C ATOM 429 CD1 LEU A 28 0.200 -1.194 -7.800 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.671 -3.517 -8.059 1.00 0.00 C ATOM 0 H LEU A 28 0.298 -1.938 -12.525 1.00 0.00 H new ATOM 0 HA LEU A 28 0.989 -0.356 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.824 -1.985 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.295 -3.305 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 28 1.374 -2.869 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.330 -1.382 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.952 -0.480 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.794 -0.784 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.550 -3.641 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.676 -3.152 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.521 -4.477 -8.554 1.00 0.00 H new ATOM 442 N LEU A 29 3.290 -0.907 -9.559 1.00 0.00 N ATOM 443 CA LEU A 29 4.602 -1.172 -8.973 1.00 0.00 C ATOM 444 C LEU A 29 4.635 -0.506 -7.597 1.00 0.00 C ATOM 445 O LEU A 29 3.966 0.511 -7.398 1.00 0.00 O ATOM 446 CB LEU A 29 5.698 -0.611 -9.902 1.00 0.00 C ATOM 447 CG LEU A 29 7.150 -0.863 -9.440 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.473 -2.359 -9.305 1.00 0.00 C ATOM 449 CD2 LEU A 29 8.126 -0.238 -10.442 1.00 0.00 C ATOM 0 H LEU A 29 2.909 -0.004 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 29 4.783 -2.241 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.569 -1.047 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.549 0.464 -10.005 1.00 0.00 H new ATOM 0 HG LEU A 29 7.256 -0.405 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.506 -2.480 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.805 -2.811 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.338 -2.849 -10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.150 -0.417 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.976 -0.687 -11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.947 0.836 -10.503 1.00 0.00 H new ATOM 461 N LEU A 30 5.420 -1.044 -6.660 1.00 0.00 N ATOM 462 CA LEU A 30 5.536 -0.549 -5.287 1.00 0.00 C ATOM 463 C LEU A 30 6.993 -0.175 -4.997 1.00 0.00 C ATOM 464 O LEU A 30 7.902 -0.729 -5.620 1.00 0.00 O ATOM 465 CB LEU A 30 5.091 -1.610 -4.258 1.00 0.00 C ATOM 466 CG LEU A 30 3.689 -2.231 -4.413 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.420 -3.152 -3.218 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.567 -1.194 -4.496 1.00 0.00 C ATOM 0 H LEU A 30 6.008 -1.858 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 30 4.886 0.321 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.819 -2.421 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.147 -1.158 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 30 3.688 -2.778 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.430 -3.597 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.172 -3.941 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.467 -2.574 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.609 -1.702 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.558 -0.594 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.733 -0.546 -5.357 1.00 0.00 H new ATOM 480 N LYS A 31 7.225 0.720 -4.028 1.00 0.00 N ATOM 481 CA LYS A 31 8.560 1.013 -3.493 1.00 0.00 C ATOM 482 C LYS A 31 8.495 1.056 -1.971 1.00 0.00 C ATOM 483 O LYS A 31 7.447 1.387 -1.417 1.00 0.00 O ATOM 484 CB LYS A 31 9.171 2.296 -4.102 1.00 0.00 C ATOM 485 CG LYS A 31 8.824 3.652 -3.448 1.00 0.00 C ATOM 486 CD LYS A 31 7.344 4.058 -3.533 1.00 0.00 C ATOM 487 CE LYS A 31 7.044 5.416 -2.869 1.00 0.00 C ATOM 488 NZ LYS A 31 7.717 6.561 -3.540 1.00 0.00 N ATOM 0 H LYS A 31 6.484 1.266 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 31 9.238 0.211 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.255 2.187 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.869 2.344 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.115 3.616 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.425 4.429 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.046 4.100 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.736 3.288 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.967 5.584 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.358 5.380 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.448 7.447 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.748 6.438 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.425 6.599 -4.538 1.00 0.00 H new ATOM 502 N LEU A 32 9.601 0.733 -1.301 1.00 0.00 N ATOM 503 CA LEU A 32 9.718 0.848 0.152 1.00 0.00 C ATOM 504 C LEU A 32 9.952 2.329 0.459 1.00 0.00 C ATOM 505 O LEU A 32 10.886 2.923 -0.084 1.00 0.00 O ATOM 506 CB LEU A 32 10.864 -0.055 0.657 1.00 0.00 C ATOM 507 CG LEU A 32 10.832 -0.413 2.159 1.00 0.00 C ATOM 508 CD1 LEU A 32 11.939 -1.439 2.440 1.00 0.00 C ATOM 509 CD2 LEU A 32 11.032 0.774 3.110 1.00 0.00 C ATOM 0 H LEU A 32 10.445 0.382 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 32 8.818 0.512 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.850 -0.981 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.811 0.439 0.442 1.00 0.00 H new ATOM 0 HG LEU A 32 9.832 -0.800 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.930 -1.703 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.767 -2.333 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.907 -1.010 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.994 0.424 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.001 1.234 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.243 1.508 2.946 1.00 0.00 H new ATOM 521 N HIS A 33 9.112 2.928 1.301 1.00 0.00 N ATOM 522 CA HIS A 33 9.226 4.315 1.733 1.00 0.00 C ATOM 523 C HIS A 33 8.583 4.443 3.114 1.00 0.00 C ATOM 524 O HIS A 33 7.552 3.823 3.371 1.00 0.00 O ATOM 525 CB HIS A 33 8.519 5.222 0.714 1.00 0.00 C ATOM 526 CG HIS A 33 8.594 6.689 1.056 1.00 0.00 C ATOM 527 ND1 HIS A 33 7.654 7.419 1.751 1.00 0.00 N ATOM 528 CD2 HIS A 33 9.622 7.542 0.752 1.00 0.00 C ATOM 529 CE1 HIS A 33 8.106 8.680 1.864 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.307 8.807 1.267 1.00 0.00 N ATOM 0 H HIS A 33 8.312 2.446 1.711 1.00 0.00 H new ATOM 0 HA HIS A 33 10.271 4.618 1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.962 5.064 -0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.472 4.927 0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.520 7.284 0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.580 9.480 2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.873 9.653 1.203 1.00 0.00 H new ATOM 538 N ASP A 34 9.175 5.265 3.987 1.00 0.00 N ATOM 539 CA ASP A 34 8.732 5.506 5.367 1.00 0.00 C ATOM 540 C ASP A 34 8.438 4.195 6.119 1.00 0.00 C ATOM 541 O ASP A 34 7.411 4.044 6.782 1.00 0.00 O ATOM 542 CB ASP A 34 7.575 6.521 5.392 1.00 0.00 C ATOM 543 CG ASP A 34 7.194 6.940 6.824 1.00 0.00 C ATOM 544 OD1 ASP A 34 8.095 7.227 7.646 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.983 7.058 7.121 1.00 0.00 O ATOM 0 H ASP A 34 10.008 5.802 3.744 1.00 0.00 H new ATOM 0 HA ASP A 34 9.552 5.961 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.858 7.405 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.705 6.088 4.899 1.00 0.00 H new ATOM 550 N GLU A 35 9.340 3.216 5.958 1.00 0.00 N ATOM 551 CA GLU A 35 9.268 1.856 6.509 1.00 0.00 C ATOM 552 C GLU A 35 8.037 1.033 6.076 1.00 0.00 C ATOM 553 O GLU A 35 7.863 -0.102 6.535 1.00 0.00 O ATOM 554 CB GLU A 35 9.471 1.886 8.039 1.00 0.00 C ATOM 555 CG GLU A 35 10.952 2.051 8.419 1.00 0.00 C ATOM 556 CD GLU A 35 11.241 1.449 9.804 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.266 0.200 9.908 1.00 0.00 O ATOM 558 OE2 GLU A 35 11.453 2.205 10.780 1.00 0.00 O ATOM 0 H GLU A 35 10.187 3.361 5.409 1.00 0.00 H new ATOM 0 HA GLU A 35 10.094 1.305 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.893 2.706 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.085 0.964 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.578 1.566 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.215 3.109 8.417 1.00 0.00 H new ATOM 565 N ARG A 36 7.231 1.551 5.150 1.00 0.00 N ATOM 566 CA ARG A 36 6.084 0.895 4.535 1.00 0.00 C ATOM 567 C ARG A 36 6.456 0.588 3.080 1.00 0.00 C ATOM 568 O ARG A 36 7.562 0.898 2.636 1.00 0.00 O ATOM 569 CB ARG A 36 4.877 1.863 4.648 1.00 0.00 C ATOM 570 CG ARG A 36 3.473 1.243 4.499 1.00 0.00 C ATOM 571 CD ARG A 36 3.078 0.398 5.716 1.00 0.00 C ATOM 572 NE ARG A 36 1.984 -0.539 5.406 1.00 0.00 N ATOM 573 CZ ARG A 36 1.499 -1.460 6.247 1.00 0.00 C ATOM 574 NH1 ARG A 36 1.832 -1.466 7.538 1.00 0.00 N ATOM 575 NH2 ARG A 36 0.683 -2.392 5.781 1.00 0.00 N ATOM 0 H ARG A 36 7.372 2.495 4.790 1.00 0.00 H new ATOM 0 HA ARG A 36 5.814 -0.042 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.928 2.359 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.989 2.636 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.740 2.038 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.446 0.622 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.946 -0.161 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.773 1.055 6.530 1.00 0.00 H new ATOM 0 HE ARG A 36 1.564 -0.481 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.469 -0.758 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.450 -2.178 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.432 -2.402 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.306 -3.100 6.410 1.00 0.00 H new ATOM 589 N VAL A 37 5.539 0.007 2.317 1.00 0.00 N ATOM 590 CA VAL A 37 5.650 -0.145 0.873 1.00 0.00 C ATOM 591 C VAL A 37 4.418 0.543 0.302 1.00 0.00 C ATOM 592 O VAL A 37 3.299 0.329 0.783 1.00 0.00 O ATOM 593 CB VAL A 37 5.793 -1.615 0.424 1.00 0.00 C ATOM 594 CG1 VAL A 37 7.275 -2.004 0.332 1.00 0.00 C ATOM 595 CG2 VAL A 37 5.071 -2.601 1.350 1.00 0.00 C ATOM 0 H VAL A 37 4.675 -0.381 2.696 1.00 0.00 H new ATOM 0 HA VAL A 37 6.565 0.312 0.497 1.00 0.00 H new ATOM 0 HB VAL A 37 5.321 -1.680 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.359 -3.043 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.776 -1.361 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.744 -1.884 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.210 -3.617 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.482 -2.523 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.007 -2.366 1.373 1.00 0.00 H new ATOM 605 N LEU A 38 4.640 1.412 -0.681 1.00 0.00 N ATOM 606 CA LEU A 38 3.638 2.322 -1.216 1.00 0.00 C ATOM 607 C LEU A 38 3.592 2.165 -2.729 1.00 0.00 C ATOM 608 O LEU A 38 4.594 1.788 -3.340 1.00 0.00 O ATOM 609 CB LEU A 38 3.980 3.789 -0.884 1.00 0.00 C ATOM 610 CG LEU A 38 4.196 4.146 0.599 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.507 5.643 0.716 1.00 0.00 C ATOM 612 CD2 LEU A 38 2.987 3.821 1.479 1.00 0.00 C ATOM 0 H LEU A 38 5.547 1.503 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 38 2.676 2.078 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.884 4.056 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.177 4.418 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 38 5.028 3.538 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.661 5.902 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.409 5.873 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.672 6.220 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.204 4.096 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.121 4.382 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.774 2.753 1.425 1.00 0.00 H new ATOM 624 N VAL A 39 2.450 2.493 -3.330 1.00 0.00 N ATOM 625 CA VAL A 39 2.238 2.528 -4.772 1.00 0.00 C ATOM 626 C VAL A 39 3.241 3.518 -5.377 1.00 0.00 C ATOM 627 O VAL A 39 3.140 4.724 -5.142 1.00 0.00 O ATOM 628 CB VAL A 39 0.759 2.879 -5.062 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.453 2.938 -6.565 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.204 1.846 -4.451 1.00 0.00 C ATOM 0 H VAL A 39 1.616 2.751 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 39 2.417 1.559 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 39 0.610 3.860 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.598 3.188 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.077 3.699 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.663 1.969 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.232 2.129 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.003 0.862 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.066 1.814 -3.370 1.00 0.00 H new ATOM 640 N ALA A 40 4.214 3.004 -6.134 1.00 0.00 N ATOM 641 CA ALA A 40 5.184 3.794 -6.884 1.00 0.00 C ATOM 642 C ALA A 40 4.595 4.232 -8.222 1.00 0.00 C ATOM 643 O ALA A 40 4.844 5.350 -8.671 1.00 0.00 O ATOM 644 CB ALA A 40 6.442 2.952 -7.143 1.00 0.00 C ATOM 0 H ALA A 40 4.349 1.999 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 40 5.439 4.678 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.166 3.543 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.879 2.649 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.174 2.065 -7.718 1.00 0.00 H new ATOM 650 N PHE A 41 3.796 3.355 -8.830 1.00 0.00 N ATOM 651 CA PHE A 41 3.039 3.594 -10.047 1.00 0.00 C ATOM 652 C PHE A 41 1.738 2.815 -9.887 1.00 0.00 C ATOM 653 O PHE A 41 1.761 1.676 -9.413 1.00 0.00 O ATOM 654 CB PHE A 41 3.819 3.110 -11.278 1.00 0.00 C ATOM 655 CG PHE A 41 5.063 3.920 -11.604 1.00 0.00 C ATOM 656 CD1 PHE A 41 4.962 5.085 -12.390 1.00 0.00 C ATOM 657 CD2 PHE A 41 6.322 3.515 -11.120 1.00 0.00 C ATOM 658 CE1 PHE A 41 6.112 5.837 -12.689 1.00 0.00 C ATOM 659 CE2 PHE A 41 7.472 4.268 -11.419 1.00 0.00 C ATOM 660 CZ PHE A 41 7.367 5.429 -12.204 1.00 0.00 C ATOM 0 H PHE A 41 3.656 2.413 -8.464 1.00 0.00 H new ATOM 0 HA PHE A 41 2.850 4.657 -10.198 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.110 2.071 -11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.154 3.128 -12.142 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.999 5.401 -12.764 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.405 2.623 -10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.031 6.729 -13.292 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.435 3.954 -11.045 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.250 6.007 -12.434 1.00 0.00 H new ATOM 670 N GLY A 42 0.617 3.443 -10.227 1.00 0.00 N ATOM 671 CA GLY A 42 -0.722 2.896 -10.083 1.00 0.00 C ATOM 672 C GLY A 42 -1.676 4.064 -9.870 1.00 0.00 C ATOM 673 O GLY A 42 -1.442 4.891 -8.986 1.00 0.00 O ATOM 0 H GLY A 42 0.619 4.382 -10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.002 2.330 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.766 2.207 -9.239 1.00 0.00 H new ATOM 677 N GLN A 43 -2.714 4.168 -10.699 1.00 0.00 N ATOM 678 CA GLN A 43 -3.697 5.246 -10.673 1.00 0.00 C ATOM 679 C GLN A 43 -4.965 4.791 -11.409 1.00 0.00 C ATOM 680 O GLN A 43 -4.964 3.725 -12.029 1.00 0.00 O ATOM 681 CB GLN A 43 -3.091 6.553 -11.242 1.00 0.00 C ATOM 682 CG GLN A 43 -2.359 6.469 -12.597 1.00 0.00 C ATOM 683 CD GLN A 43 -3.289 6.306 -13.799 1.00 0.00 C ATOM 684 OE1 GLN A 43 -3.378 5.240 -14.402 1.00 0.00 O ATOM 685 NE2 GLN A 43 -3.993 7.358 -14.186 1.00 0.00 N ATOM 0 H GLN A 43 -2.898 3.481 -11.430 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.981 5.473 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.895 7.282 -11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.391 6.947 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.763 7.371 -12.732 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.665 5.629 -12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.913 8.240 -13.679 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.616 7.287 -14.991 1.00 0.00 H new ATOM 694 N ARG A 44 -6.029 5.607 -11.353 1.00 0.00 N ATOM 695 CA ARG A 44 -7.335 5.465 -12.022 1.00 0.00 C ATOM 696 C ARG A 44 -8.168 4.253 -11.587 1.00 0.00 C ATOM 697 O ARG A 44 -9.391 4.376 -11.530 1.00 0.00 O ATOM 698 CB ARG A 44 -7.156 5.552 -13.555 1.00 0.00 C ATOM 699 CG ARG A 44 -8.436 5.571 -14.415 1.00 0.00 C ATOM 700 CD ARG A 44 -9.351 6.788 -14.200 1.00 0.00 C ATOM 701 NE ARG A 44 -10.197 6.647 -13.001 1.00 0.00 N ATOM 702 CZ ARG A 44 -11.037 7.566 -12.512 1.00 0.00 C ATOM 703 NH1 ARG A 44 -11.188 8.742 -13.116 1.00 0.00 N ATOM 704 NH2 ARG A 44 -11.726 7.294 -11.408 1.00 0.00 N ATOM 0 H ARG A 44 -5.996 6.457 -10.790 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.940 6.307 -11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.586 6.454 -13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.548 4.705 -13.873 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.149 5.533 -15.466 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.007 4.666 -14.208 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.741 7.687 -14.108 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.986 6.922 -15.076 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.136 5.763 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.660 8.952 -13.963 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.832 9.434 -12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.611 6.393 -10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.370 7.986 -11.025 1.00 0.00 H new ATOM 718 N ASP A 45 -7.559 3.121 -11.244 1.00 0.00 N ATOM 719 CA ASP A 45 -8.263 1.927 -10.768 1.00 0.00 C ATOM 720 C ASP A 45 -9.052 2.212 -9.484 1.00 0.00 C ATOM 721 O ASP A 45 -10.159 1.703 -9.302 1.00 0.00 O ATOM 722 CB ASP A 45 -7.250 0.805 -10.515 1.00 0.00 C ATOM 723 CG ASP A 45 -7.928 -0.413 -9.865 1.00 0.00 C ATOM 724 OD1 ASP A 45 -8.572 -1.202 -10.591 1.00 0.00 O ATOM 725 OD2 ASP A 45 -7.800 -0.580 -8.633 1.00 0.00 O ATOM 0 H ASP A 45 -6.547 3.003 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.974 1.623 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.787 0.509 -11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.452 1.170 -9.868 1.00 0.00 H new ATOM 730 N GLY A 46 -8.489 3.054 -8.614 1.00 0.00 N ATOM 731 CA GLY A 46 -9.060 3.457 -7.335 1.00 0.00 C ATOM 732 C GLY A 46 -7.922 3.903 -6.422 1.00 0.00 C ATOM 733 O GLY A 46 -7.984 4.977 -5.820 1.00 0.00 O ATOM 0 H GLY A 46 -7.584 3.490 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.774 4.269 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.606 2.628 -6.885 1.00 0.00 H new ATOM 737 N ILE A 47 -6.854 3.100 -6.381 1.00 0.00 N ATOM 738 CA ILE A 47 -5.591 3.465 -5.750 1.00 0.00 C ATOM 739 C ILE A 47 -4.962 4.636 -6.517 1.00 0.00 C ATOM 740 O ILE A 47 -5.288 4.874 -7.686 1.00 0.00 O ATOM 741 CB ILE A 47 -4.638 2.245 -5.687 1.00 0.00 C ATOM 742 CG1 ILE A 47 -4.257 1.706 -7.089 1.00 0.00 C ATOM 743 CG2 ILE A 47 -5.264 1.150 -4.805 1.00 0.00 C ATOM 744 CD1 ILE A 47 -3.232 0.566 -7.068 1.00 0.00 C ATOM 0 H ILE A 47 -6.847 2.167 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.774 3.781 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.701 2.573 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.160 1.358 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.858 2.527 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.594 0.291 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.422 1.539 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.220 0.843 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.021 0.248 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.311 0.913 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.634 -0.274 -6.502 1.00 0.00 H new ATOM 756 N ARG A 48 -4.013 5.325 -5.883 1.00 0.00 N ATOM 757 CA ARG A 48 -3.152 6.329 -6.502 1.00 0.00 C ATOM 758 C ARG A 48 -1.765 6.170 -5.892 1.00 0.00 C ATOM 759 O ARG A 48 -1.635 5.573 -4.819 1.00 0.00 O ATOM 760 CB ARG A 48 -3.693 7.754 -6.265 1.00 0.00 C ATOM 761 CG ARG A 48 -5.040 8.024 -6.960 1.00 0.00 C ATOM 762 CD ARG A 48 -5.524 9.465 -6.749 1.00 0.00 C ATOM 763 NE ARG A 48 -4.661 10.455 -7.423 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.674 11.778 -7.204 1.00 0.00 C ATOM 765 NH1 ARG A 48 -5.517 12.313 -6.323 1.00 0.00 N ATOM 766 NH2 ARG A 48 -3.837 12.564 -7.873 1.00 0.00 N ATOM 0 H ARG A 48 -3.817 5.194 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.119 6.183 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.807 7.917 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.959 8.477 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.941 7.829 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.789 7.331 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.543 9.561 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.555 9.682 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.998 10.103 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.162 11.715 -5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.518 13.321 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.189 12.160 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.843 13.571 -7.710 1.00 0.00 H new ATOM 780 N VAL A 49 -0.740 6.731 -6.530 1.00 0.00 N ATOM 781 CA VAL A 49 0.616 6.735 -5.993 1.00 0.00 C ATOM 782 C VAL A 49 0.631 7.262 -4.550 1.00 0.00 C ATOM 783 O VAL A 49 -0.144 8.153 -4.189 1.00 0.00 O ATOM 784 CB VAL A 49 1.582 7.489 -6.929 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.793 6.678 -8.216 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.117 8.909 -7.295 1.00 0.00 C ATOM 0 H VAL A 49 -0.828 7.195 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 49 0.979 5.708 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 49 2.515 7.600 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.476 7.213 -8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.216 5.705 -7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.836 6.539 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.850 9.373 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.153 8.857 -7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.018 9.505 -6.388 1.00 0.00 H new ATOM 796 N GLY A 50 1.493 6.677 -3.717 1.00 0.00 N ATOM 797 CA GLY A 50 1.621 7.025 -2.308 1.00 0.00 C ATOM 798 C GLY A 50 0.626 6.299 -1.395 1.00 0.00 C ATOM 799 O GLY A 50 0.790 6.376 -0.179 1.00 0.00 O ATOM 0 H GLY A 50 2.130 5.937 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.635 6.797 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.484 8.100 -2.196 1.00 0.00 H new ATOM 803 N HIS A 51 -0.378 5.585 -1.927 1.00 0.00 N ATOM 804 CA HIS A 51 -1.216 4.705 -1.108 1.00 0.00 C ATOM 805 C HIS A 51 -0.382 3.521 -0.625 1.00 0.00 C ATOM 806 O HIS A 51 0.600 3.158 -1.274 1.00 0.00 O ATOM 807 CB HIS A 51 -2.465 4.248 -1.874 1.00 0.00 C ATOM 808 CG HIS A 51 -3.495 5.346 -1.931 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.383 6.532 -2.617 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.631 5.425 -1.172 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.420 7.313 -2.273 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.214 6.679 -1.388 1.00 0.00 N ATOM 0 H HIS A 51 -0.626 5.601 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.572 5.259 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.188 3.952 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.891 3.369 -1.390 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.641 6.776 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.012 4.653 -0.519 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.593 8.309 -2.652 1.00 0.00 H new ATOM 820 N ALA A 52 -0.773 2.908 0.491 1.00 0.00 N ATOM 821 CA ALA A 52 -0.039 1.821 1.120 1.00 0.00 C ATOM 822 C ALA A 52 -0.767 0.507 0.880 1.00 0.00 C ATOM 823 O ALA A 52 -2.000 0.479 0.834 1.00 0.00 O ATOM 824 CB ALA A 52 0.055 2.082 2.629 1.00 0.00 C ATOM 0 H ALA A 52 -1.626 3.161 0.990 1.00 0.00 H new ATOM 0 HA ALA A 52 0.962 1.763 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.604 1.270 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.576 3.024 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.948 2.138 3.052 1.00 0.00 H new ATOM 830 N VAL A 53 -0.018 -0.586 0.742 1.00 0.00 N ATOM 831 CA VAL A 53 -0.611 -1.917 0.741 1.00 0.00 C ATOM 832 C VAL A 53 -0.832 -2.289 2.213 1.00 0.00 C ATOM 833 O VAL A 53 0.008 -2.001 3.074 1.00 0.00 O ATOM 834 CB VAL A 53 0.238 -2.915 -0.077 1.00 0.00 C ATOM 835 CG1 VAL A 53 1.729 -2.911 0.273 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.308 -4.345 0.030 1.00 0.00 C ATOM 0 H VAL A 53 0.996 -0.574 0.630 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.574 -1.946 0.231 1.00 0.00 H new ATOM 0 HB VAL A 53 0.153 -2.563 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.250 -3.640 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.143 -1.919 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.857 -3.171 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.316 -5.018 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.298 -4.661 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.330 -4.374 -0.348 1.00 0.00 H new ATOM 846 N LEU A 54 -1.973 -2.909 2.507 1.00 0.00 N ATOM 847 CA LEU A 54 -2.427 -3.254 3.851 1.00 0.00 C ATOM 848 C LEU A 54 -2.508 -4.774 3.995 1.00 0.00 C ATOM 849 O LEU A 54 -2.107 -5.284 5.040 1.00 0.00 O ATOM 850 CB LEU A 54 -3.787 -2.582 4.154 1.00 0.00 C ATOM 851 CG LEU A 54 -3.735 -1.218 4.880 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.240 -1.356 6.324 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.886 -0.165 4.157 1.00 0.00 C ATOM 0 H LEU A 54 -2.633 -3.196 1.785 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.708 -2.880 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.318 -2.447 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.380 -3.268 4.759 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.767 -0.868 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.219 -0.374 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.912 -2.011 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.236 -1.781 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.897 0.765 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.860 -0.523 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.296 0.013 3.163 1.00 0.00 H new ATOM 865 N ALA A 55 -2.927 -5.517 2.961 1.00 0.00 N ATOM 866 CA ALA A 55 -2.841 -6.980 2.969 1.00 0.00 C ATOM 867 C ALA A 55 -2.677 -7.518 1.550 1.00 0.00 C ATOM 868 O ALA A 55 -3.045 -6.841 0.590 1.00 0.00 O ATOM 869 CB ALA A 55 -4.085 -7.602 3.630 1.00 0.00 C ATOM 0 H ALA A 55 -3.329 -5.126 2.109 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.964 -7.259 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.996 -8.688 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.164 -7.251 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.977 -7.307 3.077 1.00 0.00 H new ATOM 875 N ILE A 56 -2.187 -8.751 1.420 1.00 0.00 N ATOM 876 CA ILE A 56 -2.054 -9.465 0.151 1.00 0.00 C ATOM 877 C ILE A 56 -2.524 -10.891 0.407 1.00 0.00 C ATOM 878 O ILE A 56 -2.061 -11.526 1.350 1.00 0.00 O ATOM 879 CB ILE A 56 -0.591 -9.461 -0.358 1.00 0.00 C ATOM 880 CG1 ILE A 56 -0.044 -8.032 -0.567 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.530 -10.256 -1.679 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.472 -7.981 -0.767 1.00 0.00 C ATOM 0 H ILE A 56 -1.862 -9.296 2.219 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.649 -8.979 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 56 0.039 -9.927 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.532 -7.588 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.309 -7.420 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.494 -10.263 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.860 -11.280 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.181 -9.787 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.786 -6.947 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.969 -8.395 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.743 -8.565 -1.646 1.00 0.00 H new ATOM 894 N ASN A 57 -3.397 -11.419 -0.454 1.00 0.00 N ATOM 895 CA ASN A 57 -4.052 -12.737 -0.405 1.00 0.00 C ATOM 896 C ASN A 57 -4.433 -13.217 1.007 1.00 0.00 C ATOM 897 O ASN A 57 -4.391 -14.411 1.307 1.00 0.00 O ATOM 898 CB ASN A 57 -3.326 -13.777 -1.285 1.00 0.00 C ATOM 899 CG ASN A 57 -2.169 -14.553 -0.649 1.00 0.00 C ATOM 900 OD1 ASN A 57 -1.244 -13.894 0.026 1.00 0.00 O flip ATOM 901 ND2 ASN A 57 -2.064 -15.765 -0.818 1.00 0.00 N flip ATOM 0 H ASN A 57 -3.692 -10.893 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.031 -12.604 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.065 -14.499 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.943 -13.263 -2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.780 -16.271 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.261 -16.265 -0.437 1.00 0.00 H new ATOM 908 N GLY A 58 -4.816 -12.269 1.868 1.00 0.00 N ATOM 909 CA GLY A 58 -5.315 -12.504 3.221 1.00 0.00 C ATOM 910 C GLY A 58 -4.259 -12.263 4.302 1.00 0.00 C ATOM 911 O GLY A 58 -4.615 -12.117 5.473 1.00 0.00 O ATOM 0 H GLY A 58 -4.784 -11.278 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.169 -11.852 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.675 -13.530 3.296 1.00 0.00 H new ATOM 915 N MET A 59 -2.976 -12.196 3.936 1.00 0.00 N ATOM 916 CA MET A 59 -1.890 -11.877 4.848 1.00 0.00 C ATOM 917 C MET A 59 -1.794 -10.362 4.993 1.00 0.00 C ATOM 918 O MET A 59 -1.393 -9.670 4.055 1.00 0.00 O ATOM 919 CB MET A 59 -0.551 -12.425 4.331 1.00 0.00 C ATOM 920 CG MET A 59 -0.502 -13.954 4.280 1.00 0.00 C ATOM 921 SD MET A 59 1.151 -14.597 3.900 1.00 0.00 S ATOM 922 CE MET A 59 0.788 -16.372 3.878 1.00 0.00 C ATOM 0 H MET A 59 -2.664 -12.366 2.980 1.00 0.00 H new ATOM 0 HA MET A 59 -2.098 -12.340 5.812 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.365 -12.029 3.333 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.253 -12.064 4.972 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.830 -14.355 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.206 -14.310 3.528 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.700 -16.927 3.657 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.404 -16.677 4.851 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.041 -16.581 3.112 1.00 0.00 H new ATOM 932 N ASP A 60 -2.179 -9.843 6.157 1.00 0.00 N ATOM 933 CA ASP A 60 -1.937 -8.452 6.541 1.00 0.00 C ATOM 934 C ASP A 60 -0.424 -8.219 6.489 1.00 0.00 C ATOM 935 O ASP A 60 0.333 -9.068 6.972 1.00 0.00 O ATOM 936 CB ASP A 60 -2.479 -8.216 7.955 1.00 0.00 C ATOM 937 CG ASP A 60 -2.114 -6.821 8.491 1.00 0.00 C ATOM 938 OD1 ASP A 60 -1.043 -6.674 9.121 1.00 0.00 O ATOM 939 OD2 ASP A 60 -2.928 -5.884 8.341 1.00 0.00 O ATOM 0 H ASP A 60 -2.673 -10.381 6.869 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.441 -7.759 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.563 -8.330 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.081 -8.977 8.627 1.00 0.00 H new ATOM 944 N VAL A 61 0.032 -7.121 5.878 1.00 0.00 N ATOM 945 CA VAL A 61 1.463 -6.876 5.721 1.00 0.00 C ATOM 946 C VAL A 61 1.928 -5.927 6.831 1.00 0.00 C ATOM 947 O VAL A 61 1.370 -4.844 7.031 1.00 0.00 O ATOM 948 CB VAL A 61 1.851 -6.465 4.281 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.341 -7.490 3.253 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.387 -5.073 3.845 1.00 0.00 C ATOM 0 H VAL A 61 -0.567 -6.394 5.487 1.00 0.00 H new ATOM 0 HA VAL A 61 2.016 -7.807 5.850 1.00 0.00 H new ATOM 0 HB VAL A 61 2.940 -6.437 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.629 -7.174 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.777 -8.466 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.255 -7.557 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.711 -4.886 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.300 -5.019 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.820 -4.322 4.506 1.00 0.00 H new ATOM 960 N ASN A 62 2.943 -6.369 7.570 1.00 0.00 N ATOM 961 CA ASN A 62 3.602 -5.647 8.644 1.00 0.00 C ATOM 962 C ASN A 62 4.733 -4.833 8.024 1.00 0.00 C ATOM 963 O ASN A 62 5.790 -5.384 7.707 1.00 0.00 O ATOM 964 CB ASN A 62 4.151 -6.651 9.672 1.00 0.00 C ATOM 965 CG ASN A 62 5.024 -5.983 10.734 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.865 -4.807 11.055 1.00 0.00 O ATOM 967 ND2 ASN A 62 5.957 -6.721 11.309 1.00 0.00 N ATOM 0 H ASN A 62 3.347 -7.294 7.423 1.00 0.00 H new ATOM 0 HA ASN A 62 2.907 -4.983 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.319 -7.160 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.733 -7.414 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.556 -6.316 12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.078 -7.696 11.033 1.00 0.00 H new ATOM 974 N GLY A 63 4.500 -3.537 7.810 1.00 0.00 N ATOM 975 CA GLY A 63 5.459 -2.602 7.234 1.00 0.00 C ATOM 976 C GLY A 63 5.706 -2.918 5.763 1.00 0.00 C ATOM 977 O GLY A 63 5.094 -2.309 4.886 1.00 0.00 O ATOM 0 H GLY A 63 3.609 -3.098 8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.085 -1.583 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.399 -2.652 7.784 1.00 0.00 H new ATOM 981 N ARG A 64 6.565 -3.904 5.500 1.00 0.00 N ATOM 982 CA ARG A 64 6.889 -4.403 4.166 1.00 0.00 C ATOM 983 C ARG A 64 7.149 -5.907 4.172 1.00 0.00 C ATOM 984 O ARG A 64 7.810 -6.410 3.264 1.00 0.00 O ATOM 985 CB ARG A 64 8.042 -3.591 3.533 1.00 0.00 C ATOM 986 CG ARG A 64 9.403 -3.662 4.249 1.00 0.00 C ATOM 987 CD ARG A 64 9.526 -2.608 5.357 1.00 0.00 C ATOM 988 NE ARG A 64 10.857 -2.614 5.986 1.00 0.00 N ATOM 989 CZ ARG A 64 11.163 -1.992 7.133 1.00 0.00 C ATOM 990 NH1 ARG A 64 10.243 -1.303 7.798 1.00 0.00 N ATOM 991 NH2 ARG A 64 12.395 -2.052 7.626 1.00 0.00 N ATOM 0 H ARG A 64 7.071 -4.393 6.238 1.00 0.00 H new ATOM 0 HA ARG A 64 6.017 -4.254 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.178 -3.933 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.736 -2.546 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.536 -4.655 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.203 -3.519 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.328 -1.621 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.766 -2.792 6.117 1.00 0.00 H new ATOM 0 HE ARG A 64 11.600 -3.129 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.291 -1.243 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.488 -0.834 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.118 -2.575 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.618 -1.575 8.500 1.00 0.00 H new ATOM 1005 N TYR A 65 6.625 -6.637 5.157 1.00 0.00 N ATOM 1006 CA TYR A 65 6.747 -8.086 5.239 1.00 0.00 C ATOM 1007 C TYR A 65 5.344 -8.667 5.380 1.00 0.00 C ATOM 1008 O TYR A 65 4.481 -8.026 5.979 1.00 0.00 O ATOM 1009 CB TYR A 65 7.640 -8.464 6.428 1.00 0.00 C ATOM 1010 CG TYR A 65 9.022 -7.836 6.368 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.028 -8.425 5.577 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.287 -6.638 7.062 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.292 -7.819 5.475 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.551 -6.029 6.968 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.562 -6.621 6.175 1.00 0.00 C ATOM 1016 OH TYR A 65 12.800 -6.056 6.084 1.00 0.00 O ATOM 0 H TYR A 65 6.097 -6.229 5.929 1.00 0.00 H new ATOM 0 HA TYR A 65 7.214 -8.493 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.150 -8.158 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.743 -9.548 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.827 -9.345 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.516 -6.186 7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.058 -8.269 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.750 -5.111 7.500 1.00 0.00 H new ATOM 0 HH TYR A 65 12.826 -5.237 6.621 1.00 0.00 H new ATOM 1026 N THR A 66 5.081 -9.851 4.831 1.00 0.00 N ATOM 1027 CA THR A 66 3.800 -10.512 5.027 1.00 0.00 C ATOM 1028 C THR A 66 3.651 -10.963 6.483 1.00 0.00 C ATOM 1029 O THR A 66 4.595 -10.916 7.279 1.00 0.00 O ATOM 1030 CB THR A 66 3.643 -11.700 4.062 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.678 -12.646 4.244 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.636 -11.257 2.601 1.00 0.00 C ATOM 0 H THR A 66 5.739 -10.369 4.248 1.00 0.00 H new ATOM 0 HA THR A 66 3.006 -9.798 4.807 1.00 0.00 H new ATOM 0 HB THR A 66 2.681 -12.156 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.553 -13.391 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.523 -12.129 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.805 -10.572 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.575 -10.754 2.369 1.00 0.00 H new ATOM 1040 N ALA A 67 2.458 -11.463 6.810 1.00 0.00 N ATOM 1041 CA ALA A 67 2.194 -12.139 8.069 1.00 0.00 C ATOM 1042 C ALA A 67 3.140 -13.334 8.251 1.00 0.00 C ATOM 1043 O ALA A 67 3.613 -13.592 9.358 1.00 0.00 O ATOM 1044 CB ALA A 67 0.740 -12.617 8.058 1.00 0.00 C ATOM 0 H ALA A 67 1.644 -11.406 6.198 1.00 0.00 H new ATOM 0 HA ALA A 67 2.361 -11.452 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.518 -13.128 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.076 -11.760 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.589 -13.304 7.225 1.00 0.00 H new ATOM 1050 N ASP A 68 3.419 -14.053 7.157 1.00 0.00 N ATOM 1051 CA ASP A 68 4.369 -15.165 7.136 1.00 0.00 C ATOM 1052 C ASP A 68 5.813 -14.671 7.295 1.00 0.00 C ATOM 1053 O ASP A 68 6.592 -15.288 8.024 1.00 0.00 O ATOM 1054 CB ASP A 68 4.228 -15.957 5.834 1.00 0.00 C ATOM 1055 CG ASP A 68 5.274 -17.078 5.767 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.071 -18.140 6.399 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.293 -16.904 5.064 1.00 0.00 O ATOM 0 H ASP A 68 2.984 -13.874 6.252 1.00 0.00 H new ATOM 0 HA ASP A 68 4.139 -15.815 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.227 -16.382 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.348 -15.289 4.981 1.00 0.00 H new ATOM 1062 N GLY A 69 6.156 -13.543 6.661 1.00 0.00 N ATOM 1063 CA GLY A 69 7.427 -12.842 6.840 1.00 0.00 C ATOM 1064 C GLY A 69 8.157 -12.526 5.530 1.00 0.00 C ATOM 1065 O GLY A 69 9.234 -11.929 5.573 1.00 0.00 O ATOM 0 H GLY A 69 5.539 -13.083 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.244 -11.910 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.079 -13.448 7.469 1.00 0.00 H new ATOM 1069 N LYS A 70 7.619 -12.926 4.373 1.00 0.00 N ATOM 1070 CA LYS A 70 8.205 -12.651 3.062 1.00 0.00 C ATOM 1071 C LYS A 70 8.251 -11.141 2.858 1.00 0.00 C ATOM 1072 O LYS A 70 7.255 -10.471 3.127 1.00 0.00 O ATOM 1073 CB LYS A 70 7.344 -13.302 1.964 1.00 0.00 C ATOM 1074 CG LYS A 70 7.179 -14.825 2.108 1.00 0.00 C ATOM 1075 CD LYS A 70 8.472 -15.585 1.788 1.00 0.00 C ATOM 1076 CE LYS A 70 8.276 -17.098 1.943 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.339 -17.554 3.352 1.00 0.00 N ATOM 0 H LYS A 70 6.750 -13.458 4.323 1.00 0.00 H new ATOM 0 HA LYS A 70 9.213 -13.063 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.357 -12.839 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.791 -13.087 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.865 -15.059 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.386 -15.166 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.788 -15.359 0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.269 -15.249 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.311 -17.378 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.040 -17.618 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.370 -18.593 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.194 -17.170 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.498 -17.219 3.863 1.00 0.00 H new ATOM 1091 N GLU A 71 9.370 -10.594 2.382 1.00 0.00 N ATOM 1092 CA GLU A 71 9.439 -9.188 2.006 1.00 0.00 C ATOM 1093 C GLU A 71 8.480 -8.988 0.832 1.00 0.00 C ATOM 1094 O GLU A 71 8.570 -9.705 -0.163 1.00 0.00 O ATOM 1095 CB GLU A 71 10.883 -8.803 1.650 1.00 0.00 C ATOM 1096 CG GLU A 71 11.025 -7.290 1.429 1.00 0.00 C ATOM 1097 CD GLU A 71 12.476 -6.897 1.101 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.335 -6.890 2.012 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.767 -6.570 -0.071 1.00 0.00 O ATOM 0 H GLU A 71 10.241 -11.108 2.249 1.00 0.00 H new ATOM 0 HA GLU A 71 9.144 -8.539 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.552 -9.119 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.190 -9.334 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.371 -6.978 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.697 -6.759 2.323 1.00 0.00 H new ATOM 1106 N VAL A 72 7.558 -8.035 0.948 1.00 0.00 N ATOM 1107 CA VAL A 72 6.442 -7.850 0.023 1.00 0.00 C ATOM 1108 C VAL A 72 6.926 -7.661 -1.418 1.00 0.00 C ATOM 1109 O VAL A 72 6.307 -8.195 -2.340 1.00 0.00 O ATOM 1110 CB VAL A 72 5.567 -6.683 0.534 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.585 -6.156 -0.520 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.770 -7.133 1.769 1.00 0.00 C ATOM 0 H VAL A 72 7.566 -7.353 1.707 1.00 0.00 H new ATOM 0 HA VAL A 72 5.827 -8.750 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 72 6.250 -5.871 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.001 -5.338 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.140 -5.796 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.915 -6.959 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.155 -6.307 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.130 -7.974 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.460 -7.438 2.556 1.00 0.00 H new ATOM 1122 N LEU A 73 8.033 -6.943 -1.631 1.00 0.00 N ATOM 1123 CA LEU A 73 8.537 -6.692 -2.980 1.00 0.00 C ATOM 1124 C LEU A 73 8.978 -8.004 -3.636 1.00 0.00 C ATOM 1125 O LEU A 73 8.692 -8.225 -4.811 1.00 0.00 O ATOM 1126 CB LEU A 73 9.692 -5.672 -2.956 1.00 0.00 C ATOM 1127 CG LEU A 73 9.328 -4.285 -2.383 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.546 -3.358 -2.438 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.159 -3.618 -3.118 1.00 0.00 C ATOM 0 H LEU A 73 8.594 -6.527 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 73 7.730 -6.265 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.511 -6.087 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.063 -5.542 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 73 9.015 -4.450 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.279 -2.382 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.357 -3.787 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.870 -3.244 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.953 -2.647 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.419 -3.483 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.274 -4.249 -3.041 1.00 0.00 H new ATOM 1141 N GLU A 74 9.626 -8.898 -2.884 1.00 0.00 N ATOM 1142 CA GLU A 74 10.043 -10.205 -3.386 1.00 0.00 C ATOM 1143 C GLU A 74 8.831 -11.133 -3.511 1.00 0.00 C ATOM 1144 O GLU A 74 8.726 -11.882 -4.481 1.00 0.00 O ATOM 1145 CB GLU A 74 11.092 -10.825 -2.447 1.00 0.00 C ATOM 1146 CG GLU A 74 12.412 -10.040 -2.410 1.00 0.00 C ATOM 1147 CD GLU A 74 13.171 -10.098 -3.749 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.864 -11.106 -4.017 1.00 0.00 O ATOM 1149 OE2 GLU A 74 13.105 -9.129 -4.540 1.00 0.00 O ATOM 0 H GLU A 74 9.875 -8.733 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 74 10.489 -10.076 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.681 -10.879 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.294 -11.848 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.205 -9.000 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.046 -10.440 -1.619 1.00 0.00 H new ATOM 1156 N TYR A 75 7.895 -11.058 -2.559 1.00 0.00 N ATOM 1157 CA TYR A 75 6.683 -11.862 -2.534 1.00 0.00 C ATOM 1158 C TYR A 75 5.853 -11.616 -3.793 1.00 0.00 C ATOM 1159 O TYR A 75 5.405 -12.570 -4.430 1.00 0.00 O ATOM 1160 CB TYR A 75 5.882 -11.519 -1.269 1.00 0.00 C ATOM 1161 CG TYR A 75 4.704 -12.427 -0.979 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.930 -13.781 -0.673 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.392 -11.913 -0.958 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.860 -14.617 -0.311 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.315 -12.746 -0.604 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.545 -14.099 -0.264 1.00 0.00 C ATOM 1167 OH TYR A 75 1.500 -14.895 0.100 1.00 0.00 O ATOM 0 H TYR A 75 7.967 -10.418 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 75 6.944 -12.920 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.557 -11.544 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.517 -10.496 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.932 -14.181 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.213 -10.879 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.042 -15.654 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.310 -12.351 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 75 0.661 -14.398 0.002 1.00 0.00 H new ATOM 1177 N LEU A 76 5.673 -10.348 -4.172 1.00 0.00 N ATOM 1178 CA LEU A 76 4.969 -9.965 -5.391 1.00 0.00 C ATOM 1179 C LEU A 76 5.854 -10.173 -6.619 1.00 0.00 C ATOM 1180 O LEU A 76 5.333 -10.477 -7.689 1.00 0.00 O ATOM 1181 CB LEU A 76 4.530 -8.494 -5.307 1.00 0.00 C ATOM 1182 CG LEU A 76 3.417 -8.227 -4.274 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.186 -6.717 -4.151 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.101 -8.921 -4.646 1.00 0.00 C ATOM 0 H LEU A 76 6.017 -9.553 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 76 4.088 -10.599 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.396 -7.881 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.184 -8.173 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 76 3.746 -8.639 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.399 -6.528 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.107 -6.233 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.887 -6.315 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.348 -8.703 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.758 -8.556 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.260 -9.998 -4.700 1.00 0.00 H new ATOM 1196 N GLY A 77 7.177 -10.021 -6.488 1.00 0.00 N ATOM 1197 CA GLY A 77 8.118 -10.212 -7.584 1.00 0.00 C ATOM 1198 C GLY A 77 8.159 -11.661 -8.075 1.00 0.00 C ATOM 1199 O GLY A 77 8.348 -11.889 -9.269 1.00 0.00 O ATOM 0 H GLY A 77 7.623 -9.760 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.844 -9.559 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.115 -9.913 -7.259 1.00 0.00 H new ATOM 1203 N ASN A 78 7.974 -12.633 -7.176 1.00 0.00 N ATOM 1204 CA ASN A 78 7.922 -14.059 -7.495 1.00 0.00 C ATOM 1205 C ASN A 78 6.723 -14.353 -8.410 1.00 0.00 C ATOM 1206 O ASN A 78 5.584 -14.231 -7.950 1.00 0.00 O ATOM 1207 CB ASN A 78 7.808 -14.865 -6.189 1.00 0.00 C ATOM 1208 CG ASN A 78 7.642 -16.367 -6.418 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.767 -16.875 -7.529 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.348 -17.113 -5.368 1.00 0.00 N ATOM 0 H ASN A 78 7.853 -12.442 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 78 8.833 -14.348 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.699 -14.693 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.958 -14.496 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.223 -18.119 -5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.246 -16.682 -4.449 1.00 0.00 H new ATOM 1217 N PRO A 79 6.915 -14.782 -9.673 1.00 0.00 N ATOM 1218 CA PRO A 79 5.803 -14.976 -10.590 1.00 0.00 C ATOM 1219 C PRO A 79 4.930 -16.187 -10.258 1.00 0.00 C ATOM 1220 O PRO A 79 3.781 -16.230 -10.705 1.00 0.00 O ATOM 1221 CB PRO A 79 6.411 -15.016 -11.985 1.00 0.00 C ATOM 1222 CG PRO A 79 7.802 -15.597 -11.731 1.00 0.00 C ATOM 1223 CD PRO A 79 8.176 -15.026 -10.361 1.00 0.00 C ATOM 0 HA PRO A 79 5.091 -14.155 -10.507 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.829 -15.641 -12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.463 -14.023 -12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.788 -16.687 -11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.512 -15.294 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.797 -15.726 -9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.749 -14.105 -10.465 1.00 0.00 H new ATOM 1231 N ALA A 80 5.395 -17.120 -9.415 1.00 0.00 N ATOM 1232 CA ALA A 80 4.542 -18.182 -8.878 1.00 0.00 C ATOM 1233 C ALA A 80 3.406 -17.601 -8.014 1.00 0.00 C ATOM 1234 O ALA A 80 2.453 -18.308 -7.686 1.00 0.00 O ATOM 1235 CB ALA A 80 5.384 -19.145 -8.035 1.00 0.00 C ATOM 0 H ALA A 80 6.362 -17.158 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 80 4.097 -18.716 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.746 -19.934 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.163 -19.587 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.844 -18.600 -7.211 1.00 0.00 H new ATOM 1241 N ASN A 81 3.517 -16.322 -7.637 1.00 0.00 N ATOM 1242 CA ASN A 81 2.642 -15.598 -6.732 1.00 0.00 C ATOM 1243 C ASN A 81 2.256 -14.242 -7.350 1.00 0.00 C ATOM 1244 O ASN A 81 1.902 -13.307 -6.634 1.00 0.00 O ATOM 1245 CB ASN A 81 3.391 -15.457 -5.398 1.00 0.00 C ATOM 1246 CG ASN A 81 2.529 -14.887 -4.278 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.446 -15.386 -3.983 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.030 -13.872 -3.602 1.00 0.00 N ATOM 0 H ASN A 81 4.274 -15.733 -7.984 1.00 0.00 H new ATOM 0 HA ASN A 81 1.705 -16.127 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.767 -16.434 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.258 -14.813 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.516 -13.482 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.932 -13.477 -3.869 1.00 0.00 H new ATOM 1255 N TYR A 82 2.338 -14.107 -8.684 1.00 0.00 N ATOM 1256 CA TYR A 82 1.820 -12.939 -9.396 1.00 0.00 C ATOM 1257 C TYR A 82 0.311 -12.746 -9.171 1.00 0.00 C ATOM 1258 O TYR A 82 -0.058 -11.637 -8.793 1.00 0.00 O ATOM 1259 CB TYR A 82 2.133 -13.010 -10.907 1.00 0.00 C ATOM 1260 CG TYR A 82 3.443 -12.437 -11.435 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.401 -11.811 -10.606 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.681 -12.505 -12.822 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.565 -11.250 -11.158 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.841 -11.944 -13.383 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.790 -11.307 -12.552 1.00 0.00 C ATOM 1266 OH TYR A 82 6.910 -10.760 -13.104 1.00 0.00 O ATOM 0 H TYR A 82 2.765 -14.805 -9.293 1.00 0.00 H new ATOM 0 HA TYR A 82 2.332 -12.072 -8.980 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.096 -14.060 -11.198 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.322 -12.505 -11.432 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.237 -11.763 -9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.962 -12.995 -13.463 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.290 -10.774 -10.515 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.007 -12.000 -14.449 1.00 0.00 H new ATOM 0 HH TYR A 82 6.896 -10.895 -14.075 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.577 -13.737 -9.406 1.00 0.00 N ATOM 1277 CA PRO A 83 -2.007 -13.538 -9.204 1.00 0.00 C ATOM 1278 C PRO A 83 -2.318 -13.514 -7.703 1.00 0.00 C ATOM 1279 O PRO A 83 -2.209 -14.545 -7.033 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.698 -14.689 -9.941 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.656 -15.806 -9.931 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.329 -15.052 -9.988 1.00 0.00 C ATOM 0 HA PRO A 83 -2.364 -12.586 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.615 -14.993 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.972 -14.406 -10.958 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.732 -16.418 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.775 -16.475 -10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.444 -15.583 -9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.023 -14.962 -11.016 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.721 -12.358 -7.172 1.00 0.00 N ATOM 1291 CA VAL A 84 -3.059 -12.183 -5.759 1.00 0.00 C ATOM 1292 C VAL A 84 -4.150 -11.123 -5.608 1.00 0.00 C ATOM 1293 O VAL A 84 -4.273 -10.211 -6.429 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.822 -11.760 -4.926 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.876 -12.929 -4.628 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.011 -10.605 -5.538 1.00 0.00 C ATOM 0 H VAL A 84 -2.823 -11.504 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.416 -13.143 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.258 -11.402 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.029 -12.572 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.410 -13.694 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.516 -13.353 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.164 -10.373 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.647 -10.898 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.647 -9.725 -5.633 1.00 0.00 H new ATOM 1306 N SER A 85 -4.945 -11.241 -4.547 1.00 0.00 N ATOM 1307 CA SER A 85 -5.864 -10.197 -4.130 1.00 0.00 C ATOM 1308 C SER A 85 -5.023 -9.254 -3.275 1.00 0.00 C ATOM 1309 O SER A 85 -4.141 -9.717 -2.548 1.00 0.00 O ATOM 1310 CB SER A 85 -7.005 -10.801 -3.304 1.00 0.00 C ATOM 1311 OG SER A 85 -7.662 -11.823 -4.038 1.00 0.00 O ATOM 0 H SER A 85 -4.966 -12.070 -3.953 1.00 0.00 H new ATOM 0 HA SER A 85 -6.321 -9.682 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.612 -11.209 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.719 -10.022 -3.034 1.00 0.00 H new ATOM 0 HG SER A 85 -8.387 -12.200 -3.497 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.267 -7.951 -3.333 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.527 -6.977 -2.544 1.00 0.00 C ATOM 1319 C ILE A 86 -5.550 -6.026 -1.930 1.00 0.00 C ATOM 1320 O ILE A 86 -6.488 -5.587 -2.599 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.445 -6.259 -3.394 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.540 -7.269 -4.147 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.593 -5.361 -2.481 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.398 -6.649 -4.961 1.00 0.00 C ATOM 0 H ILE A 86 -5.985 -7.540 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.967 -7.462 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.949 -5.652 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.112 -7.960 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.164 -7.859 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.832 -4.855 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.232 -4.619 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.111 -5.972 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.827 -7.440 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.811 -5.982 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.743 -6.084 -4.298 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.358 -5.725 -0.646 1.00 0.00 N ATOM 1337 CA ARG A 87 -6.066 -4.694 0.095 1.00 0.00 C ATOM 1338 C ARG A 87 -5.078 -3.546 0.204 1.00 0.00 C ATOM 1339 O ARG A 87 -3.992 -3.740 0.758 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.440 -5.237 1.486 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.194 -4.223 2.363 1.00 0.00 C ATOM 1342 CD ARG A 87 -7.404 -4.759 3.785 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.317 -5.911 3.795 1.00 0.00 N ATOM 1344 CZ ARG A 87 -8.444 -6.842 4.743 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -7.710 -6.814 5.854 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -9.333 -7.802 4.537 1.00 0.00 N ATOM 0 H ARG A 87 -4.673 -6.218 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.991 -4.378 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.056 -6.128 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.531 -5.546 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.635 -3.288 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.160 -3.997 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.444 -5.050 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.807 -3.968 4.418 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.925 -6.011 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.030 -6.068 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.828 -7.539 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.887 -7.809 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.464 -8.534 5.235 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.457 -2.377 -0.297 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.701 -1.139 -0.168 1.00 0.00 C ATOM 1362 C PHE A 88 -5.422 -0.237 0.834 1.00 0.00 C ATOM 1363 O PHE A 88 -6.504 -0.571 1.322 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.572 -0.464 -1.546 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.538 -1.093 -2.462 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -2.198 -0.669 -2.386 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -3.909 -2.062 -3.415 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -1.228 -1.225 -3.237 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -2.942 -2.593 -4.289 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.601 -2.185 -4.193 1.00 0.00 C ATOM 0 H PHE A 88 -6.325 -2.261 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.693 -1.337 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.542 -0.491 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.318 0.586 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.914 0.088 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.934 -2.397 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.197 -0.915 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.232 -3.317 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.858 -2.608 -4.853 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.833 0.913 1.143 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.449 1.934 1.962 1.00 0.00 C ATOM 1382 C GLY A 89 -4.617 3.205 1.946 1.00 0.00 C ATOM 1383 O GLY A 89 -3.514 3.250 1.390 1.00 0.00 O ATOM 0 H GLY A 89 -3.897 1.160 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.453 2.146 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.553 1.574 2.985 1.00 0.00 H new ATOM 1387 N ARG A 90 -5.155 4.261 2.553 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.381 5.471 2.808 1.00 0.00 C ATOM 1389 C ARG A 90 -3.330 5.090 3.869 1.00 0.00 C ATOM 1390 O ARG A 90 -3.674 4.341 4.788 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.293 6.602 3.316 1.00 0.00 C ATOM 1392 CG ARG A 90 -6.250 7.227 2.283 1.00 0.00 C ATOM 1393 CD ARG A 90 -7.308 6.272 1.704 1.00 0.00 C ATOM 1394 NE ARG A 90 -8.537 6.980 1.299 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.726 7.733 0.206 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -7.769 7.884 -0.704 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -9.891 8.348 0.032 1.00 0.00 N ATOM 0 H ARG A 90 -6.122 4.302 2.876 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.906 5.839 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.888 6.215 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.662 7.394 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.761 8.069 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.658 7.629 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.891 5.750 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.556 5.514 2.447 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.337 6.886 1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.868 7.422 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.935 8.462 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.631 8.245 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.045 8.923 -0.796 1.00 0.00 H new ATOM 1411 N PRO A 91 -2.077 5.570 3.791 1.00 0.00 N ATOM 1412 CA PRO A 91 -1.103 5.357 4.859 1.00 0.00 C ATOM 1413 C PRO A 91 -1.632 5.901 6.192 1.00 0.00 C ATOM 1414 O PRO A 91 -2.398 6.872 6.205 1.00 0.00 O ATOM 1415 CB PRO A 91 0.164 6.108 4.430 1.00 0.00 C ATOM 1416 CG PRO A 91 0.006 6.280 2.922 1.00 0.00 C ATOM 1417 CD PRO A 91 -1.506 6.383 2.732 1.00 0.00 C ATOM 0 HA PRO A 91 -0.904 4.296 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.246 7.071 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.064 5.543 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.517 7.174 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.423 5.434 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.843 7.417 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.806 6.018 1.750 1.00 0.00 H new ATOM 1425 N ARG A 92 -1.206 5.321 7.318 1.00 0.00 N ATOM 1426 CA ARG A 92 -1.478 5.901 8.636 1.00 0.00 C ATOM 1427 C ARG A 92 -0.773 7.260 8.732 1.00 0.00 C ATOM 1428 O ARG A 92 0.281 7.466 8.125 1.00 0.00 O ATOM 1429 CB ARG A 92 -1.052 4.912 9.746 1.00 0.00 C ATOM 1430 CG ARG A 92 -1.279 5.394 11.193 1.00 0.00 C ATOM 1431 CD ARG A 92 -2.753 5.635 11.567 1.00 0.00 C ATOM 1432 NE ARG A 92 -2.870 6.619 12.660 1.00 0.00 N ATOM 1433 CZ ARG A 92 -3.586 6.532 13.786 1.00 0.00 C ATOM 1434 NH1 ARG A 92 -4.266 5.427 14.082 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -3.618 7.572 14.616 1.00 0.00 N ATOM 0 H ARG A 92 -0.672 4.452 7.343 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.545 6.074 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.596 3.978 9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.007 4.686 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.861 4.656 11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.724 6.320 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.299 5.991 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.213 4.694 11.870 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.334 7.479 12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.246 4.630 13.446 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.807 5.377 14.945 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.101 8.421 14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.160 7.520 15.478 1.00 0.00 H new ATOM 1449 N LEU A 93 -1.346 8.171 9.517 1.00 0.00 N ATOM 1450 CA LEU A 93 -0.841 9.516 9.779 1.00 0.00 C ATOM 1451 C LEU A 93 -0.936 9.752 11.293 1.00 0.00 C ATOM 1452 O LEU A 93 -1.260 8.823 12.036 1.00 0.00 O ATOM 1453 CB LEU A 93 -1.669 10.498 8.921 1.00 0.00 C ATOM 1454 CG LEU A 93 -1.195 11.964 8.863 1.00 0.00 C ATOM 1455 CD1 LEU A 93 0.299 12.106 8.542 1.00 0.00 C ATOM 1456 CD2 LEU A 93 -2.007 12.708 7.802 1.00 0.00 C ATOM 0 H LEU A 93 -2.218 7.981 10.011 1.00 0.00 H new ATOM 0 HA LEU A 93 0.203 9.662 9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.698 10.113 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.693 10.490 9.294 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.350 12.390 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.567 13.162 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.886 11.602 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.507 11.655 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.678 13.746 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.858 12.235 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.065 12.674 8.063 1.00 0.00 H new ATOM 1468 N THR A 94 -0.653 10.956 11.785 1.00 0.00 N ATOM 1469 CA THR A 94 -0.922 11.324 13.171 1.00 0.00 C ATOM 1470 C THR A 94 -2.409 11.100 13.476 1.00 0.00 C ATOM 1471 O THR A 94 -2.756 10.341 14.386 1.00 0.00 O ATOM 1472 CB THR A 94 -0.478 12.784 13.387 1.00 0.00 C ATOM 1473 OG1 THR A 94 -0.849 13.574 12.266 1.00 0.00 O ATOM 1474 CG2 THR A 94 1.046 12.873 13.535 1.00 0.00 C ATOM 0 H THR A 94 -0.231 11.703 11.233 1.00 0.00 H new ATOM 0 HA THR A 94 -0.358 10.701 13.865 1.00 0.00 H new ATOM 0 HB THR A 94 -0.962 13.147 14.294 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.565 14.501 12.411 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.337 13.913 13.686 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.364 12.279 14.392 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.522 12.491 12.632 1.00 0.00 H new ATOM 1482 N SER A 95 -3.278 11.684 12.648 1.00 0.00 N ATOM 1483 CA SER A 95 -4.714 11.448 12.664 1.00 0.00 C ATOM 1484 C SER A 95 -5.042 9.968 12.447 1.00 0.00 C ATOM 1485 O SER A 95 -4.286 9.239 11.796 1.00 0.00 O ATOM 1486 CB SER A 95 -5.388 12.277 11.566 1.00 0.00 C ATOM 1487 OG SER A 95 -5.133 13.657 11.723 1.00 0.00 O ATOM 0 H SER A 95 -2.990 12.350 11.931 1.00 0.00 H new ATOM 0 HA SER A 95 -5.089 11.745 13.644 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.029 11.949 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.464 12.101 11.586 1.00 0.00 H new ATOM 0 HG SER A 95 -5.982 14.145 11.754 1.00 0.00 H new ATOM 1493 N ASN A 96 -6.197 9.547 12.977 1.00 0.00 N ATOM 1494 CA ASN A 96 -6.779 8.239 12.690 1.00 0.00 C ATOM 1495 C ASN A 96 -6.921 8.101 11.179 1.00 0.00 C ATOM 1496 O ASN A 96 -6.701 6.985 10.673 1.00 0.00 O ATOM 1497 CB ASN A 96 -8.142 8.089 13.384 1.00 0.00 C ATOM 1498 CG ASN A 96 -8.645 6.646 13.464 1.00 0.00 C ATOM 1499 OD1 ASN A 96 -9.230 6.258 14.471 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -8.444 5.817 12.457 1.00 0.00 N ATOM 1501 OXT ASN A 96 -7.222 9.105 10.499 1.00 0.00 O ATOM 0 H ASN A 96 -6.754 10.110 13.620 1.00 0.00 H new ATOM 0 HA ASN A 96 -6.131 7.450 13.073 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -8.071 8.494 14.393 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -8.878 8.690 12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -8.775 4.854 12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -7.958 6.139 11.620 1.00 0.00 H new TER 1508 ASN A 96