USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 14 CYS SG : rot -150:sc= 0.857 USER MOD Set 1.2: A 60 TYR OH : rot 168:sc= 0.6 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.262 (180deg=-1.63) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -147:sc= -0.266 (180deg=-1.63!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.369 (180deg=-1.43) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 13:sc= 0.224 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 13 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.0778 (180deg=-0.458) USER MOD Single : A 19 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 0.904 (180deg=0.528) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -41:sc= 0.00216 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.071 (180deg=-0.522) USER MOD Single : A 53 GLN : amide:sc= -0.122 K(o=-0.12,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= -0.0244 (180deg=-0.0653) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.577 -3.781 7.927 1.00 0.00 N ATOM 2 CA MET A 1 -9.243 -3.255 7.598 1.00 0.00 C ATOM 3 C MET A 1 -8.662 -4.114 6.487 1.00 0.00 C ATOM 4 O MET A 1 -8.408 -5.302 6.698 1.00 0.00 O ATOM 5 CB MET A 1 -8.350 -3.212 8.842 1.00 0.00 C ATOM 6 CG MET A 1 -6.923 -2.722 8.543 1.00 0.00 C ATOM 7 SD MET A 1 -5.621 -3.592 9.461 1.00 0.00 S ATOM 8 CE MET A 1 -5.826 -5.242 8.744 1.00 0.00 C ATOM 0 H1 MET A 1 -10.998 -3.209 8.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.185 -3.738 7.084 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.493 -4.768 8.243 1.00 0.00 H new ATOM 0 HA MET A 1 -9.310 -2.225 7.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.804 -2.557 9.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.301 -4.208 9.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.731 -2.830 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.862 -1.658 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.888 -5.792 8.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.608 -5.778 9.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.105 -5.150 7.694 1.00 0.00 H new ATOM 18 N LEU A 2 -8.477 -3.530 5.301 1.00 0.00 N ATOM 19 CA LEU A 2 -7.931 -4.235 4.149 1.00 0.00 C ATOM 20 C LEU A 2 -6.465 -4.559 4.385 1.00 0.00 C ATOM 21 O LEU A 2 -5.730 -3.737 4.938 1.00 0.00 O ATOM 22 CB LEU A 2 -8.120 -3.408 2.870 1.00 0.00 C ATOM 23 CG LEU A 2 -9.364 -3.880 2.104 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.758 -2.842 1.056 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.122 -5.222 1.408 1.00 0.00 C ATOM 0 H LEU A 2 -8.703 -2.553 5.116 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.471 -5.173 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.220 -2.353 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.238 -3.501 2.236 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.167 -4.005 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.641 -3.186 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.978 -1.894 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.936 -2.704 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.024 -5.524 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.300 -5.121 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.869 -5.977 2.152 1.00 0.00 H new ATOM 37 N LYS A 3 -6.036 -5.714 3.882 1.00 0.00 N ATOM 38 CA LYS A 3 -4.681 -6.237 4.017 1.00 0.00 C ATOM 39 C LYS A 3 -3.991 -6.372 2.664 1.00 0.00 C ATOM 40 O LYS A 3 -4.540 -6.976 1.740 1.00 0.00 O ATOM 41 CB LYS A 3 -4.777 -7.611 4.700 1.00 0.00 C ATOM 42 CG LYS A 3 -5.258 -7.439 6.147 1.00 0.00 C ATOM 43 CD LYS A 3 -5.086 -8.649 7.066 1.00 0.00 C ATOM 44 CE LYS A 3 -3.655 -8.812 7.605 1.00 0.00 C ATOM 45 NZ LYS A 3 -2.728 -9.389 6.611 1.00 0.00 N ATOM 0 H LYS A 3 -6.646 -6.334 3.349 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.084 -5.545 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.467 -8.253 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.804 -8.103 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.725 -6.596 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.315 -7.172 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.774 -8.558 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.366 -9.551 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.279 -7.840 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.676 -9.450 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.019 -9.974 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.261 -9.977 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.250 -8.622 6.096 1.00 0.00 H new ATOM 59 N LEU A 4 -2.771 -5.847 2.552 1.00 0.00 N ATOM 60 CA LEU A 4 -1.940 -5.884 1.351 1.00 0.00 C ATOM 61 C LEU A 4 -0.530 -6.322 1.699 1.00 0.00 C ATOM 62 O LEU A 4 -0.088 -6.240 2.849 1.00 0.00 O ATOM 63 CB LEU A 4 -1.847 -4.496 0.686 1.00 0.00 C ATOM 64 CG LEU A 4 -2.976 -4.280 -0.338 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.784 -3.020 -0.011 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.398 -4.176 -1.747 1.00 0.00 C ATOM 0 H LEU A 4 -2.317 -5.365 3.328 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.407 -6.590 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.896 -3.721 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.881 -4.393 0.191 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.645 -5.139 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.574 -2.892 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.227 -3.119 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.126 -2.151 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.207 -4.023 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.707 -3.334 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.867 -5.096 -1.991 1.00 0.00 H new ATOM 78 N LYS A 5 0.190 -6.694 0.650 1.00 0.00 N ATOM 79 CA LYS A 5 1.558 -7.148 0.614 1.00 0.00 C ATOM 80 C LYS A 5 2.242 -6.295 -0.441 1.00 0.00 C ATOM 81 O LYS A 5 1.708 -6.178 -1.538 1.00 0.00 O ATOM 82 CB LYS A 5 1.523 -8.629 0.202 1.00 0.00 C ATOM 83 CG LYS A 5 2.813 -9.435 0.407 1.00 0.00 C ATOM 84 CD LYS A 5 3.986 -9.009 -0.485 1.00 0.00 C ATOM 85 CE LYS A 5 5.155 -10.001 -0.472 1.00 0.00 C ATOM 86 NZ LYS A 5 4.912 -11.204 -1.289 1.00 0.00 N ATOM 0 H LYS A 5 -0.217 -6.681 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 5 2.086 -7.060 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.725 -9.118 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.253 -8.682 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.118 -9.348 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.600 -10.488 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.630 -8.892 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.344 -8.033 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.052 -9.499 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.354 -10.303 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.739 -11.832 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.074 -11.705 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.751 -10.925 -2.278 1.00 0.00 H new ATOM 100 N VAL A 6 3.364 -5.681 -0.109 1.00 0.00 N ATOM 101 CA VAL A 6 4.196 -4.860 -0.988 1.00 0.00 C ATOM 102 C VAL A 6 5.555 -5.556 -1.044 1.00 0.00 C ATOM 103 O VAL A 6 5.997 -6.108 -0.034 1.00 0.00 O ATOM 104 CB VAL A 6 4.374 -3.435 -0.439 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.171 -2.540 -1.407 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.043 -2.751 -0.151 1.00 0.00 C ATOM 0 H VAL A 6 3.746 -5.742 0.835 1.00 0.00 H new ATOM 0 HA VAL A 6 3.731 -4.764 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 6 4.926 -3.555 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.273 -1.542 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.160 -2.969 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.644 -2.475 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.225 -1.748 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.461 -2.686 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.490 -3.329 0.589 1.00 0.00 H new ATOM 116 N GLU A 7 6.241 -5.522 -2.181 1.00 0.00 N ATOM 117 CA GLU A 7 7.544 -6.135 -2.339 1.00 0.00 C ATOM 118 C GLU A 7 8.449 -5.187 -3.138 1.00 0.00 C ATOM 119 O GLU A 7 8.209 -4.943 -4.326 1.00 0.00 O ATOM 120 CB GLU A 7 7.386 -7.525 -2.984 1.00 0.00 C ATOM 121 CG GLU A 7 8.628 -8.412 -2.812 1.00 0.00 C ATOM 122 CD GLU A 7 8.693 -9.086 -1.439 1.00 0.00 C ATOM 123 OE1 GLU A 7 9.160 -8.466 -0.454 1.00 0.00 O ATOM 124 OE2 GLU A 7 8.222 -10.237 -1.306 1.00 0.00 O ATOM 0 H GLU A 7 5.900 -5.062 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 7 8.024 -6.296 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.524 -8.027 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.177 -7.404 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.632 -9.178 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.523 -7.807 -2.957 1.00 0.00 H new ATOM 131 N GLY A 8 9.450 -4.604 -2.471 1.00 0.00 N ATOM 132 CA GLY A 8 10.433 -3.695 -3.046 1.00 0.00 C ATOM 133 C GLY A 8 10.863 -2.524 -2.155 1.00 0.00 C ATOM 134 O GLY A 8 11.817 -1.833 -2.514 1.00 0.00 O ATOM 0 H GLY A 8 9.599 -4.763 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.320 -4.270 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.027 -3.291 -3.973 1.00 0.00 H new ATOM 138 N MET A 9 10.203 -2.237 -1.027 1.00 0.00 N ATOM 139 CA MET A 9 10.598 -1.111 -0.176 1.00 0.00 C ATOM 140 C MET A 9 11.908 -1.375 0.589 1.00 0.00 C ATOM 141 O MET A 9 12.021 -2.357 1.324 1.00 0.00 O ATOM 142 CB MET A 9 9.459 -0.757 0.789 1.00 0.00 C ATOM 143 CG MET A 9 8.156 -0.422 0.048 1.00 0.00 C ATOM 144 SD MET A 9 6.792 0.100 1.113 1.00 0.00 S ATOM 145 CE MET A 9 6.499 -1.474 1.964 1.00 0.00 C ATOM 0 H MET A 9 9.400 -2.764 -0.685 1.00 0.00 H new ATOM 0 HA MET A 9 10.791 -0.261 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.285 -1.593 1.466 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.756 0.094 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.358 0.369 -0.674 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.841 -1.298 -0.519 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.510 -1.461 2.423 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.555 -2.292 1.246 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.255 -1.617 2.736 1.00 0.00 H new ATOM 155 N THR A 10 12.876 -0.456 0.481 1.00 0.00 N ATOM 156 CA THR A 10 14.185 -0.534 1.149 1.00 0.00 C ATOM 157 C THR A 10 14.594 0.786 1.839 1.00 0.00 C ATOM 158 O THR A 10 15.622 0.824 2.520 1.00 0.00 O ATOM 159 CB THR A 10 15.259 -1.010 0.150 1.00 0.00 C ATOM 160 OG1 THR A 10 15.141 -0.337 -1.088 1.00 0.00 O ATOM 161 CG2 THR A 10 15.173 -2.511 -0.131 1.00 0.00 C ATOM 0 H THR A 10 12.770 0.384 -0.087 1.00 0.00 H new ATOM 0 HA THR A 10 14.097 -1.267 1.951 1.00 0.00 H new ATOM 0 HB THR A 10 16.216 -0.785 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.835 -0.657 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.951 -2.794 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.311 -3.064 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.196 -2.747 -0.552 1.00 0.00 H new ATOM 169 N CYS A 11 13.827 1.874 1.679 1.00 0.00 N ATOM 170 CA CYS A 11 14.089 3.178 2.284 1.00 0.00 C ATOM 171 C CYS A 11 12.766 3.866 2.634 1.00 0.00 C ATOM 172 O CYS A 11 11.722 3.518 2.080 1.00 0.00 O ATOM 173 CB CYS A 11 14.851 4.080 1.298 1.00 0.00 C ATOM 174 SG CYS A 11 16.573 3.571 1.072 1.00 0.00 S ATOM 0 H CYS A 11 12.983 1.865 1.107 1.00 0.00 H new ATOM 0 HA CYS A 11 14.685 3.022 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.343 4.067 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.825 5.108 1.658 1.00 0.00 H new ATOM 0 HG CYS A 11 16.744 2.384 1.573 1.00 0.00 H new ATOM 180 N ASN A 12 12.832 4.913 3.467 1.00 0.00 N ATOM 181 CA ASN A 12 11.682 5.712 3.906 1.00 0.00 C ATOM 182 C ASN A 12 10.915 6.260 2.703 1.00 0.00 C ATOM 183 O ASN A 12 9.685 6.231 2.681 1.00 0.00 O ATOM 184 CB ASN A 12 12.124 6.900 4.782 1.00 0.00 C ATOM 185 CG ASN A 12 12.539 6.492 6.185 1.00 0.00 C ATOM 186 OD1 ASN A 12 13.620 5.943 6.382 1.00 0.00 O ATOM 187 ND2 ASN A 12 11.705 6.745 7.175 1.00 0.00 N ATOM 0 H ASN A 12 13.714 5.236 3.865 1.00 0.00 H new ATOM 0 HA ASN A 12 11.041 5.052 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.958 7.409 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.307 7.618 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.952 6.484 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.813 7.202 6.986 1.00 0.00 H new ATOM 194 N HIS A 13 11.637 6.716 1.674 1.00 0.00 N ATOM 195 CA HIS A 13 11.040 7.272 0.468 1.00 0.00 C ATOM 196 C HIS A 13 10.082 6.277 -0.196 1.00 0.00 C ATOM 197 O HIS A 13 9.036 6.678 -0.703 1.00 0.00 O ATOM 198 CB HIS A 13 12.122 7.749 -0.502 1.00 0.00 C ATOM 199 CG HIS A 13 11.622 8.799 -1.461 1.00 0.00 C ATOM 200 ND1 HIS A 13 11.974 10.131 -1.433 1.00 0.00 N ATOM 201 CD2 HIS A 13 10.705 8.627 -2.463 1.00 0.00 C ATOM 202 CE1 HIS A 13 11.277 10.759 -2.394 1.00 0.00 C ATOM 203 NE2 HIS A 13 10.500 9.880 -3.053 1.00 0.00 N ATOM 0 H HIS A 13 12.657 6.707 1.660 1.00 0.00 H new ATOM 0 HA HIS A 13 10.446 8.139 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.961 8.151 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.499 6.897 -1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.229 7.699 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.332 11.816 -2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.879 10.087 -3.835 1.00 0.00 H new ATOM 211 N CYS A 14 10.425 4.986 -0.197 1.00 0.00 N ATOM 212 CA CYS A 14 9.592 3.948 -0.782 1.00 0.00 C ATOM 213 C CYS A 14 8.237 3.935 -0.074 1.00 0.00 C ATOM 214 O CYS A 14 7.189 3.959 -0.720 1.00 0.00 O ATOM 215 CB CYS A 14 10.275 2.582 -0.641 1.00 0.00 C ATOM 216 SG CYS A 14 11.990 2.611 -1.236 1.00 0.00 S ATOM 0 H CYS A 14 11.292 4.637 0.211 1.00 0.00 H new ATOM 0 HA CYS A 14 9.446 4.153 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.260 2.276 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.710 1.836 -1.200 1.00 0.00 H new ATOM 0 HG CYS A 14 12.311 1.436 -1.691 1.00 0.00 H new ATOM 222 N VAL A 15 8.270 3.959 1.262 1.00 0.00 N ATOM 223 CA VAL A 15 7.086 3.945 2.105 1.00 0.00 C ATOM 224 C VAL A 15 6.192 5.125 1.741 1.00 0.00 C ATOM 225 O VAL A 15 4.997 4.921 1.534 1.00 0.00 O ATOM 226 CB VAL A 15 7.460 3.976 3.602 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.252 3.638 4.484 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.590 3.008 3.967 1.00 0.00 C ATOM 0 H VAL A 15 9.141 3.989 1.791 1.00 0.00 H new ATOM 0 HA VAL A 15 6.542 3.016 1.930 1.00 0.00 H new ATOM 0 HB VAL A 15 7.802 4.995 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.547 3.668 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.459 4.365 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.890 2.640 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.802 3.082 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.288 1.989 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.486 3.264 3.401 1.00 0.00 H new ATOM 238 N MET A 16 6.723 6.350 1.643 1.00 0.00 N ATOM 239 CA MET A 16 5.885 7.497 1.309 1.00 0.00 C ATOM 240 C MET A 16 5.315 7.413 -0.103 1.00 0.00 C ATOM 241 O MET A 16 4.149 7.763 -0.270 1.00 0.00 O ATOM 242 CB MET A 16 6.568 8.839 1.578 1.00 0.00 C ATOM 243 CG MET A 16 7.773 9.179 0.707 1.00 0.00 C ATOM 244 SD MET A 16 8.455 10.846 0.948 1.00 0.00 S ATOM 245 CE MET A 16 7.063 11.845 0.345 1.00 0.00 C ATOM 0 H MET A 16 7.709 6.566 1.788 1.00 0.00 H new ATOM 0 HA MET A 16 5.037 7.450 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.827 9.629 1.457 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.885 8.857 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.560 8.450 0.902 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.488 9.068 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.413 12.848 0.103 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.643 11.382 -0.548 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.297 11.905 1.118 1.00 0.00 H new ATOM 255 N ALA A 17 6.081 6.950 -1.098 1.00 0.00 N ATOM 256 CA ALA A 17 5.608 6.829 -2.475 1.00 0.00 C ATOM 257 C ALA A 17 4.364 5.935 -2.506 1.00 0.00 C ATOM 258 O ALA A 17 3.300 6.338 -2.987 1.00 0.00 O ATOM 259 CB ALA A 17 6.725 6.262 -3.361 1.00 0.00 C ATOM 0 H ALA A 17 7.047 6.649 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 17 5.337 7.811 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.367 6.174 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.586 6.930 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.017 5.278 -2.993 1.00 0.00 H new ATOM 265 N VAL A 18 4.502 4.741 -1.926 1.00 0.00 N ATOM 266 CA VAL A 18 3.478 3.714 -1.811 1.00 0.00 C ATOM 267 C VAL A 18 2.293 4.264 -1.004 1.00 0.00 C ATOM 268 O VAL A 18 1.151 4.185 -1.453 1.00 0.00 O ATOM 269 CB VAL A 18 4.152 2.463 -1.196 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.152 1.385 -0.765 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.159 1.859 -2.195 1.00 0.00 C ATOM 0 H VAL A 18 5.384 4.454 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 18 3.059 3.422 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 18 4.664 2.802 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.691 0.537 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.476 1.795 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.577 1.055 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.627 0.980 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.638 1.572 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.925 2.598 -2.431 1.00 0.00 H new ATOM 281 N THR A 19 2.541 4.866 0.164 1.00 0.00 N ATOM 282 CA THR A 19 1.511 5.443 1.029 1.00 0.00 C ATOM 283 C THR A 19 0.684 6.451 0.237 1.00 0.00 C ATOM 284 O THR A 19 -0.542 6.396 0.248 1.00 0.00 O ATOM 285 CB THR A 19 2.153 6.114 2.260 1.00 0.00 C ATOM 286 OG1 THR A 19 2.835 5.158 3.037 1.00 0.00 O ATOM 287 CG2 THR A 19 1.151 6.822 3.178 1.00 0.00 C ATOM 0 H THR A 19 3.484 4.967 0.541 1.00 0.00 H new ATOM 0 HA THR A 19 0.855 4.647 1.383 1.00 0.00 H new ATOM 0 HB THR A 19 2.829 6.866 1.853 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.765 5.094 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.681 7.268 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.635 7.603 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.424 6.100 3.549 1.00 0.00 H new ATOM 295 N LYS A 20 1.338 7.382 -0.459 1.00 0.00 N ATOM 296 CA LYS A 20 0.643 8.392 -1.236 1.00 0.00 C ATOM 297 C LYS A 20 -0.209 7.758 -2.304 1.00 0.00 C ATOM 298 O LYS A 20 -1.370 8.130 -2.424 1.00 0.00 O ATOM 299 CB LYS A 20 1.643 9.384 -1.846 1.00 0.00 C ATOM 300 CG LYS A 20 2.230 10.351 -0.813 1.00 0.00 C ATOM 301 CD LYS A 20 1.239 11.465 -0.452 1.00 0.00 C ATOM 302 CE LYS A 20 1.933 12.537 0.387 1.00 0.00 C ATOM 303 NZ LYS A 20 2.320 12.051 1.729 1.00 0.00 N ATOM 0 H LYS A 20 2.355 7.452 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.018 8.943 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.454 8.830 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.147 9.956 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.503 9.800 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.146 10.792 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.834 11.910 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.398 11.048 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.822 12.885 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.269 13.395 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.786 12.818 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.471 11.744 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.975 11.249 1.632 1.00 0.00 H new ATOM 317 N ALA A 21 0.338 6.803 -3.044 1.00 0.00 N ATOM 318 CA ALA A 21 -0.388 6.129 -4.097 1.00 0.00 C ATOM 319 C ALA A 21 -1.663 5.499 -3.537 1.00 0.00 C ATOM 320 O ALA A 21 -2.745 5.671 -4.091 1.00 0.00 O ATOM 321 CB ALA A 21 0.525 5.089 -4.739 1.00 0.00 C ATOM 0 H ALA A 21 1.298 6.478 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.691 6.843 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.013 4.574 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.403 5.583 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.838 4.366 -3.986 1.00 0.00 H new ATOM 327 N LEU A 22 -1.545 4.810 -2.403 1.00 0.00 N ATOM 328 CA LEU A 22 -2.670 4.137 -1.752 1.00 0.00 C ATOM 329 C LEU A 22 -3.713 5.153 -1.315 1.00 0.00 C ATOM 330 O LEU A 22 -4.909 4.877 -1.350 1.00 0.00 O ATOM 331 CB LEU A 22 -2.158 3.315 -0.554 1.00 0.00 C ATOM 332 CG LEU A 22 -1.398 2.044 -0.986 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.417 1.580 0.095 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.378 0.907 -1.276 1.00 0.00 C ATOM 0 H LEU A 22 -0.661 4.702 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.144 3.458 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.501 3.937 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.002 3.033 0.075 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.839 2.296 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.100 0.682 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.311 2.368 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.964 1.359 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.825 0.018 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.955 0.686 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.054 1.205 -2.078 1.00 0.00 H new ATOM 346 N LYS A 23 -3.280 6.350 -0.925 1.00 0.00 N ATOM 347 CA LYS A 23 -4.182 7.405 -0.499 1.00 0.00 C ATOM 348 C LYS A 23 -4.889 8.076 -1.682 1.00 0.00 C ATOM 349 O LYS A 23 -5.832 8.828 -1.449 1.00 0.00 O ATOM 350 CB LYS A 23 -3.444 8.395 0.409 1.00 0.00 C ATOM 351 CG LYS A 23 -3.088 7.702 1.741 1.00 0.00 C ATOM 352 CD LYS A 23 -2.186 8.555 2.634 1.00 0.00 C ATOM 353 CE LYS A 23 -3.037 9.675 3.215 1.00 0.00 C ATOM 354 NZ LYS A 23 -2.284 10.562 4.114 1.00 0.00 N ATOM 0 H LYS A 23 -2.294 6.611 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.983 6.959 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.538 8.750 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.068 9.269 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.006 7.467 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.591 6.755 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.754 7.950 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.355 8.964 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.457 10.265 2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.875 9.241 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.915 11.304 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.904 10.009 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.499 11.001 3.591 1.00 0.00 H new ATOM 368 N LYS A 24 -4.478 7.843 -2.936 1.00 0.00 N ATOM 369 CA LYS A 24 -5.133 8.434 -4.111 1.00 0.00 C ATOM 370 C LYS A 24 -6.441 7.705 -4.452 1.00 0.00 C ATOM 371 O LYS A 24 -7.153 8.156 -5.352 1.00 0.00 O ATOM 372 CB LYS A 24 -4.217 8.349 -5.343 1.00 0.00 C ATOM 373 CG LYS A 24 -2.962 9.227 -5.305 1.00 0.00 C ATOM 374 CD LYS A 24 -2.126 8.959 -6.562 1.00 0.00 C ATOM 375 CE LYS A 24 -0.996 9.971 -6.781 1.00 0.00 C ATOM 376 NZ LYS A 24 0.037 9.988 -5.730 1.00 0.00 N ATOM 0 H LYS A 24 -3.686 7.242 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.345 9.474 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.908 7.312 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.799 8.619 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.241 10.280 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.378 9.010 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.698 7.959 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.782 8.967 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.517 9.757 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.431 10.968 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.757 10.701 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.401 10.224 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.484 9.051 -5.668 1.00 0.00 H new ATOM 390 N VAL A 25 -6.742 6.585 -3.794 1.00 0.00 N ATOM 391 CA VAL A 25 -7.931 5.768 -4.016 1.00 0.00 C ATOM 392 C VAL A 25 -9.206 6.424 -3.468 1.00 0.00 C ATOM 393 O VAL A 25 -9.155 7.047 -2.408 1.00 0.00 O ATOM 394 CB VAL A 25 -7.602 4.374 -3.444 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.735 3.367 -3.593 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.372 3.784 -4.159 1.00 0.00 C ATOM 0 H VAL A 25 -6.139 6.209 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.168 5.668 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.421 4.534 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.430 2.411 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.618 3.732 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.969 3.236 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.149 2.800 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.580 3.692 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.515 4.442 -4.012 1.00 0.00 H new ATOM 406 N PRO A 26 -10.363 6.305 -4.150 1.00 0.00 N ATOM 407 CA PRO A 26 -11.596 6.908 -3.683 1.00 0.00 C ATOM 408 C PRO A 26 -12.154 6.106 -2.507 1.00 0.00 C ATOM 409 O PRO A 26 -12.560 4.949 -2.661 1.00 0.00 O ATOM 410 CB PRO A 26 -12.542 6.933 -4.891 1.00 0.00 C ATOM 411 CG PRO A 26 -12.093 5.745 -5.736 1.00 0.00 C ATOM 412 CD PRO A 26 -10.602 5.618 -5.417 1.00 0.00 C ATOM 0 HA PRO A 26 -11.452 7.922 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.583 6.834 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.460 7.869 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.638 4.838 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.262 5.922 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.314 4.569 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.001 6.060 -6.212 1.00 0.00 H new ATOM 420 N GLY A 27 -12.146 6.724 -1.334 1.00 0.00 N ATOM 421 CA GLY A 27 -12.668 6.174 -0.084 1.00 0.00 C ATOM 422 C GLY A 27 -11.628 5.860 0.984 1.00 0.00 C ATOM 423 O GLY A 27 -11.996 5.411 2.071 1.00 0.00 O ATOM 0 H GLY A 27 -11.760 7.661 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.386 6.881 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.216 5.260 -0.311 1.00 0.00 H new ATOM 427 N VAL A 28 -10.336 6.004 0.705 1.00 0.00 N ATOM 428 CA VAL A 28 -9.299 5.727 1.694 1.00 0.00 C ATOM 429 C VAL A 28 -9.210 6.885 2.691 1.00 0.00 C ATOM 430 O VAL A 28 -9.312 8.050 2.306 1.00 0.00 O ATOM 431 CB VAL A 28 -7.968 5.467 0.972 1.00 0.00 C ATOM 432 CG1 VAL A 28 -7.520 6.695 0.187 1.00 0.00 C ATOM 433 CG2 VAL A 28 -6.850 5.028 1.925 1.00 0.00 C ATOM 0 H VAL A 28 -9.981 6.312 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.545 4.832 2.265 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.155 4.644 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.575 6.482 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.276 6.947 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.388 7.535 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.934 4.859 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.678 5.807 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.141 4.105 2.427 1.00 0.00 H new ATOM 443 N GLU A 29 -8.912 6.557 3.947 1.00 0.00 N ATOM 444 CA GLU A 29 -8.763 7.509 5.034 1.00 0.00 C ATOM 445 C GLU A 29 -7.360 7.400 5.599 1.00 0.00 C ATOM 446 O GLU A 29 -6.604 8.371 5.592 1.00 0.00 O ATOM 447 CB GLU A 29 -9.813 7.211 6.108 1.00 0.00 C ATOM 448 CG GLU A 29 -11.213 7.527 5.585 1.00 0.00 C ATOM 449 CD GLU A 29 -11.427 9.014 5.277 1.00 0.00 C ATOM 450 OE1 GLU A 29 -10.633 9.876 5.730 1.00 0.00 O ATOM 451 OE2 GLU A 29 -12.395 9.313 4.549 1.00 0.00 O ATOM 0 H GLU A 29 -8.764 5.591 4.240 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.914 8.527 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.755 6.163 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.609 7.803 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.394 6.946 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.949 7.207 6.322 1.00 0.00 H new ATOM 458 N LYS A 30 -6.981 6.209 6.060 1.00 0.00 N ATOM 459 CA LYS A 30 -5.668 5.956 6.630 1.00 0.00 C ATOM 460 C LYS A 30 -5.132 4.678 6.017 1.00 0.00 C ATOM 461 O LYS A 30 -5.892 3.818 5.559 1.00 0.00 O ATOM 462 CB LYS A 30 -5.777 5.896 8.164 1.00 0.00 C ATOM 463 CG LYS A 30 -4.456 5.752 8.943 1.00 0.00 C ATOM 464 CD LYS A 30 -3.462 6.889 8.677 1.00 0.00 C ATOM 465 CE LYS A 30 -2.243 6.833 9.603 1.00 0.00 C ATOM 466 NZ LYS A 30 -1.466 5.581 9.505 1.00 0.00 N ATOM 0 H LYS A 30 -7.586 5.388 6.046 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.965 6.758 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.277 6.802 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.421 5.057 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.675 5.714 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.989 4.803 8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.129 6.841 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.967 7.846 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.588 7.673 9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.577 6.961 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.493 5.750 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.909 4.850 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.448 5.260 8.516 1.00 0.00 H new ATOM 480 N VAL A 31 -3.809 4.608 5.969 1.00 0.00 N ATOM 481 CA VAL A 31 -3.031 3.517 5.436 1.00 0.00 C ATOM 482 C VAL A 31 -1.856 3.340 6.397 1.00 0.00 C ATOM 483 O VAL A 31 -1.322 4.329 6.919 1.00 0.00 O ATOM 484 CB VAL A 31 -2.542 3.867 4.010 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.866 2.694 3.294 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.654 4.397 3.089 1.00 0.00 C ATOM 0 H VAL A 31 -3.222 5.362 6.325 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.610 2.597 5.354 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.813 4.657 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.548 3.009 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.997 2.370 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.571 1.867 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.237 4.621 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.434 3.642 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.080 5.304 3.518 1.00 0.00 H new ATOM 496 N GLU A 32 -1.418 2.106 6.613 1.00 0.00 N ATOM 497 CA GLU A 32 -0.322 1.722 7.466 1.00 0.00 C ATOM 498 C GLU A 32 0.628 0.928 6.583 1.00 0.00 C ATOM 499 O GLU A 32 0.363 -0.241 6.303 1.00 0.00 O ATOM 500 CB GLU A 32 -0.870 0.862 8.609 1.00 0.00 C ATOM 501 CG GLU A 32 -1.661 1.644 9.662 1.00 0.00 C ATOM 502 CD GLU A 32 -0.806 2.506 10.589 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.107 3.233 10.121 1.00 0.00 O ATOM 504 OE2 GLU A 32 -1.154 2.625 11.776 1.00 0.00 O ATOM 0 H GLU A 32 -1.854 1.301 6.163 1.00 0.00 H new ATOM 0 HA GLU A 32 0.193 2.574 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.512 0.088 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.038 0.356 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.382 2.285 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.231 0.939 10.267 1.00 0.00 H new ATOM 511 N VAL A 33 1.697 1.555 6.096 1.00 0.00 N ATOM 512 CA VAL A 33 2.690 0.924 5.234 1.00 0.00 C ATOM 513 C VAL A 33 3.960 0.718 6.050 1.00 0.00 C ATOM 514 O VAL A 33 4.514 1.671 6.618 1.00 0.00 O ATOM 515 CB VAL A 33 2.936 1.765 3.962 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.801 1.003 2.950 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.631 2.167 3.263 1.00 0.00 C ATOM 0 H VAL A 33 1.900 2.535 6.294 1.00 0.00 H new ATOM 0 HA VAL A 33 2.331 -0.044 4.885 1.00 0.00 H new ATOM 0 HB VAL A 33 3.451 2.665 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.956 1.621 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.765 0.766 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.298 0.080 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.860 2.756 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.083 1.271 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.021 2.760 3.944 1.00 0.00 H new ATOM 527 N SER A 34 4.333 -0.546 6.215 1.00 0.00 N ATOM 528 CA SER A 34 5.530 -0.946 6.925 1.00 0.00 C ATOM 529 C SER A 34 6.722 -0.776 5.974 1.00 0.00 C ATOM 530 O SER A 34 6.533 -0.482 4.797 1.00 0.00 O ATOM 531 CB SER A 34 5.373 -2.411 7.323 1.00 0.00 C ATOM 532 OG SER A 34 4.331 -2.587 8.266 1.00 0.00 O ATOM 0 H SER A 34 3.797 -1.333 5.849 1.00 0.00 H new ATOM 0 HA SER A 34 5.691 -0.343 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.166 -3.009 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.310 -2.777 7.743 1.00 0.00 H new ATOM 0 HG SER A 34 4.256 -3.536 8.498 1.00 0.00 H new ATOM 538 N LEU A 35 7.946 -0.990 6.454 1.00 0.00 N ATOM 539 CA LEU A 35 9.157 -0.885 5.642 1.00 0.00 C ATOM 540 C LEU A 35 9.922 -2.197 5.679 1.00 0.00 C ATOM 541 O LEU A 35 10.495 -2.572 4.663 1.00 0.00 O ATOM 542 CB LEU A 35 10.009 0.295 6.109 1.00 0.00 C ATOM 543 CG LEU A 35 11.388 0.402 5.431 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.359 0.461 3.898 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.078 1.672 5.926 1.00 0.00 C ATOM 0 H LEU A 35 8.126 -1.243 7.425 1.00 0.00 H new ATOM 0 HA LEU A 35 8.884 -0.693 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.458 1.218 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.154 0.217 7.186 1.00 0.00 H new ATOM 0 HG LEU A 35 11.917 -0.513 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.378 0.535 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.891 -0.443 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.788 1.332 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.057 1.762 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.470 2.540 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.200 1.622 7.008 1.00 0.00 H new ATOM 557 N GLU A 36 9.904 -2.925 6.794 1.00 0.00 N ATOM 558 CA GLU A 36 10.597 -4.207 6.913 1.00 0.00 C ATOM 559 C GLU A 36 9.634 -5.376 6.720 1.00 0.00 C ATOM 560 O GLU A 36 10.019 -6.399 6.172 1.00 0.00 O ATOM 561 CB GLU A 36 11.334 -4.291 8.257 1.00 0.00 C ATOM 562 CG GLU A 36 10.425 -4.359 9.499 1.00 0.00 C ATOM 563 CD GLU A 36 10.944 -3.477 10.635 1.00 0.00 C ATOM 564 OE1 GLU A 36 11.080 -2.246 10.424 1.00 0.00 O ATOM 565 OE2 GLU A 36 11.200 -4.015 11.737 1.00 0.00 O ATOM 0 H GLU A 36 9.409 -2.643 7.640 1.00 0.00 H new ATOM 0 HA GLU A 36 11.340 -4.274 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.976 -5.172 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.986 -3.423 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.417 -4.046 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.357 -5.391 9.843 1.00 0.00 H new ATOM 572 N LYS A 37 8.373 -5.230 7.131 1.00 0.00 N ATOM 573 CA LYS A 37 7.369 -6.288 7.013 1.00 0.00 C ATOM 574 C LYS A 37 6.853 -6.507 5.595 1.00 0.00 C ATOM 575 O LYS A 37 6.199 -7.526 5.374 1.00 0.00 O ATOM 576 CB LYS A 37 6.169 -6.005 7.927 1.00 0.00 C ATOM 577 CG LYS A 37 6.534 -5.998 9.417 1.00 0.00 C ATOM 578 CD LYS A 37 5.296 -5.863 10.309 1.00 0.00 C ATOM 579 CE LYS A 37 4.302 -7.013 10.089 1.00 0.00 C ATOM 580 NZ LYS A 37 3.397 -7.183 11.238 1.00 0.00 N ATOM 0 H LYS A 37 8.019 -4.373 7.556 1.00 0.00 H new ATOM 0 HA LYS A 37 7.887 -7.198 7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.737 -5.040 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.401 -6.758 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.062 -6.919 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.218 -5.174 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.603 -5.844 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.803 -4.913 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.716 -6.820 9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.850 -7.939 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.742 -7.969 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.954 -7.393 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.855 -6.308 11.385 1.00 0.00 H new ATOM 594 N GLY A 38 7.040 -5.562 4.671 1.00 0.00 N ATOM 595 CA GLY A 38 6.555 -5.722 3.309 1.00 0.00 C ATOM 596 C GLY A 38 5.032 -5.843 3.238 1.00 0.00 C ATOM 597 O GLY A 38 4.511 -6.606 2.423 1.00 0.00 O ATOM 0 H GLY A 38 7.524 -4.681 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.876 -4.870 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.007 -6.610 2.868 1.00 0.00 H new ATOM 601 N GLU A 39 4.288 -5.179 4.125 1.00 0.00 N ATOM 602 CA GLU A 39 2.836 -5.206 4.122 1.00 0.00 C ATOM 603 C GLU A 39 2.355 -3.770 4.281 1.00 0.00 C ATOM 604 O GLU A 39 3.073 -2.898 4.788 1.00 0.00 O ATOM 605 CB GLU A 39 2.268 -6.166 5.185 1.00 0.00 C ATOM 606 CG GLU A 39 2.470 -7.628 4.736 1.00 0.00 C ATOM 607 CD GLU A 39 1.665 -8.688 5.495 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.668 -8.382 6.183 1.00 0.00 O ATOM 609 OE2 GLU A 39 1.945 -9.893 5.311 1.00 0.00 O ATOM 0 H GLU A 39 4.686 -4.605 4.869 1.00 0.00 H new ATOM 0 HA GLU A 39 2.463 -5.607 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.764 -5.998 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.207 -5.967 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.218 -7.699 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.529 -7.871 4.828 1.00 0.00 H new ATOM 616 N ALA A 40 1.157 -3.532 3.761 1.00 0.00 N ATOM 617 CA ALA A 40 0.450 -2.273 3.768 1.00 0.00 C ATOM 618 C ALA A 40 -0.975 -2.609 4.179 1.00 0.00 C ATOM 619 O ALA A 40 -1.461 -3.693 3.862 1.00 0.00 O ATOM 620 CB ALA A 40 0.507 -1.628 2.384 1.00 0.00 C ATOM 0 H ALA A 40 0.625 -4.267 3.294 1.00 0.00 H new ATOM 0 HA ALA A 40 0.891 -1.552 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.030 -0.679 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.546 -1.452 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.045 -2.292 1.654 1.00 0.00 H new ATOM 626 N LEU A 41 -1.675 -1.709 4.863 1.00 0.00 N ATOM 627 CA LEU A 41 -3.044 -1.969 5.315 1.00 0.00 C ATOM 628 C LEU A 41 -3.854 -0.695 5.137 1.00 0.00 C ATOM 629 O LEU A 41 -3.246 0.377 5.096 1.00 0.00 O ATOM 630 CB LEU A 41 -3.050 -2.371 6.805 1.00 0.00 C ATOM 631 CG LEU A 41 -2.007 -3.420 7.248 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.944 -3.492 8.765 1.00 0.00 C ATOM 633 CD2 LEU A 41 -2.325 -4.836 6.780 1.00 0.00 C ATOM 0 H LEU A 41 -1.318 -0.789 5.119 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.473 -2.784 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.900 -1.470 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.041 -2.753 7.050 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.070 -3.090 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.205 -4.235 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.661 -2.518 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.921 -3.774 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.549 -5.517 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.288 -5.145 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.365 -4.859 5.691 1.00 0.00 H new ATOM 645 N VAL A 42 -5.180 -0.789 5.061 1.00 0.00 N ATOM 646 CA VAL A 42 -6.084 0.348 4.904 1.00 0.00 C ATOM 647 C VAL A 42 -7.272 0.254 5.853 1.00 0.00 C ATOM 648 O VAL A 42 -7.831 -0.821 6.063 1.00 0.00 O ATOM 649 CB VAL A 42 -6.592 0.412 3.449 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.672 1.482 3.224 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.418 0.678 2.518 1.00 0.00 C ATOM 0 H VAL A 42 -5.669 -1.683 5.108 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.528 1.254 5.145 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.054 -0.551 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.983 1.471 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.531 1.271 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.269 2.464 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.773 0.724 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.951 1.626 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.688 -0.126 2.614 1.00 0.00 H new ATOM 661 N GLU A 43 -7.688 1.413 6.362 1.00 0.00 N ATOM 662 CA GLU A 43 -8.830 1.546 7.252 1.00 0.00 C ATOM 663 C GLU A 43 -10.049 2.043 6.470 1.00 0.00 C ATOM 664 O GLU A 43 -11.161 1.623 6.774 1.00 0.00 O ATOM 665 CB GLU A 43 -8.476 2.503 8.392 1.00 0.00 C ATOM 666 CG GLU A 43 -9.546 2.505 9.489 1.00 0.00 C ATOM 667 CD GLU A 43 -10.812 3.306 9.170 1.00 0.00 C ATOM 668 OE1 GLU A 43 -10.696 4.425 8.622 1.00 0.00 O ATOM 669 OE2 GLU A 43 -11.908 2.818 9.532 1.00 0.00 O ATOM 0 H GLU A 43 -7.228 2.301 6.160 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.080 0.575 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.516 2.217 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.360 3.512 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.832 1.474 9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.105 2.903 10.403 1.00 0.00 H new ATOM 676 N GLY A 44 -9.842 2.890 5.453 1.00 0.00 N ATOM 677 CA GLY A 44 -10.911 3.451 4.631 1.00 0.00 C ATOM 678 C GLY A 44 -11.767 2.396 3.926 1.00 0.00 C ATOM 679 O GLY A 44 -11.491 1.197 3.994 1.00 0.00 O ATOM 0 H GLY A 44 -8.912 3.206 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.555 4.067 5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.473 4.110 3.881 1.00 0.00 H new ATOM 683 N THR A 45 -12.792 2.846 3.207 1.00 0.00 N ATOM 684 CA THR A 45 -13.742 2.013 2.493 1.00 0.00 C ATOM 685 C THR A 45 -13.256 1.724 1.072 1.00 0.00 C ATOM 686 O THR A 45 -13.989 1.132 0.277 1.00 0.00 O ATOM 687 CB THR A 45 -15.118 2.707 2.608 1.00 0.00 C ATOM 688 OG1 THR A 45 -16.184 1.815 2.359 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.268 3.930 1.693 1.00 0.00 C ATOM 0 H THR A 45 -12.987 3.842 3.105 1.00 0.00 H new ATOM 0 HA THR A 45 -13.840 1.017 2.926 1.00 0.00 H new ATOM 0 HB THR A 45 -15.164 3.053 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.952 1.230 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.258 4.366 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.509 4.670 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.144 3.625 0.654 1.00 0.00 H new ATOM 697 N ALA A 46 -12.024 2.140 0.753 1.00 0.00 N ATOM 698 CA ALA A 46 -11.432 1.940 -0.543 1.00 0.00 C ATOM 699 C ALA A 46 -11.490 0.469 -0.994 1.00 0.00 C ATOM 700 O ALA A 46 -11.472 -0.434 -0.153 1.00 0.00 O ATOM 701 CB ALA A 46 -9.980 2.409 -0.498 1.00 0.00 C ATOM 0 H ALA A 46 -11.415 2.630 1.408 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.003 2.519 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.520 2.262 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.947 3.467 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.435 1.833 0.250 1.00 0.00 H new ATOM 707 N ASP A 47 -11.525 0.225 -2.307 1.00 0.00 N ATOM 708 CA ASP A 47 -11.566 -1.132 -2.858 1.00 0.00 C ATOM 709 C ASP A 47 -10.152 -1.713 -2.914 1.00 0.00 C ATOM 710 O ASP A 47 -9.217 -0.982 -3.254 1.00 0.00 O ATOM 711 CB ASP A 47 -12.141 -1.169 -4.285 1.00 0.00 C ATOM 712 CG ASP A 47 -13.518 -1.838 -4.327 1.00 0.00 C ATOM 713 OD1 ASP A 47 -13.568 -3.090 -4.418 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.533 -1.111 -4.244 1.00 0.00 O ATOM 0 H ASP A 47 -11.526 0.959 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.212 -1.715 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.219 -0.153 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.455 -1.708 -4.939 1.00 0.00 H new ATOM 719 N PRO A 48 -9.966 -3.030 -2.714 1.00 0.00 N ATOM 720 CA PRO A 48 -8.645 -3.649 -2.758 1.00 0.00 C ATOM 721 C PRO A 48 -7.975 -3.534 -4.127 1.00 0.00 C ATOM 722 O PRO A 48 -6.771 -3.299 -4.198 1.00 0.00 O ATOM 723 CB PRO A 48 -8.877 -5.116 -2.394 1.00 0.00 C ATOM 724 CG PRO A 48 -10.369 -5.364 -2.581 1.00 0.00 C ATOM 725 CD PRO A 48 -10.981 -3.998 -2.321 1.00 0.00 C ATOM 0 HA PRO A 48 -7.967 -3.145 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.289 -5.774 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.574 -5.316 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.595 -5.722 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.744 -6.113 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.896 -3.862 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.247 -3.882 -1.270 1.00 0.00 H new ATOM 733 N LYS A 49 -8.754 -3.659 -5.205 1.00 0.00 N ATOM 734 CA LYS A 49 -8.258 -3.590 -6.573 1.00 0.00 C ATOM 735 C LYS A 49 -7.561 -2.261 -6.842 1.00 0.00 C ATOM 736 O LYS A 49 -6.465 -2.226 -7.394 1.00 0.00 O ATOM 737 CB LYS A 49 -9.377 -3.822 -7.605 1.00 0.00 C ATOM 738 CG LYS A 49 -10.363 -4.967 -7.315 1.00 0.00 C ATOM 739 CD LYS A 49 -11.577 -4.496 -6.490 1.00 0.00 C ATOM 740 CE LYS A 49 -12.788 -5.429 -6.569 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.267 -5.578 -7.955 1.00 0.00 N ATOM 0 H LYS A 49 -9.761 -3.813 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.530 -4.394 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.948 -2.898 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.912 -4.011 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.709 -5.393 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.846 -5.761 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.277 -4.396 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.873 -3.505 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.522 -6.407 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.592 -5.037 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.250 -5.918 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.222 -4.658 -8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.667 -6.263 -8.458 1.00 0.00 H new ATOM 755 N ALA A 50 -8.200 -1.151 -6.476 1.00 0.00 N ATOM 756 CA ALA A 50 -7.630 0.167 -6.696 1.00 0.00 C ATOM 757 C ALA A 50 -6.414 0.420 -5.797 1.00 0.00 C ATOM 758 O ALA A 50 -5.567 1.246 -6.126 1.00 0.00 O ATOM 759 CB ALA A 50 -8.727 1.202 -6.470 1.00 0.00 C ATOM 0 H ALA A 50 -9.115 -1.144 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.262 0.240 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.323 2.202 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.544 1.025 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.100 1.120 -5.449 1.00 0.00 H new ATOM 765 N LEU A 51 -6.331 -0.266 -4.655 1.00 0.00 N ATOM 766 CA LEU A 51 -5.229 -0.124 -3.713 1.00 0.00 C ATOM 767 C LEU A 51 -3.988 -0.812 -4.267 1.00 0.00 C ATOM 768 O LEU A 51 -2.956 -0.156 -4.373 1.00 0.00 O ATOM 769 CB LEU A 51 -5.602 -0.673 -2.328 1.00 0.00 C ATOM 770 CG LEU A 51 -6.579 0.224 -1.544 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.164 -0.574 -0.375 1.00 0.00 C ATOM 772 CD2 LEU A 51 -5.891 1.475 -0.987 1.00 0.00 C ATOM 0 H LEU A 51 -7.036 -0.941 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.013 0.937 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.047 -1.661 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.692 -0.802 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.361 0.544 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.857 0.055 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.694 -1.446 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.358 -0.900 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.618 2.078 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.087 1.179 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.478 2.060 -1.809 1.00 0.00 H new ATOM 784 N VAL A 52 -4.069 -2.103 -4.614 1.00 0.00 N ATOM 785 CA VAL A 52 -2.934 -2.847 -5.159 1.00 0.00 C ATOM 786 C VAL A 52 -2.404 -2.128 -6.406 1.00 0.00 C ATOM 787 O VAL A 52 -1.200 -1.906 -6.529 1.00 0.00 O ATOM 788 CB VAL A 52 -3.323 -4.334 -5.367 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.332 -4.610 -6.480 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.096 -5.217 -5.583 1.00 0.00 C ATOM 0 H VAL A 52 -4.921 -2.656 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.101 -2.870 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.823 -4.588 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.529 -5.681 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.261 -4.080 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.927 -4.266 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.412 -6.251 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.555 -4.878 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.444 -5.153 -4.712 1.00 0.00 H new ATOM 800 N GLN A 53 -3.323 -1.695 -7.273 1.00 0.00 N ATOM 801 CA GLN A 53 -3.065 -0.985 -8.512 1.00 0.00 C ATOM 802 C GLN A 53 -2.189 0.239 -8.275 1.00 0.00 C ATOM 803 O GLN A 53 -1.150 0.389 -8.913 1.00 0.00 O ATOM 804 CB GLN A 53 -4.432 -0.611 -9.098 1.00 0.00 C ATOM 805 CG GLN A 53 -4.406 0.244 -10.367 1.00 0.00 C ATOM 806 CD GLN A 53 -4.525 1.733 -10.047 1.00 0.00 C ATOM 807 OE1 GLN A 53 -3.540 2.455 -9.951 1.00 0.00 O ATOM 808 NE2 GLN A 53 -5.727 2.242 -9.853 1.00 0.00 N ATOM 0 H GLN A 53 -4.320 -1.842 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.512 -1.609 -9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.976 -1.530 -9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.998 -0.077 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.479 0.061 -10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.224 -0.054 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.552 1.647 -9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.831 3.231 -9.625 1.00 0.00 H new ATOM 817 N ALA A 54 -2.574 1.090 -7.322 1.00 0.00 N ATOM 818 CA ALA A 54 -1.823 2.295 -7.035 1.00 0.00 C ATOM 819 C ALA A 54 -0.369 2.003 -6.649 1.00 0.00 C ATOM 820 O ALA A 54 0.518 2.783 -6.981 1.00 0.00 O ATOM 821 CB ALA A 54 -2.551 3.094 -5.959 1.00 0.00 C ATOM 0 H ALA A 54 -3.402 0.960 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.767 2.892 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.990 4.002 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.547 3.359 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.637 2.492 -5.054 1.00 0.00 H new ATOM 827 N VAL A 55 -0.096 0.909 -5.935 1.00 0.00 N ATOM 828 CA VAL A 55 1.274 0.573 -5.546 1.00 0.00 C ATOM 829 C VAL A 55 2.051 0.133 -6.792 1.00 0.00 C ATOM 830 O VAL A 55 3.229 0.463 -6.939 1.00 0.00 O ATOM 831 CB VAL A 55 1.279 -0.515 -4.448 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.685 -0.740 -3.878 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.388 -0.122 -3.265 1.00 0.00 C ATOM 0 H VAL A 55 -0.801 0.245 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 55 1.765 1.449 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 55 0.910 -1.420 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.647 -1.512 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.355 -1.057 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.054 0.188 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.415 -0.909 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.751 0.809 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.637 0.014 -3.611 1.00 0.00 H new ATOM 843 N GLU A 56 1.411 -0.647 -7.670 1.00 0.00 N ATOM 844 CA GLU A 56 2.010 -1.145 -8.907 1.00 0.00 C ATOM 845 C GLU A 56 2.401 0.024 -9.816 1.00 0.00 C ATOM 846 O GLU A 56 3.439 -0.041 -10.476 1.00 0.00 O ATOM 847 CB GLU A 56 1.053 -2.129 -9.598 1.00 0.00 C ATOM 848 CG GLU A 56 0.710 -3.433 -8.850 1.00 0.00 C ATOM 849 CD GLU A 56 1.682 -4.587 -9.098 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.845 -4.352 -9.481 1.00 0.00 O ATOM 851 OE2 GLU A 56 1.293 -5.766 -8.943 1.00 0.00 O ATOM 0 H GLU A 56 0.447 -0.953 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 56 2.925 -1.691 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.120 -1.603 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.485 -2.398 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.680 -3.225 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.291 -3.750 -9.141 1.00 0.00 H new ATOM 858 N GLU A 57 1.639 1.120 -9.800 1.00 0.00 N ATOM 859 CA GLU A 57 1.900 2.314 -10.600 1.00 0.00 C ATOM 860 C GLU A 57 3.199 3.010 -10.174 1.00 0.00 C ATOM 861 O GLU A 57 3.806 3.737 -10.968 1.00 0.00 O ATOM 862 CB GLU A 57 0.693 3.257 -10.502 1.00 0.00 C ATOM 863 CG GLU A 57 -0.431 2.822 -11.450 1.00 0.00 C ATOM 864 CD GLU A 57 -0.172 3.351 -12.856 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.661 2.783 -13.593 1.00 0.00 O ATOM 866 OE2 GLU A 57 -0.740 4.414 -13.191 1.00 0.00 O ATOM 0 H GLU A 57 0.806 1.202 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 57 2.038 2.021 -11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.322 3.272 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.002 4.274 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.498 1.734 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.388 3.194 -11.085 1.00 0.00 H new ATOM 873 N GLU A 58 3.657 2.804 -8.934 1.00 0.00 N ATOM 874 CA GLU A 58 4.895 3.398 -8.446 1.00 0.00 C ATOM 875 C GLU A 58 6.097 2.504 -8.804 1.00 0.00 C ATOM 876 O GLU A 58 7.230 2.809 -8.421 1.00 0.00 O ATOM 877 CB GLU A 58 4.807 3.721 -6.945 1.00 0.00 C ATOM 878 CG GLU A 58 3.668 4.678 -6.546 1.00 0.00 C ATOM 879 CD GLU A 58 3.577 6.020 -7.295 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.517 6.437 -8.009 1.00 0.00 O ATOM 881 OE2 GLU A 58 2.551 6.721 -7.129 1.00 0.00 O ATOM 0 H GLU A 58 3.178 2.222 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 58 5.050 4.353 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.685 2.788 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.754 4.157 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.723 4.152 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.765 4.892 -5.482 1.00 0.00 H new ATOM 888 N GLY A 59 5.873 1.411 -9.539 1.00 0.00 N ATOM 889 CA GLY A 59 6.886 0.471 -9.991 1.00 0.00 C ATOM 890 C GLY A 59 7.200 -0.644 -9.000 1.00 0.00 C ATOM 891 O GLY A 59 8.156 -1.378 -9.240 1.00 0.00 O ATOM 0 H GLY A 59 4.935 1.151 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.556 0.024 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.803 1.020 -10.204 1.00 0.00 H new ATOM 895 N TYR A 60 6.494 -0.740 -7.875 1.00 0.00 N ATOM 896 CA TYR A 60 6.711 -1.790 -6.877 1.00 0.00 C ATOM 897 C TYR A 60 5.772 -2.945 -7.225 1.00 0.00 C ATOM 898 O TYR A 60 4.987 -2.821 -8.169 1.00 0.00 O ATOM 899 CB TYR A 60 6.415 -1.244 -5.468 1.00 0.00 C ATOM 900 CG TYR A 60 7.360 -0.157 -4.996 1.00 0.00 C ATOM 901 CD1 TYR A 60 7.166 1.167 -5.424 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.447 -0.468 -4.160 1.00 0.00 C ATOM 903 CE1 TYR A 60 8.061 2.181 -5.051 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.352 0.540 -3.779 1.00 0.00 C ATOM 905 CZ TYR A 60 9.171 1.867 -4.233 1.00 0.00 C ATOM 906 OH TYR A 60 10.088 2.819 -3.907 1.00 0.00 O ATOM 0 H TYR A 60 5.750 -0.088 -7.627 1.00 0.00 H new ATOM 0 HA TYR A 60 7.746 -2.132 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.397 -0.854 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.451 -2.071 -4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.318 1.407 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.587 -1.480 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.903 3.195 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.187 0.299 -3.138 1.00 0.00 H new ATOM 0 HH TYR A 60 10.666 2.484 -3.190 1.00 0.00 H new ATOM 916 N LYS A 61 5.820 -4.057 -6.486 1.00 0.00 N ATOM 917 CA LYS A 61 4.930 -5.194 -6.724 1.00 0.00 C ATOM 918 C LYS A 61 4.026 -5.316 -5.510 1.00 0.00 C ATOM 919 O LYS A 61 4.556 -5.339 -4.398 1.00 0.00 O ATOM 920 CB LYS A 61 5.729 -6.482 -6.950 1.00 0.00 C ATOM 921 CG LYS A 61 4.764 -7.678 -6.994 1.00 0.00 C ATOM 922 CD LYS A 61 5.386 -8.962 -7.538 1.00 0.00 C ATOM 923 CE LYS A 61 5.832 -8.902 -9.003 1.00 0.00 C ATOM 924 NZ LYS A 61 4.797 -8.363 -9.911 1.00 0.00 N ATOM 0 H LYS A 61 6.471 -4.193 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 61 4.339 -5.035 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.289 -6.417 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.457 -6.617 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.390 -7.866 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.904 -7.415 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.249 -9.218 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.664 -9.771 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.727 -8.285 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.108 -9.904 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.130 -8.428 -10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.921 -8.914 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.611 -7.368 -9.674 1.00 0.00 H new ATOM 938 N ALA A 62 2.713 -5.481 -5.701 1.00 0.00 N ATOM 939 CA ALA A 62 1.794 -5.619 -4.585 1.00 0.00 C ATOM 940 C ALA A 62 0.829 -6.781 -4.792 1.00 0.00 C ATOM 941 O ALA A 62 0.731 -7.367 -5.874 1.00 0.00 O ATOM 942 CB ALA A 62 1.072 -4.293 -4.315 1.00 0.00 C ATOM 0 H ALA A 62 2.271 -5.521 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 62 2.371 -5.861 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.388 -4.416 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.804 -3.522 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.510 -3.998 -5.201 1.00 0.00 H new ATOM 948 N GLU A 63 0.122 -7.143 -3.723 1.00 0.00 N ATOM 949 CA GLU A 63 -0.857 -8.211 -3.700 1.00 0.00 C ATOM 950 C GLU A 63 -1.804 -8.019 -2.517 1.00 0.00 C ATOM 951 O GLU A 63 -1.405 -7.489 -1.483 1.00 0.00 O ATOM 952 CB GLU A 63 -0.110 -9.547 -3.589 1.00 0.00 C ATOM 953 CG GLU A 63 -1.050 -10.749 -3.678 1.00 0.00 C ATOM 954 CD GLU A 63 -0.488 -11.782 -4.642 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.487 -11.496 -5.863 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.039 -12.816 -4.177 1.00 0.00 O ATOM 0 H GLU A 63 0.224 -6.680 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.453 -8.202 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.634 -9.611 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.430 -9.581 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.179 -11.193 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.036 -10.426 -4.013 1.00 0.00 H new ATOM 963 N VAL A 64 -3.067 -8.404 -2.677 1.00 0.00 N ATOM 964 CA VAL A 64 -4.088 -8.317 -1.643 1.00 0.00 C ATOM 965 C VAL A 64 -3.996 -9.635 -0.864 1.00 0.00 C ATOM 966 O VAL A 64 -3.784 -10.693 -1.464 1.00 0.00 O ATOM 967 CB VAL A 64 -5.470 -8.107 -2.300 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.572 -7.904 -1.251 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.469 -6.892 -3.249 1.00 0.00 C ATOM 0 H VAL A 64 -3.415 -8.795 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.944 -7.474 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.675 -9.013 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.529 -7.760 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.628 -8.782 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.342 -7.026 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.458 -6.776 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.215 -5.993 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.733 -7.047 -4.038 1.00 0.00 H new ATOM 979 N LEU A 65 -4.160 -9.597 0.460 1.00 0.00 N ATOM 980 CA LEU A 65 -4.089 -10.783 1.319 1.00 0.00 C ATOM 981 C LEU A 65 -5.477 -11.157 1.858 1.00 0.00 C ATOM 982 O LEU A 65 -5.618 -11.579 3.013 1.00 0.00 O ATOM 983 CB LEU A 65 -3.019 -10.602 2.411 1.00 0.00 C ATOM 984 CG LEU A 65 -1.581 -10.376 1.911 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.639 -10.346 3.119 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.108 -11.463 0.939 1.00 0.00 C ATOM 0 H LEU A 65 -4.348 -8.735 0.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.767 -11.638 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.304 -9.755 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.026 -11.485 3.050 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.569 -9.430 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.384 -10.186 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.930 -9.535 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.700 -11.295 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.087 -11.248 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.137 -12.433 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.762 -11.482 0.068 1.00 0.00 H new ATOM 998 N ALA A 66 -6.505 -10.942 1.032 1.00 0.00 N ATOM 999 CA ALA A 66 -7.912 -11.216 1.268 1.00 0.00 C ATOM 1000 C ALA A 66 -8.540 -11.545 -0.081 1.00 0.00 C ATOM 1001 O ALA A 66 -8.441 -12.726 -0.497 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.573 -10.047 1.991 1.00 0.00 C ATOM 0 H ALA A 66 -6.354 -10.539 0.107 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.054 -12.070 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.626 -10.272 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.079 -9.886 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.486 -9.147 1.382 1.00 0.00 H new TER 1008 ALA A 66