USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 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 -170:sc= 0.528 USER MOD Set 1.2: A 60 TYR OH : rot -33:sc= 0.628 USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= 0.153 USER MOD Set 2.2: A 13 HIS : no HE2:sc=-0.00283 X(o=0.15,f=-0.011) USER MOD Set 3.1: A 1 MET CE :methyl 160:sc= -0.628 (180deg=-1.12) USER MOD Set 3.2: A 3 LYS NZ :NH3+ -178:sc= 0.0629 (180deg=0.0597) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.00452 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -162:sc=-0.000559 (180deg=-0.119) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0636 K(o=-0.064,f=-0.98) USER MOD Single : A 16 MET CE :methyl -159:sc= -0.0659 (180deg=-0.446) USER MOD Single : A 19 THR OG1 : rot 51:sc= 1.29 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -150:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.342) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 1.04 (180deg=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.859 -3.041 6.877 1.00 0.00 N ATOM 2 CA MET A 1 -9.396 -3.147 6.988 1.00 0.00 C ATOM 3 C MET A 1 -8.888 -4.244 6.067 1.00 0.00 C ATOM 4 O MET A 1 -9.418 -5.360 6.062 1.00 0.00 O ATOM 5 CB MET A 1 -8.968 -3.374 8.442 1.00 0.00 C ATOM 6 CG MET A 1 -7.456 -3.520 8.625 1.00 0.00 C ATOM 7 SD MET A 1 -6.834 -5.217 8.558 1.00 0.00 S ATOM 8 CE MET A 1 -5.109 -4.837 8.936 1.00 0.00 C ATOM 0 H1 MET A 1 -11.268 -2.880 7.820 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.103 -2.246 6.253 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.242 -3.923 6.480 1.00 0.00 H new ATOM 0 HA MET A 1 -8.946 -2.205 6.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.319 -2.539 9.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.459 -4.271 8.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.954 -2.935 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.179 -3.086 9.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.608 -5.737 9.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.610 -4.478 8.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.066 -4.067 9.706 1.00 0.00 H new ATOM 18 N LEU A 2 -7.863 -3.929 5.276 1.00 0.00 N ATOM 19 CA LEU A 2 -7.231 -4.848 4.336 1.00 0.00 C ATOM 20 C LEU A 2 -5.755 -5.000 4.697 1.00 0.00 C ATOM 21 O LEU A 2 -5.209 -4.217 5.477 1.00 0.00 O ATOM 22 CB LEU A 2 -7.460 -4.370 2.890 1.00 0.00 C ATOM 23 CG LEU A 2 -8.750 -4.961 2.296 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.254 -4.089 1.144 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.522 -6.390 1.789 1.00 0.00 C ATOM 0 H LEU A 2 -7.439 -3.001 5.273 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.683 -5.837 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.515 -3.282 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.609 -4.657 2.272 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.498 -4.986 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.167 -4.520 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.460 -3.084 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.494 -4.041 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.451 -6.782 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.754 -6.383 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.199 -7.022 2.616 1.00 0.00 H new ATOM 37 N LYS A 3 -5.133 -6.038 4.139 1.00 0.00 N ATOM 38 CA LYS A 3 -3.732 -6.398 4.318 1.00 0.00 C ATOM 39 C LYS A 3 -3.185 -6.656 2.926 1.00 0.00 C ATOM 40 O LYS A 3 -3.731 -7.493 2.197 1.00 0.00 O ATOM 41 CB LYS A 3 -3.588 -7.666 5.190 1.00 0.00 C ATOM 42 CG LYS A 3 -3.429 -7.303 6.669 1.00 0.00 C ATOM 43 CD LYS A 3 -3.394 -8.490 7.633 1.00 0.00 C ATOM 44 CE LYS A 3 -4.717 -9.252 7.712 1.00 0.00 C ATOM 45 NZ LYS A 3 -5.800 -8.459 8.331 1.00 0.00 N ATOM 0 H LYS A 3 -5.621 -6.683 3.517 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.189 -5.602 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.464 -8.302 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.724 -8.243 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.509 -6.731 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.251 -6.647 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.607 -9.177 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.130 -8.132 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.020 -9.550 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.570 -10.167 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.663 -9.036 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.513 -8.167 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.986 -7.615 7.753 1.00 0.00 H new ATOM 59 N LEU A 4 -2.126 -5.948 2.550 1.00 0.00 N ATOM 60 CA LEU A 4 -1.483 -6.085 1.254 1.00 0.00 C ATOM 61 C LEU A 4 -0.012 -6.340 1.449 1.00 0.00 C ATOM 62 O LEU A 4 0.636 -5.673 2.259 1.00 0.00 O ATOM 63 CB LEU A 4 -1.633 -4.806 0.417 1.00 0.00 C ATOM 64 CG LEU A 4 -2.672 -4.998 -0.709 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.696 -3.867 -0.832 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.963 -5.204 -2.043 1.00 0.00 C ATOM 0 H LEU A 4 -1.685 -5.251 3.150 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.961 -6.914 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.937 -3.980 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.670 -4.535 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.243 -5.885 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.385 -4.087 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.254 -3.778 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.179 -2.929 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.703 -5.339 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.349 -4.332 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.329 -6.089 -1.985 1.00 0.00 H new ATOM 78 N LYS A 5 0.478 -7.332 0.721 1.00 0.00 N ATOM 79 CA LYS A 5 1.854 -7.749 0.694 1.00 0.00 C ATOM 80 C LYS A 5 2.501 -6.898 -0.377 1.00 0.00 C ATOM 81 O LYS A 5 2.064 -6.899 -1.529 1.00 0.00 O ATOM 82 CB LYS A 5 1.947 -9.217 0.270 1.00 0.00 C ATOM 83 CG LYS A 5 3.383 -9.749 0.357 1.00 0.00 C ATOM 84 CD LYS A 5 3.533 -11.045 -0.445 1.00 0.00 C ATOM 85 CE LYS A 5 4.989 -11.512 -0.460 1.00 0.00 C ATOM 86 NZ LYS A 5 5.378 -12.182 0.793 1.00 0.00 N ATOM 0 H LYS A 5 -0.112 -7.891 0.104 1.00 0.00 H new ATOM 0 HA LYS A 5 2.327 -7.641 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.298 -9.820 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.582 -9.323 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.077 -8.999 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.646 -9.929 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.902 -11.821 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.187 -10.887 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.140 -12.195 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.641 -10.655 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.373 -12.480 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.261 -11.524 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.775 -13.016 0.942 1.00 0.00 H new ATOM 100 N VAL A 6 3.510 -6.150 0.008 1.00 0.00 N ATOM 101 CA VAL A 6 4.274 -5.304 -0.883 1.00 0.00 C ATOM 102 C VAL A 6 5.603 -6.007 -1.134 1.00 0.00 C ATOM 103 O VAL A 6 6.137 -6.687 -0.252 1.00 0.00 O ATOM 104 CB VAL A 6 4.511 -3.942 -0.229 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.129 -2.985 -1.252 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.211 -3.335 0.304 1.00 0.00 C ATOM 0 H VAL A 6 3.831 -6.112 0.975 1.00 0.00 H new ATOM 0 HA VAL A 6 3.742 -5.138 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 6 5.187 -4.090 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.298 -2.014 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.079 -3.390 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.451 -2.869 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.421 -2.368 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.508 -3.202 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.777 -4.002 1.049 1.00 0.00 H new ATOM 116 N GLU A 7 6.184 -5.777 -2.307 1.00 0.00 N ATOM 117 CA GLU A 7 7.444 -6.353 -2.695 1.00 0.00 C ATOM 118 C GLU A 7 8.236 -5.309 -3.496 1.00 0.00 C ATOM 119 O GLU A 7 7.750 -4.771 -4.500 1.00 0.00 O ATOM 120 CB GLU A 7 7.139 -7.645 -3.458 1.00 0.00 C ATOM 121 CG GLU A 7 8.427 -8.333 -3.878 1.00 0.00 C ATOM 122 CD GLU A 7 8.161 -9.706 -4.479 1.00 0.00 C ATOM 123 OE1 GLU A 7 7.656 -10.584 -3.741 1.00 0.00 O ATOM 124 OE2 GLU A 7 8.488 -9.886 -5.679 1.00 0.00 O ATOM 0 H GLU A 7 5.776 -5.172 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 7 8.076 -6.620 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.550 -8.314 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.536 -7.421 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.951 -7.713 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.084 -8.435 -3.014 1.00 0.00 H new ATOM 131 N GLY A 8 9.427 -4.954 -2.999 1.00 0.00 N ATOM 132 CA GLY A 8 10.340 -3.990 -3.613 1.00 0.00 C ATOM 133 C GLY A 8 10.707 -2.792 -2.735 1.00 0.00 C ATOM 134 O GLY A 8 11.600 -2.032 -3.113 1.00 0.00 O ATOM 0 H GLY A 8 9.791 -5.344 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.256 -4.509 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.888 -3.621 -4.534 1.00 0.00 H new ATOM 138 N MET A 9 10.042 -2.568 -1.593 1.00 0.00 N ATOM 139 CA MET A 9 10.372 -1.434 -0.727 1.00 0.00 C ATOM 140 C MET A 9 11.669 -1.714 0.029 1.00 0.00 C ATOM 141 O MET A 9 11.673 -2.550 0.933 1.00 0.00 O ATOM 142 CB MET A 9 9.273 -1.135 0.302 1.00 0.00 C ATOM 143 CG MET A 9 7.959 -0.664 -0.307 1.00 0.00 C ATOM 144 SD MET A 9 6.850 0.050 0.935 1.00 0.00 S ATOM 145 CE MET A 9 6.542 -1.375 2.023 1.00 0.00 C ATOM 0 H MET A 9 9.279 -3.153 -1.252 1.00 0.00 H new ATOM 0 HA MET A 9 10.477 -0.567 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.087 -2.034 0.889 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.635 -0.373 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.163 0.078 -1.079 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.464 -1.504 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.653 -1.187 2.625 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.388 -2.268 1.418 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.400 -1.524 2.679 1.00 0.00 H new ATOM 155 N THR A 10 12.738 -0.983 -0.279 1.00 0.00 N ATOM 156 CA THR A 10 14.037 -1.136 0.375 1.00 0.00 C ATOM 157 C THR A 10 14.525 0.185 0.991 1.00 0.00 C ATOM 158 O THR A 10 15.681 0.286 1.394 1.00 0.00 O ATOM 159 CB THR A 10 15.038 -1.826 -0.576 1.00 0.00 C ATOM 160 OG1 THR A 10 14.836 -1.500 -1.945 1.00 0.00 O ATOM 161 CG2 THR A 10 14.906 -3.345 -0.455 1.00 0.00 C ATOM 0 H THR A 10 12.727 -0.259 -0.998 1.00 0.00 H new ATOM 0 HA THR A 10 13.937 -1.804 1.231 1.00 0.00 H new ATOM 0 HB THR A 10 16.023 -1.470 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.501 -1.966 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.615 -3.827 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.117 -3.648 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.892 -3.644 -0.721 1.00 0.00 H new ATOM 169 N CYS A 11 13.667 1.206 1.077 1.00 0.00 N ATOM 170 CA CYS A 11 13.992 2.501 1.650 1.00 0.00 C ATOM 171 C CYS A 11 12.712 3.102 2.222 1.00 0.00 C ATOM 172 O CYS A 11 11.614 2.818 1.729 1.00 0.00 O ATOM 173 CB CYS A 11 14.561 3.383 0.531 1.00 0.00 C ATOM 174 SG CYS A 11 14.995 5.051 1.088 1.00 0.00 S ATOM 0 H CYS A 11 12.706 1.146 0.740 1.00 0.00 H new ATOM 0 HA CYS A 11 14.730 2.418 2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.447 2.904 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 11 13.829 3.455 -0.274 1.00 0.00 H new ATOM 0 HG CYS A 11 15.469 5.733 0.088 1.00 0.00 H new ATOM 180 N ASN A 12 12.845 3.944 3.249 1.00 0.00 N ATOM 181 CA ASN A 12 11.708 4.616 3.878 1.00 0.00 C ATOM 182 C ASN A 12 10.975 5.502 2.862 1.00 0.00 C ATOM 183 O ASN A 12 9.760 5.665 2.973 1.00 0.00 O ATOM 184 CB ASN A 12 12.133 5.422 5.115 1.00 0.00 C ATOM 185 CG ASN A 12 13.185 6.483 4.823 1.00 0.00 C ATOM 186 OD1 ASN A 12 12.934 7.447 4.109 1.00 0.00 O ATOM 187 ND2 ASN A 12 14.388 6.315 5.339 1.00 0.00 N ATOM 0 H ASN A 12 13.745 4.179 3.668 1.00 0.00 H new ATOM 0 HA ASN A 12 11.018 3.846 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.254 5.903 5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.521 4.737 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.125 6.993 5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.581 5.507 5.931 1.00 0.00 H new ATOM 194 N HIS A 13 11.666 6.015 1.834 1.00 0.00 N ATOM 195 CA HIS A 13 11.045 6.850 0.811 1.00 0.00 C ATOM 196 C HIS A 13 9.992 6.055 0.042 1.00 0.00 C ATOM 197 O HIS A 13 8.980 6.621 -0.361 1.00 0.00 O ATOM 198 CB HIS A 13 12.089 7.442 -0.137 1.00 0.00 C ATOM 199 CG HIS A 13 12.956 8.461 0.550 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.514 9.545 1.282 1.00 0.00 N ATOM 201 CD2 HIS A 13 14.323 8.480 0.557 1.00 0.00 C ATOM 202 CE1 HIS A 13 13.594 10.187 1.746 1.00 0.00 C ATOM 203 NE2 HIS A 13 14.718 9.587 1.314 1.00 0.00 N ATOM 0 H HIS A 13 12.664 5.861 1.694 1.00 0.00 H new ATOM 0 HA HIS A 13 10.551 7.684 1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.714 6.642 -0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.587 7.906 -0.986 1.00 0.00 H new ATOM 0 HD1 HIS A 13 11.542 9.809 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.976 7.772 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.566 11.063 2.378 1.00 0.00 H new ATOM 211 N CYS A 14 10.197 4.747 -0.133 1.00 0.00 N ATOM 212 CA CYS A 14 9.249 3.898 -0.832 1.00 0.00 C ATOM 213 C CYS A 14 7.955 3.856 -0.020 1.00 0.00 C ATOM 214 O CYS A 14 6.875 4.066 -0.563 1.00 0.00 O ATOM 215 CB CYS A 14 9.826 2.487 -1.018 1.00 0.00 C ATOM 216 SG CYS A 14 11.509 2.576 -1.695 1.00 0.00 S ATOM 0 H CYS A 14 11.023 4.255 0.207 1.00 0.00 H new ATOM 0 HA CYS A 14 9.046 4.300 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.839 1.963 -0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.187 1.911 -1.688 1.00 0.00 H new ATOM 0 HG CYS A 14 11.901 1.386 -2.041 1.00 0.00 H new ATOM 222 N VAL A 15 8.070 3.625 1.290 1.00 0.00 N ATOM 223 CA VAL A 15 6.946 3.545 2.210 1.00 0.00 C ATOM 224 C VAL A 15 6.131 4.836 2.155 1.00 0.00 C ATOM 225 O VAL A 15 4.929 4.801 1.882 1.00 0.00 O ATOM 226 CB VAL A 15 7.462 3.260 3.638 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.362 3.309 4.709 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.137 1.893 3.719 1.00 0.00 C ATOM 0 H VAL A 15 8.972 3.486 1.746 1.00 0.00 H new ATOM 0 HA VAL A 15 6.290 2.726 1.917 1.00 0.00 H new ATOM 0 HB VAL A 15 8.176 4.058 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.796 3.100 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.907 4.300 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.601 2.563 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.490 1.721 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.421 1.117 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.983 1.863 3.032 1.00 0.00 H new ATOM 238 N MET A 16 6.762 5.986 2.411 1.00 0.00 N ATOM 239 CA MET A 16 6.060 7.264 2.413 1.00 0.00 C ATOM 240 C MET A 16 5.480 7.651 1.046 1.00 0.00 C ATOM 241 O MET A 16 4.386 8.224 1.008 1.00 0.00 O ATOM 242 CB MET A 16 6.943 8.364 3.016 1.00 0.00 C ATOM 243 CG MET A 16 8.246 8.583 2.245 1.00 0.00 C ATOM 244 SD MET A 16 8.887 10.264 2.171 1.00 0.00 S ATOM 245 CE MET A 16 7.558 11.096 1.266 1.00 0.00 C ATOM 0 H MET A 16 7.758 6.053 2.619 1.00 0.00 H new ATOM 0 HA MET A 16 5.187 7.145 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.382 9.298 3.041 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.179 8.106 4.049 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.012 7.949 2.690 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.097 8.233 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.941 12.012 0.818 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.184 10.437 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.747 11.340 1.953 1.00 0.00 H new ATOM 255 N ALA A 17 6.158 7.349 -0.066 1.00 0.00 N ATOM 256 CA ALA A 17 5.651 7.676 -1.393 1.00 0.00 C ATOM 257 C ALA A 17 4.408 6.839 -1.657 1.00 0.00 C ATOM 258 O ALA A 17 3.356 7.362 -2.011 1.00 0.00 O ATOM 259 CB ALA A 17 6.700 7.378 -2.465 1.00 0.00 C ATOM 0 H ALA A 17 7.062 6.877 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 17 5.413 8.739 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.299 7.630 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.594 7.972 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.956 6.319 -2.439 1.00 0.00 H new ATOM 265 N VAL A 18 4.504 5.532 -1.422 1.00 0.00 N ATOM 266 CA VAL A 18 3.393 4.628 -1.648 1.00 0.00 C ATOM 267 C VAL A 18 2.247 4.968 -0.703 1.00 0.00 C ATOM 268 O VAL A 18 1.099 4.844 -1.103 1.00 0.00 O ATOM 269 CB VAL A 18 3.862 3.175 -1.585 1.00 0.00 C ATOM 270 CG1 VAL A 18 2.678 2.258 -1.894 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.963 2.914 -2.627 1.00 0.00 C ATOM 0 H VAL A 18 5.349 5.079 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 18 2.997 4.757 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 18 4.258 2.979 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.002 1.218 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.889 2.422 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.297 2.479 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.283 1.874 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.574 3.116 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.813 3.567 -2.430 1.00 0.00 H new ATOM 281 N THR A 19 2.517 5.458 0.510 1.00 0.00 N ATOM 282 CA THR A 19 1.463 5.855 1.441 1.00 0.00 C ATOM 283 C THR A 19 0.606 6.912 0.721 1.00 0.00 C ATOM 284 O THR A 19 -0.619 6.856 0.771 1.00 0.00 O ATOM 285 CB THR A 19 2.078 6.382 2.751 1.00 0.00 C ATOM 286 OG1 THR A 19 2.838 5.377 3.391 1.00 0.00 O ATOM 287 CG2 THR A 19 1.036 6.864 3.760 1.00 0.00 C ATOM 0 H THR A 19 3.463 5.589 0.869 1.00 0.00 H new ATOM 0 HA THR A 19 0.834 5.011 1.724 1.00 0.00 H new ATOM 0 HB THR A 19 2.699 7.226 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.468 4.985 2.750 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.538 7.222 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.454 7.675 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.372 6.039 4.019 1.00 0.00 H new ATOM 295 N LYS A 20 1.229 7.876 0.027 1.00 0.00 N ATOM 296 CA LYS A 20 0.491 8.899 -0.709 1.00 0.00 C ATOM 297 C LYS A 20 -0.242 8.268 -1.879 1.00 0.00 C ATOM 298 O LYS A 20 -1.435 8.514 -2.023 1.00 0.00 O ATOM 299 CB LYS A 20 1.415 10.024 -1.197 1.00 0.00 C ATOM 300 CG LYS A 20 1.814 10.973 -0.062 1.00 0.00 C ATOM 301 CD LYS A 20 2.983 11.865 -0.496 1.00 0.00 C ATOM 302 CE LYS A 20 3.326 12.884 0.595 1.00 0.00 C ATOM 303 NZ LYS A 20 4.483 13.706 0.203 1.00 0.00 N ATOM 0 H LYS A 20 2.243 7.964 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.235 9.345 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.312 9.590 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.914 10.589 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.962 11.591 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.096 10.397 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.856 11.249 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.726 12.386 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.465 13.526 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.544 12.364 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.696 14.389 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.308 13.092 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.263 14.219 -0.675 1.00 0.00 H new ATOM 317 N ALA A 21 0.433 7.426 -2.662 1.00 0.00 N ATOM 318 CA ALA A 21 -0.154 6.750 -3.811 1.00 0.00 C ATOM 319 C ALA A 21 -1.425 6.006 -3.422 1.00 0.00 C ATOM 320 O ALA A 21 -2.455 6.104 -4.084 1.00 0.00 O ATOM 321 CB ALA A 21 0.849 5.768 -4.409 1.00 0.00 C ATOM 0 H ALA A 21 1.415 7.194 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.410 7.508 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.401 5.268 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.741 6.308 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.123 5.026 -3.659 1.00 0.00 H new ATOM 327 N LEU A 22 -1.352 5.266 -2.322 1.00 0.00 N ATOM 328 CA LEU A 22 -2.443 4.475 -1.782 1.00 0.00 C ATOM 329 C LEU A 22 -3.596 5.389 -1.410 1.00 0.00 C ATOM 330 O LEU A 22 -4.758 5.053 -1.622 1.00 0.00 O ATOM 331 CB LEU A 22 -1.925 3.673 -0.575 1.00 0.00 C ATOM 332 CG LEU A 22 -1.438 2.275 -0.980 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.696 1.646 0.198 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.587 1.337 -1.380 1.00 0.00 C ATOM 0 H LEU A 22 -0.500 5.200 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.814 3.768 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.109 4.218 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.719 3.580 0.166 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.789 2.400 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.346 0.652 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.157 2.269 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.369 1.567 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.182 0.363 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.271 1.220 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.124 1.761 -2.229 1.00 0.00 H new ATOM 346 N LYS A 23 -3.294 6.570 -0.876 1.00 0.00 N ATOM 347 CA LYS A 23 -4.297 7.551 -0.490 1.00 0.00 C ATOM 348 C LYS A 23 -4.856 8.281 -1.714 1.00 0.00 C ATOM 349 O LYS A 23 -5.766 9.092 -1.523 1.00 0.00 O ATOM 350 CB LYS A 23 -3.718 8.481 0.591 1.00 0.00 C ATOM 351 CG LYS A 23 -3.455 7.660 1.864 1.00 0.00 C ATOM 352 CD LYS A 23 -2.544 8.323 2.897 1.00 0.00 C ATOM 353 CE LYS A 23 -3.362 9.206 3.831 1.00 0.00 C ATOM 354 NZ LYS A 23 -2.635 9.514 5.073 1.00 0.00 N ATOM 0 H LYS A 23 -2.336 6.873 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.157 7.051 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.793 8.938 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.414 9.293 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.412 7.439 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.014 6.706 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.019 7.560 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.784 8.920 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.618 10.134 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.300 8.706 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.226 10.117 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.412 8.630 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.752 10.014 4.844 1.00 0.00 H new ATOM 368 N LYS A 24 -4.328 8.096 -2.937 1.00 0.00 N ATOM 369 CA LYS A 24 -4.885 8.755 -4.127 1.00 0.00 C ATOM 370 C LYS A 24 -6.225 8.085 -4.445 1.00 0.00 C ATOM 371 O LYS A 24 -7.102 8.737 -5.014 1.00 0.00 O ATOM 372 CB LYS A 24 -3.972 8.635 -5.367 1.00 0.00 C ATOM 373 CG LYS A 24 -2.626 9.370 -5.254 1.00 0.00 C ATOM 374 CD LYS A 24 -1.682 9.018 -6.417 1.00 0.00 C ATOM 375 CE LYS A 24 -0.310 9.680 -6.216 1.00 0.00 C ATOM 376 NZ LYS A 24 0.682 9.238 -7.219 1.00 0.00 N ATOM 0 H LYS A 24 -3.522 7.500 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.990 9.817 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.778 7.579 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.508 9.021 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.800 10.446 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.149 9.112 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.564 7.936 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.118 9.349 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.421 10.763 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.059 9.448 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.590 9.712 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.810 8.208 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.345 9.482 -8.172 1.00 0.00 H new ATOM 390 N VAL A 25 -6.380 6.808 -4.071 1.00 0.00 N ATOM 391 CA VAL A 25 -7.578 6.017 -4.285 1.00 0.00 C ATOM 392 C VAL A 25 -8.743 6.734 -3.588 1.00 0.00 C ATOM 393 O VAL A 25 -8.672 6.972 -2.374 1.00 0.00 O ATOM 394 CB VAL A 25 -7.384 4.584 -3.751 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.620 3.710 -4.009 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.160 3.895 -4.364 1.00 0.00 C ATOM 0 H VAL A 25 -5.643 6.288 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.794 5.924 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.229 4.689 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.445 2.708 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.485 4.147 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.809 3.654 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.067 2.889 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.278 3.838 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.263 4.467 -4.127 1.00 0.00 H new ATOM 406 N PRO A 26 -9.796 7.119 -4.321 1.00 0.00 N ATOM 407 CA PRO A 26 -10.955 7.797 -3.765 1.00 0.00 C ATOM 408 C PRO A 26 -11.784 6.801 -2.942 1.00 0.00 C ATOM 409 O PRO A 26 -12.519 5.984 -3.498 1.00 0.00 O ATOM 410 CB PRO A 26 -11.684 8.375 -4.975 1.00 0.00 C ATOM 411 CG PRO A 26 -11.345 7.410 -6.108 1.00 0.00 C ATOM 412 CD PRO A 26 -9.961 6.892 -5.749 1.00 0.00 C ATOM 0 HA PRO A 26 -10.715 8.600 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.759 8.428 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.346 9.387 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.070 6.599 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.344 7.914 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.869 5.832 -5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.191 7.414 -6.317 1.00 0.00 H new ATOM 420 N GLY A 27 -11.637 6.868 -1.618 1.00 0.00 N ATOM 421 CA GLY A 27 -12.308 6.018 -0.639 1.00 0.00 C ATOM 422 C GLY A 27 -11.399 5.693 0.550 1.00 0.00 C ATOM 423 O GLY A 27 -11.840 5.095 1.523 1.00 0.00 O ATOM 0 H GLY A 27 -11.017 7.550 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.209 6.516 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.625 5.092 -1.118 1.00 0.00 H new ATOM 427 N VAL A 28 -10.119 6.060 0.505 1.00 0.00 N ATOM 428 CA VAL A 28 -9.166 5.788 1.573 1.00 0.00 C ATOM 429 C VAL A 28 -9.202 6.885 2.633 1.00 0.00 C ATOM 430 O VAL A 28 -9.268 8.074 2.313 1.00 0.00 O ATOM 431 CB VAL A 28 -7.780 5.640 0.934 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.701 5.404 1.991 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.806 4.455 -0.037 1.00 0.00 C ATOM 0 H VAL A 28 -9.713 6.561 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.424 4.865 2.092 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.541 6.564 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.731 5.303 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.676 6.248 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.926 4.492 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.825 4.340 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.060 3.545 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.551 4.636 -0.811 1.00 0.00 H new ATOM 443 N GLU A 29 -9.084 6.495 3.900 1.00 0.00 N ATOM 444 CA GLU A 29 -9.082 7.384 5.049 1.00 0.00 C ATOM 445 C GLU A 29 -7.675 7.377 5.640 1.00 0.00 C ATOM 446 O GLU A 29 -7.021 8.424 5.650 1.00 0.00 O ATOM 447 CB GLU A 29 -10.177 6.986 6.050 1.00 0.00 C ATOM 448 CG GLU A 29 -11.565 7.032 5.389 1.00 0.00 C ATOM 449 CD GLU A 29 -12.701 6.742 6.366 1.00 0.00 C ATOM 450 OE1 GLU A 29 -12.656 7.267 7.500 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.651 6.027 5.965 1.00 0.00 O ATOM 0 H GLU A 29 -8.984 5.514 4.159 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.325 8.406 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.983 5.982 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.155 7.659 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.717 8.016 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.598 6.307 4.576 1.00 0.00 H new ATOM 458 N LYS A 30 -7.170 6.216 6.063 1.00 0.00 N ATOM 459 CA LYS A 30 -5.841 6.047 6.650 1.00 0.00 C ATOM 460 C LYS A 30 -5.187 4.806 6.036 1.00 0.00 C ATOM 461 O LYS A 30 -5.869 3.932 5.499 1.00 0.00 O ATOM 462 CB LYS A 30 -6.003 5.970 8.186 1.00 0.00 C ATOM 463 CG LYS A 30 -4.724 5.801 9.019 1.00 0.00 C ATOM 464 CD LYS A 30 -3.868 7.067 9.041 1.00 0.00 C ATOM 465 CE LYS A 30 -2.682 6.900 9.997 1.00 0.00 C ATOM 466 NZ LYS A 30 -1.911 8.151 10.103 1.00 0.00 N ATOM 0 H LYS A 30 -7.692 5.341 6.004 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.180 6.887 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.505 6.878 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.667 5.137 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.993 5.530 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.137 4.976 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.505 7.284 8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.475 7.918 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.043 6.606 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.034 6.098 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.113 8.013 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.549 8.416 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.526 8.908 10.463 1.00 0.00 H new ATOM 480 N VAL A 31 -3.856 4.755 6.080 1.00 0.00 N ATOM 481 CA VAL A 31 -3.050 3.660 5.557 1.00 0.00 C ATOM 482 C VAL A 31 -1.885 3.465 6.523 1.00 0.00 C ATOM 483 O VAL A 31 -1.346 4.458 7.024 1.00 0.00 O ATOM 484 CB VAL A 31 -2.535 3.987 4.137 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.859 2.814 3.423 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.640 4.509 3.212 1.00 0.00 C ATOM 0 H VAL A 31 -3.295 5.499 6.494 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.643 2.749 5.477 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.791 4.762 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.528 3.132 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.999 2.482 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.568 1.992 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.221 4.722 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.422 3.755 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.064 5.421 3.631 1.00 0.00 H new ATOM 496 N GLU A 32 -1.442 2.225 6.715 1.00 0.00 N ATOM 497 CA GLU A 32 -0.362 1.820 7.589 1.00 0.00 C ATOM 498 C GLU A 32 0.702 1.056 6.781 1.00 0.00 C ATOM 499 O GLU A 32 0.745 -0.177 6.799 1.00 0.00 O ATOM 500 CB GLU A 32 -0.962 0.930 8.682 1.00 0.00 C ATOM 501 CG GLU A 32 -1.795 1.639 9.757 1.00 0.00 C ATOM 502 CD GLU A 32 -2.456 0.616 10.697 1.00 0.00 C ATOM 503 OE1 GLU A 32 -1.737 -0.213 11.307 1.00 0.00 O ATOM 504 OE2 GLU A 32 -3.708 0.589 10.785 1.00 0.00 O ATOM 0 H GLU A 32 -1.860 1.431 6.230 1.00 0.00 H new ATOM 0 HA GLU A 32 0.123 2.686 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.590 0.178 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.148 0.399 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.158 2.311 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.561 2.253 9.284 1.00 0.00 H new ATOM 511 N VAL A 33 1.537 1.761 6.016 1.00 0.00 N ATOM 512 CA VAL A 33 2.603 1.129 5.227 1.00 0.00 C ATOM 513 C VAL A 33 3.821 0.976 6.143 1.00 0.00 C ATOM 514 O VAL A 33 4.084 1.874 6.948 1.00 0.00 O ATOM 515 CB VAL A 33 2.905 1.941 3.949 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.805 1.151 2.985 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.633 2.339 3.185 1.00 0.00 C ATOM 0 H VAL A 33 1.497 2.776 5.924 1.00 0.00 H new ATOM 0 HA VAL A 33 2.298 0.144 4.873 1.00 0.00 H new ATOM 0 HB VAL A 33 3.411 2.843 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.999 1.750 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.749 0.917 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.306 0.225 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.906 2.908 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.090 1.441 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.999 2.951 3.827 1.00 0.00 H new ATOM 527 N SER A 34 4.579 -0.115 6.023 1.00 0.00 N ATOM 528 CA SER A 34 5.749 -0.388 6.833 1.00 0.00 C ATOM 529 C SER A 34 6.844 -1.036 5.983 1.00 0.00 C ATOM 530 O SER A 34 6.570 -1.958 5.215 1.00 0.00 O ATOM 531 CB SER A 34 5.288 -1.288 7.968 1.00 0.00 C ATOM 532 OG SER A 34 4.320 -0.640 8.783 1.00 0.00 O ATOM 0 H SER A 34 4.384 -0.847 5.340 1.00 0.00 H new ATOM 0 HA SER A 34 6.185 0.525 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.866 -2.205 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.145 -1.576 8.577 1.00 0.00 H new ATOM 0 HG SER A 34 4.386 -0.978 9.701 1.00 0.00 H new ATOM 538 N LEU A 35 8.078 -0.539 6.120 1.00 0.00 N ATOM 539 CA LEU A 35 9.264 -0.984 5.392 1.00 0.00 C ATOM 540 C LEU A 35 9.600 -2.445 5.668 1.00 0.00 C ATOM 541 O LEU A 35 9.556 -3.282 4.770 1.00 0.00 O ATOM 542 CB LEU A 35 10.476 -0.086 5.754 1.00 0.00 C ATOM 543 CG LEU A 35 11.782 -0.458 5.018 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.622 -0.401 3.494 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.896 0.512 5.433 1.00 0.00 C ATOM 0 H LEU A 35 8.283 0.218 6.772 1.00 0.00 H new ATOM 0 HA LEU A 35 9.043 -0.897 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.227 0.950 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.649 -0.144 6.829 1.00 0.00 H new ATOM 0 HG LEU A 35 12.034 -1.482 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.565 -0.670 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.846 -1.101 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.340 0.609 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.818 0.250 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.608 1.530 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.054 0.446 6.509 1.00 0.00 H new ATOM 557 N GLU A 36 9.951 -2.717 6.919 1.00 0.00 N ATOM 558 CA GLU A 36 10.356 -4.007 7.459 1.00 0.00 C ATOM 559 C GLU A 36 9.278 -5.083 7.428 1.00 0.00 C ATOM 560 O GLU A 36 9.609 -6.262 7.333 1.00 0.00 O ATOM 561 CB GLU A 36 10.843 -3.764 8.882 1.00 0.00 C ATOM 562 CG GLU A 36 9.752 -3.217 9.816 1.00 0.00 C ATOM 563 CD GLU A 36 10.330 -2.663 11.111 1.00 0.00 C ATOM 564 OE1 GLU A 36 11.324 -1.902 11.044 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.759 -3.009 12.173 1.00 0.00 O ATOM 0 H GLU A 36 9.960 -1.989 7.633 1.00 0.00 H new ATOM 0 HA GLU A 36 11.142 -4.407 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.226 -4.699 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.676 -3.061 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.196 -2.432 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.042 -4.011 10.047 1.00 0.00 H new ATOM 572 N LYS A 37 8.004 -4.702 7.527 1.00 0.00 N ATOM 573 CA LYS A 37 6.901 -5.661 7.481 1.00 0.00 C ATOM 574 C LYS A 37 6.557 -6.024 6.034 1.00 0.00 C ATOM 575 O LYS A 37 5.821 -6.990 5.838 1.00 0.00 O ATOM 576 CB LYS A 37 5.646 -5.105 8.169 1.00 0.00 C ATOM 577 CG LYS A 37 5.838 -4.876 9.674 1.00 0.00 C ATOM 578 CD LYS A 37 4.671 -4.142 10.349 1.00 0.00 C ATOM 579 CE LYS A 37 3.362 -4.938 10.480 1.00 0.00 C ATOM 580 NZ LYS A 37 2.479 -4.887 9.288 1.00 0.00 N ATOM 0 H LYS A 37 7.710 -3.732 7.640 1.00 0.00 H new ATOM 0 HA LYS A 37 7.230 -6.554 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.367 -4.163 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.818 -5.797 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.978 -5.840 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.752 -4.304 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.988 -3.835 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.465 -3.232 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.606 -5.979 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.809 -4.561 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.489 -5.010 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.587 -3.967 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.741 -5.648 8.629 1.00 0.00 H new ATOM 594 N GLY A 38 7.027 -5.251 5.042 1.00 0.00 N ATOM 595 CA GLY A 38 6.738 -5.502 3.636 1.00 0.00 C ATOM 596 C GLY A 38 5.232 -5.474 3.412 1.00 0.00 C ATOM 597 O GLY A 38 4.711 -6.251 2.613 1.00 0.00 O ATOM 0 H GLY A 38 7.618 -4.435 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.222 -4.749 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.142 -6.469 3.338 1.00 0.00 H new ATOM 601 N GLU A 39 4.516 -4.601 4.127 1.00 0.00 N ATOM 602 CA GLU A 39 3.072 -4.519 4.026 1.00 0.00 C ATOM 603 C GLU A 39 2.575 -3.085 4.038 1.00 0.00 C ATOM 604 O GLU A 39 3.288 -2.140 4.392 1.00 0.00 O ATOM 605 CB GLU A 39 2.433 -5.269 5.209 1.00 0.00 C ATOM 606 CG GLU A 39 2.341 -6.785 4.999 1.00 0.00 C ATOM 607 CD GLU A 39 1.804 -7.461 6.258 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.926 -6.888 6.943 1.00 0.00 O ATOM 609 OE2 GLU A 39 2.310 -8.542 6.643 1.00 0.00 O ATOM 0 H GLU A 39 4.926 -3.939 4.786 1.00 0.00 H new ATOM 0 HA GLU A 39 2.787 -4.970 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.013 -5.070 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.432 -4.873 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.688 -7.003 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.325 -7.186 4.754 1.00 0.00 H new ATOM 616 N ALA A 40 1.306 -2.969 3.671 1.00 0.00 N ATOM 617 CA ALA A 40 0.507 -1.775 3.590 1.00 0.00 C ATOM 618 C ALA A 40 -0.899 -2.196 3.974 1.00 0.00 C ATOM 619 O ALA A 40 -1.405 -3.186 3.442 1.00 0.00 O ATOM 620 CB ALA A 40 0.552 -1.246 2.167 1.00 0.00 C ATOM 0 H ALA A 40 0.769 -3.792 3.399 1.00 0.00 H new ATOM 0 HA ALA A 40 0.864 -0.981 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.051 -0.341 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.583 -1.017 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.157 -2.000 1.486 1.00 0.00 H new ATOM 626 N LEU A 41 -1.518 -1.481 4.907 1.00 0.00 N ATOM 627 CA LEU A 41 -2.869 -1.776 5.379 1.00 0.00 C ATOM 628 C LEU A 41 -3.705 -0.546 5.115 1.00 0.00 C ATOM 629 O LEU A 41 -3.145 0.552 5.127 1.00 0.00 O ATOM 630 CB LEU A 41 -2.906 -2.067 6.886 1.00 0.00 C ATOM 631 CG LEU A 41 -1.733 -2.879 7.455 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.871 -3.003 8.967 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.701 -4.276 6.852 1.00 0.00 C ATOM 0 H LEU A 41 -1.094 -0.673 5.362 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.240 -2.660 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.952 -1.116 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.830 -2.601 7.108 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.809 -2.357 7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.035 -3.580 9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.870 -2.009 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.807 -3.508 9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.862 -4.833 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.632 -4.794 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.586 -4.203 5.771 1.00 0.00 H new ATOM 645 N VAL A 42 -5.017 -0.703 4.962 1.00 0.00 N ATOM 646 CA VAL A 42 -5.919 0.405 4.695 1.00 0.00 C ATOM 647 C VAL A 42 -7.101 0.400 5.654 1.00 0.00 C ATOM 648 O VAL A 42 -7.538 -0.635 6.168 1.00 0.00 O ATOM 649 CB VAL A 42 -6.344 0.339 3.211 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.477 1.299 2.814 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.126 0.668 2.342 1.00 0.00 C ATOM 0 H VAL A 42 -5.483 -1.608 5.021 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.413 1.355 4.867 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.725 -0.670 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.703 1.177 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.367 1.075 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.166 2.327 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.408 0.626 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.767 1.669 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.335 -0.057 2.535 1.00 0.00 H new ATOM 661 N GLU A 43 -7.619 1.602 5.864 1.00 0.00 N ATOM 662 CA GLU A 43 -8.747 1.989 6.668 1.00 0.00 C ATOM 663 C GLU A 43 -9.458 2.953 5.723 1.00 0.00 C ATOM 664 O GLU A 43 -8.908 3.992 5.346 1.00 0.00 O ATOM 665 CB GLU A 43 -8.248 2.630 7.966 1.00 0.00 C ATOM 666 CG GLU A 43 -9.298 2.670 9.078 1.00 0.00 C ATOM 667 CD GLU A 43 -10.073 3.988 9.096 1.00 0.00 C ATOM 668 OE1 GLU A 43 -9.556 4.977 9.660 1.00 0.00 O ATOM 669 OE2 GLU A 43 -11.215 4.031 8.589 1.00 0.00 O ATOM 0 H GLU A 43 -7.201 2.418 5.417 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.406 1.190 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.377 2.079 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.917 3.647 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.995 1.843 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.810 2.525 10.042 1.00 0.00 H new ATOM 676 N GLY A 44 -10.624 2.560 5.235 1.00 0.00 N ATOM 677 CA GLY A 44 -11.423 3.337 4.309 1.00 0.00 C ATOM 678 C GLY A 44 -12.430 2.424 3.626 1.00 0.00 C ATOM 679 O GLY A 44 -12.493 1.219 3.907 1.00 0.00 O ATOM 0 H GLY A 44 -11.050 1.666 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.941 4.136 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.782 3.811 3.566 1.00 0.00 H new ATOM 683 N THR A 45 -13.196 2.998 2.710 1.00 0.00 N ATOM 684 CA THR A 45 -14.241 2.360 1.938 1.00 0.00 C ATOM 685 C THR A 45 -13.722 1.875 0.584 1.00 0.00 C ATOM 686 O THR A 45 -14.459 1.247 -0.183 1.00 0.00 O ATOM 687 CB THR A 45 -15.380 3.394 1.814 1.00 0.00 C ATOM 688 OG1 THR A 45 -14.910 4.566 1.175 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.928 3.824 3.179 1.00 0.00 C ATOM 0 H THR A 45 -13.094 3.985 2.474 1.00 0.00 H new ATOM 0 HA THR A 45 -14.608 1.459 2.429 1.00 0.00 H new ATOM 0 HB THR A 45 -16.169 2.908 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.642 5.214 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.727 4.552 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.320 2.953 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.128 4.273 3.767 1.00 0.00 H new ATOM 697 N ALA A 46 -12.435 2.114 0.317 1.00 0.00 N ATOM 698 CA ALA A 46 -11.781 1.747 -0.924 1.00 0.00 C ATOM 699 C ALA A 46 -11.791 0.232 -1.149 1.00 0.00 C ATOM 700 O ALA A 46 -11.662 -0.537 -0.185 1.00 0.00 O ATOM 701 CB ALA A 46 -10.350 2.277 -0.932 1.00 0.00 C ATOM 0 H ALA A 46 -11.812 2.579 0.978 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.340 2.199 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.864 1.998 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.364 3.363 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.799 1.849 -0.095 1.00 0.00 H new ATOM 707 N ASP A 47 -11.915 -0.189 -2.406 1.00 0.00 N ATOM 708 CA ASP A 47 -11.955 -1.590 -2.833 1.00 0.00 C ATOM 709 C ASP A 47 -10.538 -2.160 -2.909 1.00 0.00 C ATOM 710 O ASP A 47 -9.617 -1.433 -3.288 1.00 0.00 O ATOM 711 CB ASP A 47 -12.618 -1.703 -4.210 1.00 0.00 C ATOM 712 CG ASP A 47 -14.123 -1.460 -4.138 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.785 -2.023 -3.237 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.648 -0.685 -4.966 1.00 0.00 O ATOM 0 H ASP A 47 -11.994 0.461 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.534 -2.156 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.166 -0.982 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.429 -2.694 -4.624 1.00 0.00 H new ATOM 719 N PRO A 48 -10.333 -3.468 -2.665 1.00 0.00 N ATOM 720 CA PRO A 48 -9.004 -4.070 -2.681 1.00 0.00 C ATOM 721 C PRO A 48 -8.233 -3.964 -3.995 1.00 0.00 C ATOM 722 O PRO A 48 -7.021 -3.762 -3.955 1.00 0.00 O ATOM 723 CB PRO A 48 -9.187 -5.537 -2.265 1.00 0.00 C ATOM 724 CG PRO A 48 -10.675 -5.805 -2.462 1.00 0.00 C ATOM 725 CD PRO A 48 -11.322 -4.442 -2.229 1.00 0.00 C ATOM 0 HA PRO A 48 -8.377 -3.505 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.579 -6.202 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.888 -5.696 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.885 -6.182 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.045 -6.550 -1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.247 -4.344 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.576 -4.302 -1.178 1.00 0.00 H new ATOM 733 N LYS A 49 -8.898 -4.100 -5.146 1.00 0.00 N ATOM 734 CA LYS A 49 -8.224 -4.029 -6.444 1.00 0.00 C ATOM 735 C LYS A 49 -7.617 -2.646 -6.655 1.00 0.00 C ATOM 736 O LYS A 49 -6.443 -2.540 -6.997 1.00 0.00 O ATOM 737 CB LYS A 49 -9.123 -4.450 -7.621 1.00 0.00 C ATOM 738 CG LYS A 49 -9.989 -5.702 -7.386 1.00 0.00 C ATOM 739 CD LYS A 49 -11.297 -5.396 -6.628 1.00 0.00 C ATOM 740 CE LYS A 49 -12.536 -5.556 -7.510 1.00 0.00 C ATOM 741 NZ LYS A 49 -12.959 -6.960 -7.660 1.00 0.00 N ATOM 0 H LYS A 49 -9.904 -4.260 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.416 -4.760 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.781 -3.617 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.491 -4.626 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.230 -6.156 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.412 -6.436 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.379 -6.061 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.259 -4.378 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.356 -4.979 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.331 -5.137 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.802 -7.006 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.190 -7.510 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.184 -7.357 -6.725 1.00 0.00 H new ATOM 755 N ALA A 50 -8.382 -1.584 -6.382 1.00 0.00 N ATOM 756 CA ALA A 50 -7.899 -0.218 -6.544 1.00 0.00 C ATOM 757 C ALA A 50 -6.660 0.067 -5.679 1.00 0.00 C ATOM 758 O ALA A 50 -5.860 0.938 -6.031 1.00 0.00 O ATOM 759 CB ALA A 50 -9.024 0.769 -6.218 1.00 0.00 C ATOM 0 H ALA A 50 -9.343 -1.650 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.594 -0.092 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.660 1.789 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.863 0.600 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.351 0.621 -5.189 1.00 0.00 H new ATOM 765 N LEU A 51 -6.500 -0.638 -4.551 1.00 0.00 N ATOM 766 CA LEU A 51 -5.367 -0.475 -3.647 1.00 0.00 C ATOM 767 C LEU A 51 -4.100 -1.025 -4.291 1.00 0.00 C ATOM 768 O LEU A 51 -3.118 -0.291 -4.383 1.00 0.00 O ATOM 769 CB LEU A 51 -5.610 -1.154 -2.288 1.00 0.00 C ATOM 770 CG LEU A 51 -6.812 -0.601 -1.507 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.000 -1.396 -0.212 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.654 0.887 -1.201 1.00 0.00 C ATOM 0 H LEU A 51 -7.166 -1.346 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.246 0.592 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.758 -2.222 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.714 -1.046 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.698 -0.711 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.854 -0.999 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.178 -2.444 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.103 -1.311 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.525 1.239 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.757 1.042 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.568 1.443 -2.134 1.00 0.00 H new ATOM 784 N VAL A 52 -4.088 -2.300 -4.703 1.00 0.00 N ATOM 785 CA VAL A 52 -2.908 -2.895 -5.343 1.00 0.00 C ATOM 786 C VAL A 52 -2.526 -2.075 -6.578 1.00 0.00 C ATOM 787 O VAL A 52 -1.360 -1.717 -6.739 1.00 0.00 O ATOM 788 CB VAL A 52 -3.091 -4.408 -5.627 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.453 -4.847 -6.168 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.033 -4.969 -6.579 1.00 0.00 C ATOM 0 H VAL A 52 -4.879 -2.937 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.068 -2.851 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.989 -4.817 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.452 -5.926 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.231 -4.585 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.648 -4.343 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.214 -6.032 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.087 -4.444 -7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.043 -4.831 -6.145 1.00 0.00 H new ATOM 800 N GLN A 53 -3.518 -1.715 -7.390 1.00 0.00 N ATOM 801 CA GLN A 53 -3.373 -0.945 -8.610 1.00 0.00 C ATOM 802 C GLN A 53 -2.556 0.333 -8.369 1.00 0.00 C ATOM 803 O GLN A 53 -1.608 0.600 -9.104 1.00 0.00 O ATOM 804 CB GLN A 53 -4.801 -0.680 -9.104 1.00 0.00 C ATOM 805 CG GLN A 53 -4.936 -0.090 -10.503 1.00 0.00 C ATOM 806 CD GLN A 53 -6.402 0.278 -10.745 1.00 0.00 C ATOM 807 OE1 GLN A 53 -7.292 -0.572 -10.698 1.00 0.00 O ATOM 808 NE2 GLN A 53 -6.693 1.548 -10.962 1.00 0.00 N ATOM 0 H GLN A 53 -4.488 -1.967 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.809 -1.480 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.352 -1.620 -9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.286 -0.004 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.304 0.793 -10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.599 -0.809 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.947 2.243 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.663 1.834 -11.093 1.00 0.00 H new ATOM 817 N ALA A 54 -2.873 1.099 -7.321 1.00 0.00 N ATOM 818 CA ALA A 54 -2.177 2.340 -6.990 1.00 0.00 C ATOM 819 C ALA A 54 -0.712 2.141 -6.576 1.00 0.00 C ATOM 820 O ALA A 54 0.064 3.100 -6.607 1.00 0.00 O ATOM 821 CB ALA A 54 -2.920 3.032 -5.843 1.00 0.00 C ATOM 0 H ALA A 54 -3.628 0.870 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.169 2.944 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.410 3.960 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.942 3.253 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.938 2.376 -4.973 1.00 0.00 H new ATOM 827 N VAL A 55 -0.330 0.939 -6.140 1.00 0.00 N ATOM 828 CA VAL A 55 1.028 0.627 -5.708 1.00 0.00 C ATOM 829 C VAL A 55 1.830 0.167 -6.913 1.00 0.00 C ATOM 830 O VAL A 55 3.024 0.460 -7.007 1.00 0.00 O ATOM 831 CB VAL A 55 0.985 -0.438 -4.603 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.401 -0.795 -4.129 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.163 0.069 -3.414 1.00 0.00 C ATOM 0 H VAL A 55 -0.967 0.145 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 55 1.514 1.509 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 55 0.518 -1.332 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.343 -1.551 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.978 -1.184 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.889 0.097 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.139 -0.694 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.618 0.977 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.854 0.286 -3.741 1.00 0.00 H new ATOM 843 N GLU A 56 1.183 -0.550 -7.828 1.00 0.00 N ATOM 844 CA GLU A 56 1.817 -1.019 -9.040 1.00 0.00 C ATOM 845 C GLU A 56 2.213 0.227 -9.855 1.00 0.00 C ATOM 846 O GLU A 56 3.286 0.245 -10.453 1.00 0.00 O ATOM 847 CB GLU A 56 0.864 -1.969 -9.769 1.00 0.00 C ATOM 848 CG GLU A 56 0.670 -3.328 -9.089 1.00 0.00 C ATOM 849 CD GLU A 56 -0.307 -4.174 -9.916 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.512 -3.832 -9.956 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.110 -5.137 -10.596 1.00 0.00 O ATOM 0 H GLU A 56 0.203 -0.819 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 56 2.722 -1.596 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.107 -1.484 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.239 -2.134 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.627 -3.842 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.285 -3.190 -8.079 1.00 0.00 H new ATOM 858 N GLU A 57 1.416 1.309 -9.792 1.00 0.00 N ATOM 859 CA GLU A 57 1.697 2.566 -10.488 1.00 0.00 C ATOM 860 C GLU A 57 2.979 3.219 -9.950 1.00 0.00 C ATOM 861 O GLU A 57 3.597 4.008 -10.662 1.00 0.00 O ATOM 862 CB GLU A 57 0.541 3.569 -10.333 1.00 0.00 C ATOM 863 CG GLU A 57 -0.686 3.220 -11.179 1.00 0.00 C ATOM 864 CD GLU A 57 -1.678 4.383 -11.241 1.00 0.00 C ATOM 865 OE1 GLU A 57 -2.200 4.815 -10.181 1.00 0.00 O ATOM 866 OE2 GLU A 57 -1.943 4.871 -12.359 1.00 0.00 O ATOM 0 H GLU A 57 0.552 1.330 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 57 1.821 2.317 -11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.248 3.615 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.893 4.563 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.370 2.957 -12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.179 2.343 -10.761 1.00 0.00 H new ATOM 873 N GLU A 58 3.369 2.950 -8.699 1.00 0.00 N ATOM 874 CA GLU A 58 4.583 3.502 -8.106 1.00 0.00 C ATOM 875 C GLU A 58 5.815 2.680 -8.529 1.00 0.00 C ATOM 876 O GLU A 58 6.932 3.043 -8.152 1.00 0.00 O ATOM 877 CB GLU A 58 4.483 3.527 -6.570 1.00 0.00 C ATOM 878 CG GLU A 58 3.628 4.632 -5.945 1.00 0.00 C ATOM 879 CD GLU A 58 4.227 6.036 -6.060 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.395 6.229 -5.644 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.485 6.955 -6.485 1.00 0.00 O ATOM 0 H GLU A 58 2.846 2.340 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 58 4.694 4.524 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.087 2.566 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.492 3.611 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.647 4.629 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.472 4.402 -4.891 1.00 0.00 H new ATOM 888 N GLY A 59 5.656 1.575 -9.266 1.00 0.00 N ATOM 889 CA GLY A 59 6.761 0.739 -9.722 1.00 0.00 C ATOM 890 C GLY A 59 7.081 -0.431 -8.797 1.00 0.00 C ATOM 891 O GLY A 59 8.205 -0.939 -8.831 1.00 0.00 O ATOM 0 H GLY A 59 4.741 1.236 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.524 0.351 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.652 1.359 -9.828 1.00 0.00 H new ATOM 895 N TYR A 60 6.158 -0.833 -7.920 1.00 0.00 N ATOM 896 CA TYR A 60 6.359 -1.959 -7.011 1.00 0.00 C ATOM 897 C TYR A 60 5.399 -3.084 -7.395 1.00 0.00 C ATOM 898 O TYR A 60 4.611 -2.946 -8.333 1.00 0.00 O ATOM 899 CB TYR A 60 6.230 -1.522 -5.548 1.00 0.00 C ATOM 900 CG TYR A 60 7.092 -0.331 -5.168 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.464 -0.474 -4.872 1.00 0.00 C ATOM 902 CD2 TYR A 60 6.498 0.939 -5.108 1.00 0.00 C ATOM 903 CE1 TYR A 60 9.241 0.652 -4.526 1.00 0.00 C ATOM 904 CE2 TYR A 60 7.263 2.055 -4.745 1.00 0.00 C ATOM 905 CZ TYR A 60 8.636 1.929 -4.467 1.00 0.00 C ATOM 906 OH TYR A 60 9.358 3.047 -4.186 1.00 0.00 O ATOM 0 H TYR A 60 5.248 -0.384 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 60 7.375 -2.341 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.187 -1.279 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.492 -2.363 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.922 -1.451 -4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.450 1.056 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.293 0.539 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.792 3.025 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 60 10.083 2.821 -3.567 1.00 0.00 H new ATOM 916 N LYS A 61 5.492 -4.213 -6.697 1.00 0.00 N ATOM 917 CA LYS A 61 4.648 -5.375 -6.930 1.00 0.00 C ATOM 918 C LYS A 61 3.847 -5.539 -5.658 1.00 0.00 C ATOM 919 O LYS A 61 4.464 -5.707 -4.605 1.00 0.00 O ATOM 920 CB LYS A 61 5.507 -6.628 -7.201 1.00 0.00 C ATOM 921 CG LYS A 61 6.186 -6.618 -8.579 1.00 0.00 C ATOM 922 CD LYS A 61 7.292 -7.678 -8.738 1.00 0.00 C ATOM 923 CE LYS A 61 6.826 -9.137 -8.885 1.00 0.00 C ATOM 924 NZ LYS A 61 6.477 -9.784 -7.603 1.00 0.00 N ATOM 0 H LYS A 61 6.167 -4.345 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 61 4.007 -5.246 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.272 -6.709 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.878 -7.515 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.429 -6.779 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.614 -5.631 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.889 -7.420 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.952 -7.616 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.958 -9.167 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.614 -9.713 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.437 -10.815 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.198 -9.554 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.550 -9.439 -7.281 1.00 0.00 H new ATOM 938 N ALA A 62 2.521 -5.404 -5.709 1.00 0.00 N ATOM 939 CA ALA A 62 1.709 -5.591 -4.510 1.00 0.00 C ATOM 940 C ALA A 62 0.676 -6.676 -4.790 1.00 0.00 C ATOM 941 O ALA A 62 0.299 -6.881 -5.946 1.00 0.00 O ATOM 942 CB ALA A 62 1.100 -4.266 -4.050 1.00 0.00 C ATOM 0 H ALA A 62 1.996 -5.170 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 62 2.325 -5.926 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.500 -4.433 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.897 -3.558 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.468 -3.862 -4.841 1.00 0.00 H new ATOM 948 N GLU A 63 0.202 -7.357 -3.750 1.00 0.00 N ATOM 949 CA GLU A 63 -0.784 -8.424 -3.841 1.00 0.00 C ATOM 950 C GLU A 63 -1.547 -8.510 -2.518 1.00 0.00 C ATOM 951 O GLU A 63 -0.975 -8.332 -1.442 1.00 0.00 O ATOM 952 CB GLU A 63 -0.112 -9.731 -4.278 1.00 0.00 C ATOM 953 CG GLU A 63 1.124 -10.193 -3.479 1.00 0.00 C ATOM 954 CD GLU A 63 2.058 -11.077 -4.320 1.00 0.00 C ATOM 955 OE1 GLU A 63 1.591 -11.666 -5.323 1.00 0.00 O ATOM 956 OE2 GLU A 63 3.262 -11.174 -3.991 1.00 0.00 O ATOM 0 H GLU A 63 0.504 -7.174 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.525 -8.213 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.858 -10.525 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.181 -9.627 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.673 -9.321 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.799 -10.745 -2.597 1.00 0.00 H new ATOM 963 N VAL A 64 -2.863 -8.698 -2.582 1.00 0.00 N ATOM 964 CA VAL A 64 -3.709 -8.760 -1.392 1.00 0.00 C ATOM 965 C VAL A 64 -3.519 -10.085 -0.648 1.00 0.00 C ATOM 966 O VAL A 64 -3.405 -11.148 -1.258 1.00 0.00 O ATOM 967 CB VAL A 64 -5.186 -8.483 -1.763 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.010 -8.113 -0.520 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.353 -7.307 -2.746 1.00 0.00 C ATOM 0 H VAL A 64 -3.373 -8.811 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.403 -7.976 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.533 -9.408 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.043 -7.924 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.979 -8.935 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.593 -7.217 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.411 -7.164 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.950 -6.399 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.817 -7.526 -3.669 1.00 0.00 H new ATOM 979 N LEU A 65 -3.500 -10.033 0.688 1.00 0.00 N ATOM 980 CA LEU A 65 -3.347 -11.196 1.567 1.00 0.00 C ATOM 981 C LEU A 65 -4.710 -11.661 2.099 1.00 0.00 C ATOM 982 O LEU A 65 -4.786 -12.297 3.149 1.00 0.00 O ATOM 983 CB LEU A 65 -2.383 -10.868 2.724 1.00 0.00 C ATOM 984 CG LEU A 65 -0.919 -10.652 2.310 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.089 -10.305 3.552 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.346 -11.900 1.620 1.00 0.00 C ATOM 0 H LEU A 65 -3.593 -9.157 1.201 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.920 -12.015 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.738 -9.970 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.423 -11.679 3.451 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.875 -9.829 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.951 -10.151 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.478 -9.394 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.149 -11.123 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.691 -11.716 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.392 -12.747 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.930 -12.123 0.727 1.00 0.00 H new ATOM 998 N ALA A 66 -5.798 -11.271 1.440 1.00 0.00 N ATOM 999 CA ALA A 66 -7.174 -11.593 1.764 1.00 0.00 C ATOM 1000 C ALA A 66 -7.859 -11.817 0.436 1.00 0.00 C ATOM 1001 O ALA A 66 -7.713 -10.939 -0.446 1.00 0.00 O ATOM 1002 CB ALA A 66 -7.832 -10.451 2.550 1.00 0.00 C ATOM 0 H ALA A 66 -5.731 -10.682 0.610 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.246 -12.475 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.864 -10.716 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.283 -10.284 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.817 -9.541 1.951 1.00 0.00 H new TER 1008 ALA A 66