USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 495 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 12 CYS SG : rot -160:sc= 0.906 USER MOD Set 1.2: A 15 CYS SG : rot 120:sc= -0.424! USER MOD Set 2.1: A 7 SER OG : rot 171:sc= -0.724 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -136:sc= -3.39 (180deg=-3.75!) USER MOD Set 3.1: A 4 HIS :FLIP no HD1:sc= -3.85! C(o=-13!,f=-6.6!) USER MOD Set 3.2: A 47 SER OG : rot -137:sc= -2.8! USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0497) USER MOD Single : A 10 MET CE :methyl -146:sc= -0.258 (180deg=-1.73!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -102:sc= 0.789 USER MOD Single : A 24 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.4!) USER MOD Single : A 25 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 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0.116 USER MOD Single : A 44 SER OG : rot 150:sc= -0.279 USER MOD Single : A 46 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.025) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -145:sc= -2.27! USER MOD Single : A 54 THR OG1 : rot 100:sc= 0.992 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.153) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0124) USER MOD Single : A 58 THR OG1 : rot 130:sc= -0.349 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -17.642 -16.876 -23.100 1.00 0.00 N ATOM 21 CA PRO A 2 -18.137 -15.742 -23.929 1.00 0.00 C ATOM 22 C PRO A 2 -17.486 -14.420 -23.535 1.00 0.00 C ATOM 23 O PRO A 2 -17.138 -14.211 -22.373 1.00 0.00 O ATOM 24 CB PRO A 2 -19.640 -15.719 -23.657 1.00 0.00 C ATOM 25 CG PRO A 2 -19.817 -16.343 -22.312 1.00 0.00 C ATOM 26 CD PRO A 2 -18.636 -17.294 -22.096 1.00 0.00 C ATOM 0 HA PRO A 2 -17.898 -15.870 -24.985 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.024 -14.699 -23.669 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.185 -16.274 -24.421 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.844 -15.580 -21.534 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.762 -16.884 -22.260 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.239 -17.211 -21.084 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.932 -18.334 -22.238 1.00 0.00 H new ATOM 34 N LYS A 3 -17.319 -13.537 -24.511 1.00 0.00 N ATOM 35 CA LYS A 3 -16.702 -12.240 -24.258 1.00 0.00 C ATOM 36 C LYS A 3 -17.764 -11.166 -24.048 1.00 0.00 C ATOM 37 O LYS A 3 -18.855 -11.240 -24.612 1.00 0.00 O ATOM 38 CB LYS A 3 -15.807 -11.851 -25.437 1.00 0.00 C ATOM 39 CG LYS A 3 -16.409 -12.394 -26.736 1.00 0.00 C ATOM 40 CD LYS A 3 -15.660 -11.804 -27.931 1.00 0.00 C ATOM 41 CE LYS A 3 -15.577 -12.846 -29.049 1.00 0.00 C ATOM 42 NZ LYS A 3 -14.521 -13.844 -28.720 1.00 0.00 N ATOM 0 H LYS A 3 -17.600 -13.693 -25.479 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.101 -12.318 -23.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.712 -10.767 -25.493 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.804 -12.252 -25.293 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.343 -13.482 -26.753 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.467 -12.138 -26.794 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.172 -10.911 -28.289 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.658 -11.498 -27.630 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.539 -13.344 -29.168 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.350 -12.360 -29.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.285 -14.394 -29.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.671 -13.351 -28.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.868 -14.486 -27.979 1.00 0.00 H new ATOM 56 N HIS A 4 -17.434 -10.165 -23.236 1.00 0.00 N ATOM 57 CA HIS A 4 -18.366 -9.079 -22.963 1.00 0.00 C ATOM 58 C HIS A 4 -17.852 -7.774 -23.563 1.00 0.00 C ATOM 59 O HIS A 4 -16.722 -7.364 -23.300 1.00 0.00 O ATOM 60 CB HIS A 4 -18.546 -8.911 -21.453 1.00 0.00 C ATOM 61 CG HIS A 4 -19.978 -8.562 -21.155 1.00 0.00 C ATOM 62 ND1 HIS A 4 -21.144 -9.272 -21.292 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 -20.344 -7.328 -20.641 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 -22.219 -8.494 -20.873 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 -21.682 -7.332 -20.490 1.00 0.00 N flip ATOM 0 H HIS A 4 -16.535 -10.085 -22.760 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.326 -9.325 -23.417 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.270 -9.831 -20.938 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.885 -8.128 -21.082 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -19.677 -6.512 -20.405 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.263 -8.770 -20.860 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.220 -6.545 -20.128 1.00 0.00 H new ATOM 73 N GLU A 5 -18.689 -7.126 -24.365 1.00 0.00 N ATOM 74 CA GLU A 5 -18.303 -5.868 -24.993 1.00 0.00 C ATOM 75 C GLU A 5 -18.926 -4.693 -24.251 1.00 0.00 C ATOM 76 O GLU A 5 -20.130 -4.676 -23.996 1.00 0.00 O ATOM 77 CB GLU A 5 -18.757 -5.850 -26.453 1.00 0.00 C ATOM 78 CG GLU A 5 -18.099 -7.005 -27.206 1.00 0.00 C ATOM 79 CD GLU A 5 -19.092 -7.622 -28.185 1.00 0.00 C ATOM 80 OE1 GLU A 5 -19.995 -6.917 -28.604 1.00 0.00 O ATOM 81 OE2 GLU A 5 -18.935 -8.790 -28.501 1.00 0.00 O ATOM 0 H GLU A 5 -19.630 -7.447 -24.594 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.217 -5.779 -24.952 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.842 -5.937 -26.509 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.489 -4.900 -26.916 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.221 -6.646 -27.743 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.754 -7.761 -26.500 1.00 0.00 H new ATOM 88 N PHE A 6 -18.100 -3.713 -23.906 1.00 0.00 N ATOM 89 CA PHE A 6 -18.585 -2.542 -23.189 1.00 0.00 C ATOM 90 C PHE A 6 -17.859 -1.285 -23.657 1.00 0.00 C ATOM 91 O PHE A 6 -16.648 -1.301 -23.877 1.00 0.00 O ATOM 92 CB PHE A 6 -18.370 -2.735 -21.684 1.00 0.00 C ATOM 93 CG PHE A 6 -19.672 -2.520 -20.951 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.237 -1.241 -20.889 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.313 -3.600 -20.335 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.444 -1.042 -20.208 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.519 -3.402 -19.653 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.086 -2.123 -19.590 1.00 0.00 C ATOM 0 H PHE A 6 -17.100 -3.705 -24.109 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.649 -2.423 -23.394 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.992 -3.738 -21.487 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.618 -2.034 -21.322 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -19.742 -0.408 -21.366 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.877 -4.587 -20.386 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -21.880 -0.055 -20.159 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -22.012 -4.236 -19.175 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.018 -1.970 -19.065 1.00 0.00 H new ATOM 108 N SER A 7 -18.608 -0.197 -23.804 1.00 0.00 N ATOM 109 CA SER A 7 -18.029 1.067 -24.242 1.00 0.00 C ATOM 110 C SER A 7 -18.102 2.098 -23.123 1.00 0.00 C ATOM 111 O SER A 7 -19.181 2.403 -22.616 1.00 0.00 O ATOM 112 CB SER A 7 -18.775 1.590 -25.470 1.00 0.00 C ATOM 113 OG SER A 7 -19.292 0.492 -26.209 1.00 0.00 O ATOM 0 H SER A 7 -19.612 -0.165 -23.627 1.00 0.00 H new ATOM 0 HA SER A 7 -16.984 0.897 -24.502 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.586 2.250 -25.163 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.103 2.179 -26.094 1.00 0.00 H new ATOM 0 HG SER A 7 -19.890 0.823 -26.911 1.00 0.00 H new ATOM 119 N VAL A 8 -16.947 2.626 -22.738 1.00 0.00 N ATOM 120 CA VAL A 8 -16.896 3.617 -21.672 1.00 0.00 C ATOM 121 C VAL A 8 -16.078 4.829 -22.104 1.00 0.00 C ATOM 122 O VAL A 8 -14.896 4.707 -22.426 1.00 0.00 O ATOM 123 CB VAL A 8 -16.274 2.991 -20.418 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.292 1.894 -20.833 1.00 0.00 C ATOM 125 CG2 VAL A 8 -15.527 4.062 -19.617 1.00 0.00 C ATOM 0 H VAL A 8 -16.042 2.388 -23.143 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.911 3.946 -21.451 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.064 2.565 -19.800 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.848 1.447 -19.943 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.821 1.127 -21.399 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.506 2.325 -21.453 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.088 3.611 -18.727 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.738 4.493 -20.233 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.224 4.846 -19.320 1.00 0.00 H new ATOM 135 N ASP A 9 -16.705 5.999 -22.093 1.00 0.00 N ATOM 136 CA ASP A 9 -16.009 7.221 -22.471 1.00 0.00 C ATOM 137 C ASP A 9 -15.101 7.658 -21.329 1.00 0.00 C ATOM 138 O ASP A 9 -15.574 8.015 -20.250 1.00 0.00 O ATOM 139 CB ASP A 9 -17.015 8.330 -22.784 1.00 0.00 C ATOM 140 CG ASP A 9 -16.656 8.997 -24.109 1.00 0.00 C ATOM 141 OD1 ASP A 9 -15.769 9.835 -24.107 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.276 8.660 -25.104 1.00 0.00 O ATOM 0 H ASP A 9 -17.682 6.127 -21.830 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.412 7.030 -23.362 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.022 7.916 -22.836 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.016 9.069 -21.983 1.00 0.00 H new ATOM 147 N MET A 10 -13.796 7.607 -21.562 1.00 0.00 N ATOM 148 CA MET A 10 -12.840 7.979 -20.530 1.00 0.00 C ATOM 149 C MET A 10 -12.916 9.471 -20.221 1.00 0.00 C ATOM 150 O MET A 10 -12.617 10.310 -21.070 1.00 0.00 O ATOM 151 CB MET A 10 -11.423 7.622 -20.983 1.00 0.00 C ATOM 152 CG MET A 10 -11.052 6.240 -20.446 1.00 0.00 C ATOM 153 SD MET A 10 -9.448 5.740 -21.120 1.00 0.00 S ATOM 154 CE MET A 10 -9.951 5.638 -22.854 1.00 0.00 C ATOM 0 H MET A 10 -13.380 7.315 -22.446 1.00 0.00 H new ATOM 0 HA MET A 10 -13.088 7.427 -19.623 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.365 7.629 -22.071 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.715 8.367 -20.621 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.010 6.261 -19.357 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.817 5.514 -20.722 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.403 4.834 -23.345 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.020 5.435 -22.911 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.734 6.583 -23.352 1.00 0.00 H new ATOM 164 N THR A 11 -13.299 9.788 -18.988 1.00 0.00 N ATOM 165 CA THR A 11 -13.389 11.178 -18.556 1.00 0.00 C ATOM 166 C THR A 11 -12.288 11.472 -17.546 1.00 0.00 C ATOM 167 O THR A 11 -11.739 12.573 -17.507 1.00 0.00 O ATOM 168 CB THR A 11 -14.759 11.451 -17.928 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.776 10.935 -18.775 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.950 12.960 -17.759 1.00 0.00 C ATOM 0 H THR A 11 -13.551 9.105 -18.274 1.00 0.00 H new ATOM 0 HA THR A 11 -13.267 11.827 -19.423 1.00 0.00 H new ATOM 0 HB THR A 11 -14.818 10.967 -16.953 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.654 11.107 -18.374 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.925 13.156 -17.312 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.168 13.355 -17.111 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.894 13.445 -18.733 1.00 0.00 H new ATOM 178 N CYS A 12 -11.970 10.467 -16.734 1.00 0.00 N ATOM 179 CA CYS A 12 -10.928 10.603 -15.724 1.00 0.00 C ATOM 180 C CYS A 12 -9.676 9.856 -16.162 1.00 0.00 C ATOM 181 O CYS A 12 -8.933 9.341 -15.331 1.00 0.00 O ATOM 182 CB CYS A 12 -11.420 10.047 -14.386 1.00 0.00 C ATOM 183 SG CYS A 12 -12.316 11.337 -13.488 1.00 0.00 S ATOM 0 H CYS A 12 -12.419 9.551 -16.757 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.689 11.660 -15.605 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.070 9.188 -14.554 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.575 9.696 -13.793 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.366 11.032 -12.225 1.00 0.00 H new ATOM 189 N GLY A 13 -9.458 9.798 -17.475 1.00 0.00 N ATOM 190 CA GLY A 13 -8.295 9.108 -18.032 1.00 0.00 C ATOM 191 C GLY A 13 -7.237 8.862 -16.964 1.00 0.00 C ATOM 192 O GLY A 13 -6.770 7.737 -16.783 1.00 0.00 O ATOM 0 H GLY A 13 -10.071 10.220 -18.173 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.606 8.157 -18.465 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.869 9.702 -18.840 1.00 0.00 H new ATOM 196 N GLY A 14 -6.871 9.921 -16.251 1.00 0.00 N ATOM 197 CA GLY A 14 -5.875 9.812 -15.194 1.00 0.00 C ATOM 198 C GLY A 14 -6.382 8.923 -14.061 1.00 0.00 C ATOM 199 O GLY A 14 -5.710 7.977 -13.652 1.00 0.00 O ATOM 0 H GLY A 14 -7.247 10.860 -16.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.951 9.400 -15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.639 10.803 -14.807 1.00 0.00 H new ATOM 203 N CYS A 15 -7.574 9.238 -13.561 1.00 0.00 N ATOM 204 CA CYS A 15 -8.169 8.466 -12.475 1.00 0.00 C ATOM 205 C CYS A 15 -8.939 7.262 -13.014 1.00 0.00 C ATOM 206 O CYS A 15 -8.822 6.156 -12.485 1.00 0.00 O ATOM 207 CB CYS A 15 -9.112 9.355 -11.660 1.00 0.00 C ATOM 208 SG CYS A 15 -9.034 11.051 -12.284 1.00 0.00 S ATOM 0 H CYS A 15 -8.144 10.018 -13.889 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.364 8.103 -11.837 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.133 8.978 -11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.832 9.331 -10.607 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.211 11.415 -12.699 1.00 0.00 H new ATOM 214 N ALA A 16 -9.732 7.479 -14.062 1.00 0.00 N ATOM 215 CA ALA A 16 -10.515 6.391 -14.645 1.00 0.00 C ATOM 216 C ALA A 16 -9.612 5.224 -15.033 1.00 0.00 C ATOM 217 O ALA A 16 -10.011 4.063 -14.936 1.00 0.00 O ATOM 218 CB ALA A 16 -11.267 6.882 -15.885 1.00 0.00 C ATOM 0 H ALA A 16 -9.849 8.383 -14.519 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.231 6.053 -13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.846 6.061 -16.308 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.939 7.693 -15.605 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.552 7.242 -16.625 1.00 0.00 H new ATOM 224 N GLU A 17 -8.396 5.535 -15.472 1.00 0.00 N ATOM 225 CA GLU A 17 -7.454 4.495 -15.871 1.00 0.00 C ATOM 226 C GLU A 17 -7.051 3.648 -14.668 1.00 0.00 C ATOM 227 O GLU A 17 -7.039 2.419 -14.742 1.00 0.00 O ATOM 228 CB GLU A 17 -6.210 5.126 -16.499 1.00 0.00 C ATOM 229 CG GLU A 17 -5.133 4.056 -16.685 1.00 0.00 C ATOM 230 CD GLU A 17 -4.514 4.176 -18.074 1.00 0.00 C ATOM 231 OE1 GLU A 17 -4.100 5.268 -18.424 1.00 0.00 O ATOM 232 OE2 GLU A 17 -4.463 3.172 -18.766 1.00 0.00 O ATOM 0 H GLU A 17 -8.043 6.488 -15.560 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.940 3.853 -16.605 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.462 5.574 -17.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.835 5.927 -15.862 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.362 4.168 -15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.567 3.065 -16.556 1.00 0.00 H new ATOM 239 N ALA A 18 -6.733 4.309 -13.558 1.00 0.00 N ATOM 240 CA ALA A 18 -6.345 3.595 -12.346 1.00 0.00 C ATOM 241 C ALA A 18 -7.510 2.741 -11.862 1.00 0.00 C ATOM 242 O ALA A 18 -7.319 1.658 -11.307 1.00 0.00 O ATOM 243 CB ALA A 18 -5.943 4.589 -11.255 1.00 0.00 C ATOM 0 H ALA A 18 -6.736 5.325 -13.473 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.493 2.953 -12.568 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.655 4.045 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.101 5.188 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.786 5.243 -11.030 1.00 0.00 H new ATOM 249 N VAL A 19 -8.717 3.242 -12.091 1.00 0.00 N ATOM 250 CA VAL A 19 -9.926 2.533 -11.698 1.00 0.00 C ATOM 251 C VAL A 19 -10.050 1.229 -12.479 1.00 0.00 C ATOM 252 O VAL A 19 -10.526 0.222 -11.955 1.00 0.00 O ATOM 253 CB VAL A 19 -11.152 3.414 -11.950 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.382 2.534 -12.186 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.396 4.307 -10.730 1.00 0.00 C ATOM 0 H VAL A 19 -8.884 4.139 -12.548 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.868 2.300 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.975 4.033 -12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.252 3.165 -12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.212 1.896 -13.053 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.559 1.913 -11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.269 4.935 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.570 3.684 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.523 4.938 -10.560 1.00 0.00 H new ATOM 265 N SER A 20 -9.628 1.260 -13.742 1.00 0.00 N ATOM 266 CA SER A 20 -9.708 0.077 -14.593 1.00 0.00 C ATOM 267 C SER A 20 -8.972 -1.093 -13.951 1.00 0.00 C ATOM 268 O SER A 20 -9.389 -2.243 -14.081 1.00 0.00 O ATOM 269 CB SER A 20 -9.098 0.378 -15.961 1.00 0.00 C ATOM 270 OG SER A 20 -7.682 0.427 -15.844 1.00 0.00 O ATOM 0 H SER A 20 -9.231 2.084 -14.194 1.00 0.00 H new ATOM 0 HA SER A 20 -10.757 -0.192 -14.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.389 -0.390 -16.678 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.476 1.328 -16.340 1.00 0.00 H new ATOM 0 HG SER A 20 -7.387 1.361 -15.837 1.00 0.00 H new ATOM 276 N ARG A 21 -7.889 -0.797 -13.243 1.00 0.00 N ATOM 277 CA ARG A 21 -7.131 -1.846 -12.573 1.00 0.00 C ATOM 278 C ARG A 21 -8.028 -2.548 -11.561 1.00 0.00 C ATOM 279 O ARG A 21 -7.981 -3.768 -11.404 1.00 0.00 O ATOM 280 CB ARG A 21 -5.916 -1.251 -11.856 1.00 0.00 C ATOM 281 CG ARG A 21 -4.974 -0.617 -12.881 1.00 0.00 C ATOM 282 CD ARG A 21 -3.687 -0.176 -12.182 1.00 0.00 C ATOM 283 NE ARG A 21 -3.111 -1.292 -11.441 1.00 0.00 N ATOM 284 CZ ARG A 21 -2.145 -1.101 -10.548 1.00 0.00 C ATOM 285 NH1 ARG A 21 -1.690 0.102 -10.328 1.00 0.00 N ATOM 286 NH2 ARG A 21 -1.650 -2.115 -9.892 1.00 0.00 N ATOM 0 H ARG A 21 -7.520 0.146 -13.119 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.782 -2.562 -13.317 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.239 -0.503 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.393 -2.028 -11.299 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.745 -1.331 -13.672 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.456 0.239 -13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.971 0.190 -12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.897 0.651 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.456 -2.237 -11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.076 0.895 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.949 0.250 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.004 -3.056 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.909 -1.967 -9.207 1.00 0.00 H new ATOM 300 N VAL A 22 -8.844 -1.753 -10.878 1.00 0.00 N ATOM 301 CA VAL A 22 -9.765 -2.271 -9.874 1.00 0.00 C ATOM 302 C VAL A 22 -10.713 -3.306 -10.478 1.00 0.00 C ATOM 303 O VAL A 22 -11.324 -4.091 -9.753 1.00 0.00 O ATOM 304 CB VAL A 22 -10.584 -1.125 -9.276 1.00 0.00 C ATOM 305 CG1 VAL A 22 -11.384 -1.639 -8.077 1.00 0.00 C ATOM 306 CG2 VAL A 22 -9.641 -0.007 -8.821 1.00 0.00 C ATOM 0 H VAL A 22 -8.886 -0.742 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.175 -2.752 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.270 -0.737 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.967 -0.822 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.056 -2.434 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.700 -2.028 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.224 0.810 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.954 -0.394 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.073 0.360 -9.676 1.00 0.00 H new ATOM 316 N LEU A 23 -10.851 -3.293 -11.802 1.00 0.00 N ATOM 317 CA LEU A 23 -11.755 -4.229 -12.467 1.00 0.00 C ATOM 318 C LEU A 23 -11.365 -5.667 -12.153 1.00 0.00 C ATOM 319 O LEU A 23 -12.224 -6.536 -12.025 1.00 0.00 O ATOM 320 CB LEU A 23 -11.722 -4.020 -13.983 1.00 0.00 C ATOM 321 CG LEU A 23 -13.108 -4.302 -14.566 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.037 -4.258 -16.093 1.00 0.00 C ATOM 323 CD2 LEU A 23 -13.582 -5.687 -14.116 1.00 0.00 C ATOM 0 H LEU A 23 -10.357 -2.656 -12.427 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.763 -4.041 -12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.419 -2.999 -14.214 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.983 -4.681 -14.436 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.810 -3.547 -14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.024 -4.459 -16.509 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.702 -3.271 -16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.334 -5.012 -16.446 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.570 -5.887 -14.532 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.880 -6.444 -14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.634 -5.718 -13.028 1.00 0.00 H new ATOM 335 N ASN A 24 -10.069 -5.914 -12.019 1.00 0.00 N ATOM 336 CA ASN A 24 -9.598 -7.256 -11.707 1.00 0.00 C ATOM 337 C ASN A 24 -10.272 -7.760 -10.435 1.00 0.00 C ATOM 338 O ASN A 24 -10.545 -8.952 -10.292 1.00 0.00 O ATOM 339 CB ASN A 24 -8.080 -7.247 -11.520 1.00 0.00 C ATOM 340 CG ASN A 24 -7.450 -8.367 -12.340 1.00 0.00 C ATOM 341 OD1 ASN A 24 -7.784 -9.538 -12.155 1.00 0.00 O ATOM 342 ND2 ASN A 24 -6.554 -8.077 -13.242 1.00 0.00 N ATOM 0 H ASN A 24 -9.334 -5.214 -12.120 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.851 -7.921 -12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.672 -6.285 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.834 -7.374 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.129 -8.820 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.279 -7.107 -13.394 1.00 0.00 H new ATOM 349 N LYS A 25 -10.536 -6.839 -9.515 1.00 0.00 N ATOM 350 CA LYS A 25 -11.178 -7.187 -8.252 1.00 0.00 C ATOM 351 C LYS A 25 -12.629 -7.614 -8.470 1.00 0.00 C ATOM 352 O LYS A 25 -13.085 -8.604 -7.897 1.00 0.00 O ATOM 353 CB LYS A 25 -11.135 -5.986 -7.307 1.00 0.00 C ATOM 354 CG LYS A 25 -11.546 -6.425 -5.901 1.00 0.00 C ATOM 355 CD LYS A 25 -10.299 -6.799 -5.097 1.00 0.00 C ATOM 356 CE LYS A 25 -10.714 -7.306 -3.715 1.00 0.00 C ATOM 357 NZ LYS A 25 -9.810 -6.726 -2.680 1.00 0.00 N ATOM 0 H LYS A 25 -10.316 -5.848 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.636 -8.025 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.131 -5.561 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.805 -5.204 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.086 -5.621 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.224 -7.277 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.732 -7.567 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.645 -5.933 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.747 -7.026 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.666 -8.395 -3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.092 -7.071 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.830 -7.014 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.877 -5.688 -2.703 1.00 0.00 H new ATOM 371 N LEU A 26 -13.353 -6.857 -9.291 1.00 0.00 N ATOM 372 CA LEU A 26 -14.754 -7.161 -9.565 1.00 0.00 C ATOM 373 C LEU A 26 -14.885 -8.271 -10.604 1.00 0.00 C ATOM 374 O LEU A 26 -15.747 -9.142 -10.490 1.00 0.00 O ATOM 375 CB LEU A 26 -15.460 -5.907 -10.079 1.00 0.00 C ATOM 376 CG LEU A 26 -16.792 -5.726 -9.351 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.603 -7.020 -9.431 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.530 -5.377 -7.883 1.00 0.00 C ATOM 0 H LEU A 26 -12.995 -6.034 -9.775 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.215 -7.498 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.828 -5.033 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.630 -5.989 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.353 -4.919 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.552 -6.887 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.793 -7.266 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.043 -7.830 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.480 -5.248 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.966 -6.183 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.957 -4.452 -7.826 1.00 0.00 H new ATOM 390 N GLY A 27 -14.033 -8.228 -11.621 1.00 0.00 N ATOM 391 CA GLY A 27 -14.075 -9.229 -12.679 1.00 0.00 C ATOM 392 C GLY A 27 -13.101 -10.369 -12.405 1.00 0.00 C ATOM 393 O GLY A 27 -13.465 -11.541 -12.502 1.00 0.00 O ATOM 0 H GLY A 27 -13.311 -7.517 -11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.086 -9.626 -12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.832 -8.762 -13.634 1.00 0.00 H new ATOM 397 N GLY A 28 -11.860 -10.025 -12.076 1.00 0.00 N ATOM 398 CA GLY A 28 -10.853 -11.043 -11.809 1.00 0.00 C ATOM 399 C GLY A 28 -10.744 -11.990 -12.997 1.00 0.00 C ATOM 400 O GLY A 28 -10.339 -13.144 -12.855 1.00 0.00 O ATOM 0 H GLY A 28 -11.532 -9.063 -11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.889 -10.572 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.117 -11.601 -10.911 1.00 0.00 H new ATOM 404 N VAL A 29 -11.120 -11.484 -14.167 1.00 0.00 N ATOM 405 CA VAL A 29 -11.078 -12.275 -15.390 1.00 0.00 C ATOM 406 C VAL A 29 -10.192 -11.607 -16.433 1.00 0.00 C ATOM 407 O VAL A 29 -9.604 -10.555 -16.184 1.00 0.00 O ATOM 408 CB VAL A 29 -12.494 -12.433 -15.947 1.00 0.00 C ATOM 409 CG1 VAL A 29 -13.343 -13.241 -14.960 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.117 -11.049 -16.144 1.00 0.00 C ATOM 0 H VAL A 29 -11.457 -10.530 -14.293 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.662 -13.255 -15.156 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.455 -12.955 -16.903 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.352 -13.354 -15.356 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.897 -14.225 -14.817 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.385 -12.719 -14.004 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.126 -11.157 -16.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.157 -10.529 -15.187 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.512 -10.474 -16.845 1.00 0.00 H new ATOM 420 N LYS A 30 -10.103 -12.231 -17.598 1.00 0.00 N ATOM 421 CA LYS A 30 -9.288 -11.701 -18.681 1.00 0.00 C ATOM 422 C LYS A 30 -9.936 -10.456 -19.274 1.00 0.00 C ATOM 423 O LYS A 30 -11.151 -10.408 -19.465 1.00 0.00 O ATOM 424 CB LYS A 30 -9.114 -12.761 -19.769 1.00 0.00 C ATOM 425 CG LYS A 30 -7.882 -13.614 -19.457 1.00 0.00 C ATOM 426 CD LYS A 30 -7.932 -14.905 -20.277 1.00 0.00 C ATOM 427 CE LYS A 30 -6.672 -15.728 -20.006 1.00 0.00 C ATOM 428 NZ LYS A 30 -5.777 -15.664 -21.194 1.00 0.00 N ATOM 0 H LYS A 30 -10.584 -13.103 -17.818 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.311 -11.431 -18.281 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.002 -13.391 -19.823 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.002 -12.284 -20.742 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.974 -13.058 -19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.849 -13.848 -18.393 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.819 -15.481 -20.015 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.006 -14.672 -21.339 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.155 -15.344 -19.126 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.939 -16.763 -19.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.919 -16.223 -21.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.273 -16.049 -22.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.513 -14.675 -21.377 1.00 0.00 H new ATOM 442 N TYR A 31 -9.118 -9.452 -19.556 1.00 0.00 N ATOM 443 CA TYR A 31 -9.625 -8.206 -20.123 1.00 0.00 C ATOM 444 C TYR A 31 -8.646 -7.619 -21.134 1.00 0.00 C ATOM 445 O TYR A 31 -7.467 -7.970 -21.154 1.00 0.00 O ATOM 446 CB TYR A 31 -9.874 -7.190 -19.007 1.00 0.00 C ATOM 447 CG TYR A 31 -8.584 -6.921 -18.272 1.00 0.00 C ATOM 448 CD1 TYR A 31 -8.196 -7.749 -17.211 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.775 -5.841 -18.648 1.00 0.00 C ATOM 450 CE1 TYR A 31 -7.001 -7.499 -16.528 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.579 -5.591 -17.964 1.00 0.00 C ATOM 452 CZ TYR A 31 -6.192 -6.420 -16.904 1.00 0.00 C ATOM 453 OH TYR A 31 -5.014 -6.171 -16.230 1.00 0.00 O ATOM 0 H TYR A 31 -8.110 -9.472 -19.404 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.560 -8.427 -20.638 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.266 -6.263 -19.426 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.626 -7.571 -18.316 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.820 -8.581 -16.920 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.074 -5.201 -19.465 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.702 -8.138 -15.710 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.955 -4.759 -18.254 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.574 -5.386 -16.619 1.00 0.00 H new ATOM 463 N ASP A 32 -9.150 -6.713 -21.969 1.00 0.00 N ATOM 464 CA ASP A 32 -8.325 -6.065 -22.980 1.00 0.00 C ATOM 465 C ASP A 32 -8.701 -4.591 -23.099 1.00 0.00 C ATOM 466 O ASP A 32 -9.880 -4.241 -23.095 1.00 0.00 O ATOM 467 CB ASP A 32 -8.508 -6.753 -24.334 1.00 0.00 C ATOM 468 CG ASP A 32 -7.386 -7.760 -24.563 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.236 -7.372 -24.444 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.694 -8.904 -24.855 1.00 0.00 O ATOM 0 H ASP A 32 -10.125 -6.413 -21.964 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.281 -6.145 -22.678 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.473 -7.258 -24.367 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.509 -6.010 -25.132 1.00 0.00 H new ATOM 475 N ILE A 33 -7.692 -3.731 -23.195 1.00 0.00 N ATOM 476 CA ILE A 33 -7.935 -2.298 -23.304 1.00 0.00 C ATOM 477 C ILE A 33 -7.384 -1.747 -24.616 1.00 0.00 C ATOM 478 O ILE A 33 -6.214 -1.944 -24.941 1.00 0.00 O ATOM 479 CB ILE A 33 -7.286 -1.558 -22.126 1.00 0.00 C ATOM 480 CG1 ILE A 33 -6.203 -2.435 -21.482 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.353 -1.227 -21.081 1.00 0.00 C ATOM 482 CD1 ILE A 33 -4.994 -2.533 -22.417 1.00 0.00 C ATOM 0 H ILE A 33 -6.708 -3.998 -23.200 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.013 -2.139 -23.284 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.830 -0.639 -22.494 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.901 -2.012 -20.524 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.600 -3.430 -21.280 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.892 -0.702 -20.244 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.118 -0.594 -21.530 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.810 -2.149 -20.723 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.227 -3.156 -21.956 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.301 -2.976 -23.364 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.591 -1.536 -22.597 1.00 0.00 H new ATOM 494 N ASP A 34 -8.235 -1.048 -25.362 1.00 0.00 N ATOM 495 CA ASP A 34 -7.821 -0.464 -26.633 1.00 0.00 C ATOM 496 C ASP A 34 -7.866 1.059 -26.554 1.00 0.00 C ATOM 497 O ASP A 34 -8.930 1.668 -26.672 1.00 0.00 O ATOM 498 CB ASP A 34 -8.745 -0.942 -27.755 1.00 0.00 C ATOM 499 CG ASP A 34 -8.380 -2.365 -28.164 1.00 0.00 C ATOM 500 OD1 ASP A 34 -7.789 -3.061 -27.355 1.00 0.00 O ATOM 501 OD2 ASP A 34 -8.697 -2.738 -29.281 1.00 0.00 O ATOM 0 H ASP A 34 -9.208 -0.873 -25.111 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.800 -0.782 -26.844 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.782 -0.906 -27.423 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.662 -0.276 -28.614 1.00 0.00 H new ATOM 506 N LEU A 35 -6.703 1.667 -26.348 1.00 0.00 N ATOM 507 CA LEU A 35 -6.614 3.120 -26.247 1.00 0.00 C ATOM 508 C LEU A 35 -7.071 3.793 -27.539 1.00 0.00 C ATOM 509 O LEU A 35 -7.822 4.769 -27.512 1.00 0.00 O ATOM 510 CB LEU A 35 -5.173 3.531 -25.942 1.00 0.00 C ATOM 511 CG LEU A 35 -5.155 4.498 -24.756 1.00 0.00 C ATOM 512 CD1 LEU A 35 -3.707 4.817 -24.380 1.00 0.00 C ATOM 513 CD2 LEU A 35 -5.877 5.790 -25.143 1.00 0.00 C ATOM 0 H LEU A 35 -5.813 1.180 -26.248 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.271 3.443 -25.439 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.573 2.650 -25.715 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.726 4.004 -26.817 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.659 4.040 -23.905 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.694 5.506 -23.535 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.191 3.897 -24.106 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.203 5.276 -25.230 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.865 6.480 -24.299 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.372 6.248 -25.994 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.909 5.564 -25.412 1.00 0.00 H new ATOM 525 N PRO A 36 -6.616 3.302 -28.659 1.00 0.00 N ATOM 526 CA PRO A 36 -6.962 3.871 -29.998 1.00 0.00 C ATOM 527 C PRO A 36 -8.463 3.861 -30.271 1.00 0.00 C ATOM 528 O PRO A 36 -8.976 4.721 -30.988 1.00 0.00 O ATOM 529 CB PRO A 36 -6.222 2.969 -30.994 1.00 0.00 C ATOM 530 CG PRO A 36 -5.185 2.246 -30.198 1.00 0.00 C ATOM 531 CD PRO A 36 -5.719 2.145 -28.773 1.00 0.00 C ATOM 0 HA PRO A 36 -6.672 4.919 -30.070 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.908 2.268 -31.471 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.764 3.558 -31.789 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.999 1.255 -30.613 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.237 2.783 -30.219 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.251 1.208 -28.609 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.914 2.187 -28.039 1.00 0.00 H new ATOM 539 N ASN A 37 -9.162 2.886 -29.705 1.00 0.00 N ATOM 540 CA ASN A 37 -10.604 2.784 -29.907 1.00 0.00 C ATOM 541 C ASN A 37 -11.360 3.260 -28.670 1.00 0.00 C ATOM 542 O ASN A 37 -12.585 3.376 -28.689 1.00 0.00 O ATOM 543 CB ASN A 37 -10.988 1.335 -30.214 1.00 0.00 C ATOM 544 CG ASN A 37 -11.165 1.148 -31.718 1.00 0.00 C ATOM 545 OD1 ASN A 37 -12.262 0.835 -32.181 1.00 0.00 O ATOM 546 ND2 ASN A 37 -10.145 1.324 -32.513 1.00 0.00 N ATOM 0 H ASN A 37 -8.761 2.162 -29.109 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.876 3.420 -30.749 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.217 0.660 -29.844 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.912 1.078 -29.696 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.256 1.202 -33.520 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.237 1.583 -32.128 1.00 0.00 H new ATOM 553 N LYS A 38 -10.625 3.533 -27.597 1.00 0.00 N ATOM 554 CA LYS A 38 -11.244 3.992 -26.359 1.00 0.00 C ATOM 555 C LYS A 38 -12.354 3.036 -25.936 1.00 0.00 C ATOM 556 O LYS A 38 -13.404 3.462 -25.453 1.00 0.00 O ATOM 557 CB LYS A 38 -11.824 5.395 -26.551 1.00 0.00 C ATOM 558 CG LYS A 38 -10.895 6.214 -27.449 1.00 0.00 C ATOM 559 CD LYS A 38 -11.497 7.602 -27.675 1.00 0.00 C ATOM 560 CE LYS A 38 -10.794 8.281 -28.852 1.00 0.00 C ATOM 561 NZ LYS A 38 -11.449 7.871 -30.127 1.00 0.00 N ATOM 0 H LYS A 38 -9.609 3.446 -27.559 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.482 4.020 -25.580 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.816 5.332 -26.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.940 5.887 -25.585 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.911 6.303 -26.988 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.755 5.707 -28.404 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.565 7.518 -27.876 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.388 8.207 -26.775 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.839 9.364 -28.740 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.740 8.005 -28.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.971 8.333 -30.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.384 6.839 -30.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.449 8.155 -30.111 1.00 0.00 H new ATOM 575 N LYS A 39 -12.115 1.743 -26.122 1.00 0.00 N ATOM 576 CA LYS A 39 -13.103 0.734 -25.759 1.00 0.00 C ATOM 577 C LYS A 39 -12.497 -0.291 -24.808 1.00 0.00 C ATOM 578 O LYS A 39 -11.276 -0.419 -24.713 1.00 0.00 O ATOM 579 CB LYS A 39 -13.615 0.027 -27.017 1.00 0.00 C ATOM 580 CG LYS A 39 -14.577 0.948 -27.767 1.00 0.00 C ATOM 581 CD LYS A 39 -15.252 0.169 -28.897 1.00 0.00 C ATOM 582 CE LYS A 39 -16.587 0.829 -29.246 1.00 0.00 C ATOM 583 NZ LYS A 39 -17.394 1.000 -28.006 1.00 0.00 N ATOM 0 H LYS A 39 -11.252 1.370 -26.519 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.934 1.230 -25.258 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.778 -0.243 -27.661 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.120 -0.900 -26.745 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.329 1.341 -27.083 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.037 1.803 -28.173 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.605 0.146 -29.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.414 -0.865 -28.594 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.415 1.797 -29.717 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.131 0.217 -29.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.378 0.720 -28.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.000 0.403 -27.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.368 1.996 -27.709 1.00 0.00 H new ATOM 597 N VAL A 40 -13.358 -1.023 -24.109 1.00 0.00 N ATOM 598 CA VAL A 40 -12.894 -2.038 -23.170 1.00 0.00 C ATOM 599 C VAL A 40 -13.673 -3.337 -23.356 1.00 0.00 C ATOM 600 O VAL A 40 -14.896 -3.362 -23.215 1.00 0.00 O ATOM 601 CB VAL A 40 -13.064 -1.541 -21.734 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.052 -2.242 -20.827 1.00 0.00 C ATOM 603 CG2 VAL A 40 -12.827 -0.027 -21.684 1.00 0.00 C ATOM 0 H VAL A 40 -14.372 -0.934 -24.174 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.839 -2.229 -23.365 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.075 -1.763 -21.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.174 -1.887 -19.804 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.218 -3.319 -20.860 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.041 -2.020 -21.170 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.948 0.327 -20.660 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.816 0.195 -22.027 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.548 0.476 -22.329 1.00 0.00 H new ATOM 613 N CYS A 41 -12.957 -4.412 -23.662 1.00 0.00 N ATOM 614 CA CYS A 41 -13.590 -5.712 -23.856 1.00 0.00 C ATOM 615 C CYS A 41 -13.136 -6.681 -22.771 1.00 0.00 C ATOM 616 O CYS A 41 -11.959 -7.029 -22.690 1.00 0.00 O ATOM 617 CB CYS A 41 -13.229 -6.275 -25.233 1.00 0.00 C ATOM 618 SG CYS A 41 -11.746 -5.444 -25.856 1.00 0.00 S ATOM 0 H CYS A 41 -11.944 -4.411 -23.781 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.671 -5.586 -23.795 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.055 -7.349 -25.164 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.058 -6.130 -25.926 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.438 -5.924 -27.024 1.00 0.00 H new ATOM 624 N ILE A 42 -14.074 -7.104 -21.928 1.00 0.00 N ATOM 625 CA ILE A 42 -13.745 -8.021 -20.845 1.00 0.00 C ATOM 626 C ILE A 42 -14.605 -9.278 -20.897 1.00 0.00 C ATOM 627 O ILE A 42 -15.815 -9.209 -21.109 1.00 0.00 O ATOM 628 CB ILE A 42 -13.941 -7.325 -19.496 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.253 -8.369 -18.415 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.103 -6.337 -19.598 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.216 -7.710 -17.035 1.00 0.00 C ATOM 0 H ILE A 42 -15.055 -6.830 -21.973 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.702 -8.316 -20.963 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.029 -6.791 -19.230 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.235 -8.808 -18.593 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.528 -9.181 -18.460 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.244 -5.841 -18.638 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.881 -5.592 -20.363 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.014 -6.873 -19.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.438 -8.454 -16.270 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.225 -7.292 -16.858 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -14.959 -6.913 -16.992 1.00 0.00 H new ATOM 643 N GLU A 43 -13.969 -10.422 -20.674 1.00 0.00 N ATOM 644 CA GLU A 43 -14.678 -11.691 -20.666 1.00 0.00 C ATOM 645 C GLU A 43 -14.762 -12.200 -19.234 1.00 0.00 C ATOM 646 O GLU A 43 -13.738 -12.473 -18.609 1.00 0.00 O ATOM 647 CB GLU A 43 -13.939 -12.710 -21.533 1.00 0.00 C ATOM 648 CG GLU A 43 -14.516 -14.107 -21.291 1.00 0.00 C ATOM 649 CD GLU A 43 -13.509 -14.960 -20.526 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.673 -14.388 -19.846 1.00 0.00 O ATOM 651 OE2 GLU A 43 -13.588 -16.172 -20.633 1.00 0.00 O ATOM 0 H GLU A 43 -12.967 -10.495 -20.497 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.681 -11.551 -21.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.035 -12.444 -22.586 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.875 -12.699 -21.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.446 -14.033 -20.727 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.757 -14.580 -22.243 1.00 0.00 H new ATOM 658 N SER A 44 -15.976 -12.305 -18.708 1.00 0.00 N ATOM 659 CA SER A 44 -16.154 -12.759 -17.335 1.00 0.00 C ATOM 660 C SER A 44 -17.211 -13.852 -17.241 1.00 0.00 C ATOM 661 O SER A 44 -17.992 -14.066 -18.168 1.00 0.00 O ATOM 662 CB SER A 44 -16.562 -11.580 -16.452 1.00 0.00 C ATOM 663 OG SER A 44 -16.390 -10.370 -17.176 1.00 0.00 O ATOM 0 H SER A 44 -16.840 -12.085 -19.203 1.00 0.00 H new ATOM 0 HA SER A 44 -15.205 -13.172 -16.992 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.601 -11.686 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.958 -11.564 -15.545 1.00 0.00 H new ATOM 0 HG SER A 44 -17.045 -9.709 -16.869 1.00 0.00 H new ATOM 669 N GLU A 45 -17.220 -14.536 -16.104 1.00 0.00 N ATOM 670 CA GLU A 45 -18.173 -15.609 -15.868 1.00 0.00 C ATOM 671 C GLU A 45 -19.584 -15.051 -15.710 1.00 0.00 C ATOM 672 O GLU A 45 -20.568 -15.773 -15.872 1.00 0.00 O ATOM 673 CB GLU A 45 -17.781 -16.370 -14.600 1.00 0.00 C ATOM 674 CG GLU A 45 -16.256 -16.370 -14.445 1.00 0.00 C ATOM 675 CD GLU A 45 -15.840 -17.411 -13.411 1.00 0.00 C ATOM 676 OE1 GLU A 45 -15.966 -17.127 -12.231 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.401 -18.475 -13.813 1.00 0.00 O ATOM 0 H GLU A 45 -16.577 -14.365 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.158 -16.283 -16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.244 -15.907 -13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.151 -17.394 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.784 -16.588 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.913 -15.382 -14.138 1.00 0.00 H new ATOM 684 N HIS A 46 -19.677 -13.764 -15.387 1.00 0.00 N ATOM 685 CA HIS A 46 -20.976 -13.126 -15.205 1.00 0.00 C ATOM 686 C HIS A 46 -21.326 -12.254 -16.404 1.00 0.00 C ATOM 687 O HIS A 46 -22.339 -12.470 -17.068 1.00 0.00 O ATOM 688 CB HIS A 46 -20.966 -12.270 -13.936 1.00 0.00 C ATOM 689 CG HIS A 46 -21.251 -13.139 -12.743 1.00 0.00 C ATOM 690 ND1 HIS A 46 -21.564 -12.609 -11.501 1.00 0.00 N ATOM 691 CD2 HIS A 46 -21.274 -14.503 -12.585 1.00 0.00 C ATOM 692 CE1 HIS A 46 -21.762 -13.640 -10.659 1.00 0.00 C ATOM 693 NE2 HIS A 46 -21.596 -14.817 -11.268 1.00 0.00 N ATOM 0 H HIS A 46 -18.876 -13.148 -15.247 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.729 -13.909 -15.112 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.998 -11.782 -13.821 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.714 -11.480 -14.011 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -21.073 -15.223 -13.365 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -22.023 -13.529 -9.617 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -21.686 -15.746 -10.856 1.00 0.00 H new ATOM 701 N SER A 47 -20.483 -11.265 -16.671 1.00 0.00 N ATOM 702 CA SER A 47 -20.714 -10.359 -17.790 1.00 0.00 C ATOM 703 C SER A 47 -21.903 -9.449 -17.499 1.00 0.00 C ATOM 704 O SER A 47 -23.029 -9.918 -17.348 1.00 0.00 O ATOM 705 CB SER A 47 -20.980 -11.160 -19.066 1.00 0.00 C ATOM 706 OG SER A 47 -19.917 -10.945 -19.984 1.00 0.00 O ATOM 0 H SER A 47 -19.639 -11.070 -16.133 1.00 0.00 H new ATOM 0 HA SER A 47 -19.824 -9.745 -17.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.065 -12.221 -18.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.927 -10.855 -19.510 1.00 0.00 H new ATOM 0 HG SER A 47 -20.283 -10.818 -20.884 1.00 0.00 H new ATOM 712 N MET A 48 -21.642 -8.147 -17.419 1.00 0.00 N ATOM 713 CA MET A 48 -22.697 -7.178 -17.143 1.00 0.00 C ATOM 714 C MET A 48 -22.929 -7.052 -15.642 1.00 0.00 C ATOM 715 O MET A 48 -23.995 -7.407 -15.136 1.00 0.00 O ATOM 716 CB MET A 48 -24.001 -7.603 -17.826 1.00 0.00 C ATOM 717 CG MET A 48 -24.896 -6.379 -18.035 1.00 0.00 C ATOM 718 SD MET A 48 -26.541 -6.714 -17.355 1.00 0.00 S ATOM 719 CE MET A 48 -27.393 -5.318 -18.127 1.00 0.00 C ATOM 0 H MET A 48 -20.714 -7.741 -17.541 1.00 0.00 H new ATOM 0 HA MET A 48 -22.382 -6.212 -17.537 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.784 -8.075 -18.784 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.518 -8.344 -17.216 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.459 -5.508 -17.547 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.970 -6.146 -19.097 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.444 -5.328 -17.838 1.00 0.00 H new ATOM 0 HE2 MET A 48 -26.935 -4.385 -17.797 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.314 -5.398 -19.211 1.00 0.00 H new ATOM 729 N ASP A 49 -21.927 -6.545 -14.933 1.00 0.00 N ATOM 730 CA ASP A 49 -22.036 -6.376 -13.490 1.00 0.00 C ATOM 731 C ASP A 49 -20.690 -5.975 -12.891 1.00 0.00 C ATOM 732 O ASP A 49 -20.626 -5.136 -11.992 1.00 0.00 O ATOM 733 CB ASP A 49 -22.513 -7.681 -12.849 1.00 0.00 C ATOM 734 CG ASP A 49 -22.070 -7.741 -11.392 1.00 0.00 C ATOM 735 OD1 ASP A 49 -22.570 -6.952 -10.607 1.00 0.00 O ATOM 736 OD2 ASP A 49 -21.239 -8.578 -11.080 1.00 0.00 O ATOM 0 H ASP A 49 -21.037 -6.246 -15.331 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.758 -5.585 -13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -23.599 -7.750 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.109 -8.533 -13.396 1.00 0.00 H new ATOM 741 N THR A 50 -19.622 -6.585 -13.390 1.00 0.00 N ATOM 742 CA THR A 50 -18.282 -6.290 -12.892 1.00 0.00 C ATOM 743 C THR A 50 -17.747 -4.983 -13.478 1.00 0.00 C ATOM 744 O THR A 50 -17.041 -4.234 -12.804 1.00 0.00 O ATOM 745 CB THR A 50 -17.329 -7.438 -13.250 1.00 0.00 C ATOM 746 OG1 THR A 50 -16.005 -6.934 -13.355 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.738 -8.063 -14.585 1.00 0.00 C ATOM 0 H THR A 50 -19.655 -7.282 -14.134 1.00 0.00 H new ATOM 0 HA THR A 50 -18.342 -6.182 -11.809 1.00 0.00 H new ATOM 0 HB THR A 50 -17.377 -8.198 -12.470 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.526 -7.417 -14.061 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.055 -8.877 -14.830 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.753 -8.452 -14.509 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.697 -7.307 -15.369 1.00 0.00 H new ATOM 755 N LEU A 51 -18.072 -4.728 -14.741 1.00 0.00 N ATOM 756 CA LEU A 51 -17.604 -3.522 -15.422 1.00 0.00 C ATOM 757 C LEU A 51 -18.173 -2.245 -14.805 1.00 0.00 C ATOM 758 O LEU A 51 -17.431 -1.314 -14.494 1.00 0.00 O ATOM 759 CB LEU A 51 -18.009 -3.575 -16.895 1.00 0.00 C ATOM 760 CG LEU A 51 -17.069 -4.512 -17.655 1.00 0.00 C ATOM 761 CD1 LEU A 51 -17.434 -5.968 -17.353 1.00 0.00 C ATOM 762 CD2 LEU A 51 -17.198 -4.256 -19.160 1.00 0.00 C ATOM 0 H LEU A 51 -18.656 -5.337 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.520 -3.495 -15.315 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.038 -3.923 -16.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.971 -2.576 -17.329 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.043 -4.325 -17.339 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -16.762 -6.632 -17.897 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -17.339 -6.152 -16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -18.461 -6.158 -17.664 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.528 -4.924 -19.701 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.225 -4.440 -19.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -16.932 -3.221 -19.377 1.00 0.00 H new ATOM 774 N LEU A 52 -19.491 -2.190 -14.674 1.00 0.00 N ATOM 775 CA LEU A 52 -20.152 -1.001 -14.145 1.00 0.00 C ATOM 776 C LEU A 52 -19.598 -0.586 -12.784 1.00 0.00 C ATOM 777 O LEU A 52 -19.237 0.573 -12.589 1.00 0.00 O ATOM 778 CB LEU A 52 -21.655 -1.248 -14.021 1.00 0.00 C ATOM 779 CG LEU A 52 -21.915 -2.729 -13.729 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.221 -2.866 -12.943 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.032 -3.509 -15.044 1.00 0.00 C ATOM 0 H LEU A 52 -20.123 -2.950 -14.925 1.00 0.00 H new ATOM 0 HA LEU A 52 -19.959 -0.190 -14.847 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.069 -0.632 -13.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.158 -0.956 -14.943 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.086 -3.131 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.410 -3.919 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -23.140 -2.317 -12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.044 -2.460 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.217 -4.561 -14.828 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -22.858 -3.109 -15.632 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.104 -3.412 -15.608 1.00 0.00 H new ATOM 793 N ALA A 53 -19.543 -1.515 -11.841 1.00 0.00 N ATOM 794 CA ALA A 53 -19.045 -1.181 -10.511 1.00 0.00 C ATOM 795 C ALA A 53 -17.641 -0.587 -10.592 1.00 0.00 C ATOM 796 O ALA A 53 -17.357 0.442 -9.980 1.00 0.00 O ATOM 797 CB ALA A 53 -19.016 -2.432 -9.634 1.00 0.00 C ATOM 0 H ALA A 53 -19.830 -2.486 -11.965 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.715 -0.442 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.643 -2.173 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.023 -2.839 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.361 -3.177 -10.085 1.00 0.00 H new ATOM 803 N THR A 54 -16.767 -1.244 -11.345 1.00 0.00 N ATOM 804 CA THR A 54 -15.394 -0.773 -11.491 1.00 0.00 C ATOM 805 C THR A 54 -15.313 0.508 -12.321 1.00 0.00 C ATOM 806 O THR A 54 -14.662 1.472 -11.926 1.00 0.00 O ATOM 807 CB THR A 54 -14.537 -1.849 -12.149 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.938 -3.130 -11.681 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.073 -1.609 -11.794 1.00 0.00 C ATOM 0 H THR A 54 -16.981 -2.098 -11.860 1.00 0.00 H new ATOM 0 HA THR A 54 -15.021 -0.555 -10.490 1.00 0.00 H new ATOM 0 HB THR A 54 -14.663 -1.807 -13.231 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.514 -3.557 -12.349 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.455 -2.375 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.768 -0.627 -12.154 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.949 -1.653 -10.712 1.00 0.00 H new ATOM 817 N LEU A 55 -15.943 0.499 -13.491 1.00 0.00 N ATOM 818 CA LEU A 55 -15.895 1.657 -14.378 1.00 0.00 C ATOM 819 C LEU A 55 -16.556 2.884 -13.750 1.00 0.00 C ATOM 820 O LEU A 55 -16.010 3.986 -13.810 1.00 0.00 O ATOM 821 CB LEU A 55 -16.581 1.328 -15.706 1.00 0.00 C ATOM 822 CG LEU A 55 -15.558 0.733 -16.678 1.00 0.00 C ATOM 823 CD1 LEU A 55 -14.774 -0.381 -15.980 1.00 0.00 C ATOM 824 CD2 LEU A 55 -16.284 0.154 -17.894 1.00 0.00 C ATOM 0 H LEU A 55 -16.487 -0.288 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.845 1.893 -14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.395 0.622 -15.541 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.022 2.229 -16.132 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.871 1.515 -17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.047 -0.803 -16.673 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.255 0.028 -15.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.462 -1.162 -15.656 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.555 -0.269 -18.585 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.972 -0.627 -17.569 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.843 0.945 -18.395 1.00 0.00 H new ATOM 836 N LYS A 56 -17.730 2.698 -13.156 1.00 0.00 N ATOM 837 CA LYS A 56 -18.439 3.818 -12.540 1.00 0.00 C ATOM 838 C LYS A 56 -17.671 4.351 -11.333 1.00 0.00 C ATOM 839 O LYS A 56 -17.884 5.485 -10.905 1.00 0.00 O ATOM 840 CB LYS A 56 -19.843 3.389 -12.106 1.00 0.00 C ATOM 841 CG LYS A 56 -20.813 4.554 -12.309 1.00 0.00 C ATOM 842 CD LYS A 56 -21.047 4.765 -13.805 1.00 0.00 C ATOM 843 CE LYS A 56 -22.466 5.291 -14.034 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.631 6.596 -13.337 1.00 0.00 N ATOM 0 H LYS A 56 -18.206 1.799 -13.087 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.520 4.612 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.167 2.525 -12.686 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.836 3.085 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -21.758 4.346 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.408 5.461 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -20.318 5.472 -14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.905 3.827 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.653 5.411 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -23.196 4.573 -13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.494 7.065 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.706 6.435 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -21.808 7.201 -13.533 1.00 0.00 H new ATOM 858 N LYS A 57 -16.778 3.531 -10.787 1.00 0.00 N ATOM 859 CA LYS A 57 -15.992 3.946 -9.631 1.00 0.00 C ATOM 860 C LYS A 57 -15.560 5.402 -9.785 1.00 0.00 C ATOM 861 O LYS A 57 -15.619 6.181 -8.833 1.00 0.00 O ATOM 862 CB LYS A 57 -14.759 3.051 -9.481 1.00 0.00 C ATOM 863 CG LYS A 57 -14.357 2.962 -8.006 1.00 0.00 C ATOM 864 CD LYS A 57 -13.683 4.266 -7.577 1.00 0.00 C ATOM 865 CE LYS A 57 -12.784 4.001 -6.368 1.00 0.00 C ATOM 866 NZ LYS A 57 -11.485 3.434 -6.830 1.00 0.00 N ATOM 0 H LYS A 57 -16.582 2.587 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.609 3.851 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.972 2.055 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.933 3.453 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.237 2.776 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.678 2.123 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.094 4.671 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.437 5.012 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.614 4.926 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.272 3.308 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.074 2.848 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.642 2.850 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.831 4.209 -7.061 1.00 0.00 H new ATOM 880 N THR A 58 -15.133 5.766 -10.992 1.00 0.00 N ATOM 881 CA THR A 58 -14.703 7.134 -11.260 1.00 0.00 C ATOM 882 C THR A 58 -15.902 8.013 -11.608 1.00 0.00 C ATOM 883 O THR A 58 -15.947 9.189 -11.246 1.00 0.00 O ATOM 884 CB THR A 58 -13.705 7.148 -12.423 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.414 5.813 -12.810 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.416 7.845 -11.986 1.00 0.00 C ATOM 0 H THR A 58 -15.076 5.138 -11.793 1.00 0.00 H new ATOM 0 HA THR A 58 -14.224 7.528 -10.364 1.00 0.00 H new ATOM 0 HB THR A 58 -14.138 7.687 -13.266 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.519 5.724 -13.780 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.708 7.854 -12.815 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.639 8.870 -11.689 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.981 7.309 -11.142 1.00 0.00 H new ATOM 894 N GLY A 59 -16.873 7.434 -12.310 1.00 0.00 N ATOM 895 CA GLY A 59 -18.068 8.177 -12.699 1.00 0.00 C ATOM 896 C GLY A 59 -18.182 8.282 -14.216 1.00 0.00 C ATOM 897 O GLY A 59 -18.944 9.098 -14.734 1.00 0.00 O ATOM 0 H GLY A 59 -16.857 6.462 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.953 7.683 -12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.036 9.176 -12.264 1.00 0.00 H new ATOM 901 N ALA A 60 -17.420 7.453 -14.924 1.00 0.00 N ATOM 902 CA ALA A 60 -17.446 7.466 -16.383 1.00 0.00 C ATOM 903 C ALA A 60 -18.703 6.776 -16.906 1.00 0.00 C ATOM 904 O ALA A 60 -19.202 5.829 -16.299 1.00 0.00 O ATOM 905 CB ALA A 60 -16.207 6.760 -16.936 1.00 0.00 C ATOM 0 H ALA A 60 -16.782 6.770 -14.516 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.451 8.504 -16.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.236 6.775 -18.026 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.310 7.274 -16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.191 5.727 -16.588 1.00 0.00 H new ATOM 911 N THR A 61 -19.208 7.256 -18.039 1.00 0.00 N ATOM 912 CA THR A 61 -20.406 6.678 -18.637 1.00 0.00 C ATOM 913 C THR A 61 -20.075 5.364 -19.339 1.00 0.00 C ATOM 914 O THR A 61 -19.179 5.309 -20.181 1.00 0.00 O ATOM 915 CB THR A 61 -21.012 7.657 -19.644 1.00 0.00 C ATOM 916 OG1 THR A 61 -19.970 8.408 -20.255 1.00 0.00 O ATOM 917 CG2 THR A 61 -21.972 8.604 -18.924 1.00 0.00 C ATOM 0 H THR A 61 -18.809 8.038 -18.558 1.00 0.00 H new ATOM 0 HA THR A 61 -21.126 6.481 -17.843 1.00 0.00 H new ATOM 0 HB THR A 61 -21.558 7.103 -20.408 1.00 0.00 H new ATOM 0 HG1 THR A 61 -20.355 9.035 -20.902 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.403 9.301 -19.643 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.769 8.027 -18.455 1.00 0.00 H new ATOM 0 HG23 THR A 61 -21.429 9.160 -18.160 1.00 0.00 H new ATOM 925 N VAL A 62 -20.798 4.307 -18.982 1.00 0.00 N ATOM 926 CA VAL A 62 -20.571 3.003 -19.576 1.00 0.00 C ATOM 927 C VAL A 62 -21.715 2.631 -20.514 1.00 0.00 C ATOM 928 O VAL A 62 -22.848 3.079 -20.335 1.00 0.00 O ATOM 929 CB VAL A 62 -20.457 1.963 -18.469 1.00 0.00 C ATOM 930 CG1 VAL A 62 -19.297 2.330 -17.541 1.00 0.00 C ATOM 931 CG2 VAL A 62 -21.759 1.927 -17.667 1.00 0.00 C ATOM 0 H VAL A 62 -21.543 4.332 -18.286 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.648 3.034 -20.155 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.274 0.983 -18.909 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.215 1.586 -16.749 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -18.369 2.356 -18.112 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -19.480 3.310 -17.101 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -21.678 1.183 -16.875 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.942 2.907 -17.227 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -22.586 1.665 -18.327 1.00 0.00 H new ATOM 941 N SER A 63 -21.412 1.812 -21.516 1.00 0.00 N ATOM 942 CA SER A 63 -22.427 1.389 -22.475 1.00 0.00 C ATOM 943 C SER A 63 -22.289 -0.097 -22.790 1.00 0.00 C ATOM 944 O SER A 63 -21.299 -0.528 -23.381 1.00 0.00 O ATOM 945 CB SER A 63 -22.296 2.198 -23.764 1.00 0.00 C ATOM 946 OG SER A 63 -23.576 2.327 -24.368 1.00 0.00 O ATOM 0 H SER A 63 -20.481 1.431 -21.685 1.00 0.00 H new ATOM 0 HA SER A 63 -23.408 1.563 -22.033 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.882 3.183 -23.549 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.606 1.705 -24.448 1.00 0.00 H new ATOM 0 HG SER A 63 -23.497 2.847 -25.195 1.00 0.00 H new ATOM 952 N TYR A 64 -23.292 -0.873 -22.397 1.00 0.00 N ATOM 953 CA TYR A 64 -23.276 -2.310 -22.647 1.00 0.00 C ATOM 954 C TYR A 64 -23.799 -2.611 -24.052 1.00 0.00 C ATOM 955 O TYR A 64 -24.929 -2.260 -24.392 1.00 0.00 O ATOM 956 CB TYR A 64 -24.123 -3.030 -21.585 1.00 0.00 C ATOM 957 CG TYR A 64 -25.405 -3.552 -22.193 1.00 0.00 C ATOM 958 CD1 TYR A 64 -26.469 -2.675 -22.445 1.00 0.00 C ATOM 959 CD2 TYR A 64 -25.530 -4.911 -22.501 1.00 0.00 C ATOM 960 CE1 TYR A 64 -27.656 -3.160 -23.006 1.00 0.00 C ATOM 961 CE2 TYR A 64 -26.718 -5.395 -23.062 1.00 0.00 C ATOM 962 CZ TYR A 64 -27.781 -4.520 -23.315 1.00 0.00 C ATOM 963 OH TYR A 64 -28.951 -4.998 -23.867 1.00 0.00 O ATOM 0 H TYR A 64 -24.121 -0.535 -21.908 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.250 -2.673 -22.583 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.555 -3.856 -21.157 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.353 -2.345 -20.769 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -26.373 -1.626 -22.207 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -24.710 -5.587 -22.306 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -28.476 -2.485 -23.201 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -26.814 -6.444 -23.300 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.870 -5.963 -24.021 1.00 0.00 H new ATOM 973 N LEU A 65 -22.968 -3.258 -24.865 1.00 0.00 N ATOM 974 CA LEU A 65 -23.357 -3.593 -26.231 1.00 0.00 C ATOM 975 C LEU A 65 -24.105 -4.922 -26.272 1.00 0.00 C ATOM 976 O LEU A 65 -25.054 -5.088 -27.039 1.00 0.00 O ATOM 977 CB LEU A 65 -22.115 -3.675 -27.122 1.00 0.00 C ATOM 978 CG LEU A 65 -21.611 -2.265 -27.429 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.095 -2.296 -27.634 1.00 0.00 C ATOM 980 CD2 LEU A 65 -22.284 -1.751 -28.704 1.00 0.00 C ATOM 0 H LEU A 65 -22.029 -3.558 -24.604 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.019 -2.810 -26.600 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.335 -4.251 -26.624 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.354 -4.197 -28.049 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.852 -1.605 -26.596 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.737 -1.290 -27.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.613 -2.664 -26.728 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.854 -2.956 -28.467 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.926 -0.745 -28.925 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.042 -2.413 -29.535 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.364 -1.728 -28.561 1.00 0.00 H new ATOM 992 N GLY A 66 -23.672 -5.866 -25.443 1.00 0.00 N ATOM 993 CA GLY A 66 -24.310 -7.177 -25.394 1.00 0.00 C ATOM 994 C GLY A 66 -23.289 -8.288 -25.622 1.00 0.00 C ATOM 995 O GLY A 66 -22.091 -8.029 -25.737 1.00 0.00 O ATOM 0 H GLY A 66 -22.888 -5.750 -24.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -24.793 -7.315 -24.427 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.091 -7.234 -26.152 1.00 0.00 H new