USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 6 HIS : no HD1:sc= 0.567 K(o=1.1,f=-3.6!) USER MOD Set 1.2: A 10 HIS : no HD1:sc= 0.532 K(o=1.1,f=-0.42) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0239 (180deg=-0.287) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.125 (180deg=-0.0387) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.037) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.916 K(o=0.92,f=-5.7!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 167:sc=-0.00992 (180deg=-0.212) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -67:sc= 0.769 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00112 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 39:sc= 1.98 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0297 (180deg=-0.218) USER MOD Single : A 26 ASN : amide:sc= 0.0728 K(o=0.073,f=-4.7!) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.995 USER MOD Single : A 29 GLN : amide:sc= -0.0961 K(o=-0.096,f=-5.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -39:sc= 0.188 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-3.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.796 K(o=0.8,f=-0.084) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0531 (180deg=-0.281) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -76:sc= 1.23 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc=-0.00941 (180deg=-0.269) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.045 10.385 -14.541 1.00 0.00 N ATOM 2 CA MET A 1 -10.976 9.018 -13.983 1.00 0.00 C ATOM 3 C MET A 1 -10.424 8.054 -15.014 1.00 0.00 C ATOM 4 O MET A 1 -10.229 8.418 -16.176 1.00 0.00 O ATOM 5 CB MET A 1 -12.361 8.545 -13.516 1.00 0.00 C ATOM 6 CG MET A 1 -12.898 9.293 -12.309 1.00 0.00 C ATOM 7 SD MET A 1 -14.527 8.717 -11.794 1.00 0.00 S ATOM 8 CE MET A 1 -15.544 9.307 -13.153 1.00 0.00 C ATOM 0 H1 MET A 1 -10.429 11.016 -13.990 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.729 10.372 -15.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.025 10.730 -14.494 1.00 0.00 H new ATOM 0 HA MET A 1 -10.309 9.040 -13.122 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.066 8.653 -14.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.309 7.483 -13.278 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.200 9.182 -11.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.951 10.357 -12.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.594 9.269 -12.864 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.270 10.334 -13.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.385 8.676 -14.027 1.00 0.00 H new ATOM 20 N GLY A 2 -10.171 6.835 -14.591 1.00 0.00 N ATOM 21 CA GLY A 2 -9.635 5.836 -15.481 1.00 0.00 C ATOM 22 C GLY A 2 -9.079 4.663 -14.714 1.00 0.00 C ATOM 23 O GLY A 2 -9.373 4.497 -13.529 1.00 0.00 O ATOM 0 H GLY A 2 -10.329 6.514 -13.636 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.416 5.493 -16.159 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.850 6.277 -16.096 1.00 0.00 H new ATOM 27 N HIS A 3 -8.288 3.854 -15.373 1.00 0.00 N ATOM 28 CA HIS A 3 -7.690 2.693 -14.727 1.00 0.00 C ATOM 29 C HIS A 3 -6.308 3.028 -14.185 1.00 0.00 C ATOM 30 O HIS A 3 -5.731 2.269 -13.407 1.00 0.00 O ATOM 31 CB HIS A 3 -7.610 1.514 -15.702 1.00 0.00 C ATOM 32 CG HIS A 3 -8.944 0.933 -16.062 1.00 0.00 C ATOM 33 ND1 HIS A 3 -9.709 1.394 -17.111 1.00 0.00 N ATOM 34 CD2 HIS A 3 -9.650 -0.085 -15.509 1.00 0.00 C ATOM 35 CE1 HIS A 3 -10.823 0.691 -17.186 1.00 0.00 C ATOM 36 NE2 HIS A 3 -10.810 -0.212 -16.229 1.00 0.00 N ATOM 0 H HIS A 3 -8.038 3.970 -16.355 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.326 2.407 -13.890 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.109 1.842 -16.613 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.991 0.732 -15.262 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.354 -0.684 -14.660 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.612 0.833 -17.910 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.545 -0.897 -16.051 1.00 0.00 H new ATOM 44 N HIS A 4 -5.787 4.172 -14.596 1.00 0.00 N ATOM 45 CA HIS A 4 -4.462 4.608 -14.173 1.00 0.00 C ATOM 46 C HIS A 4 -4.362 6.129 -14.217 1.00 0.00 C ATOM 47 O HIS A 4 -4.986 6.770 -15.057 1.00 0.00 O ATOM 48 CB HIS A 4 -3.378 3.982 -15.078 1.00 0.00 C ATOM 49 CG HIS A 4 -3.531 4.324 -16.538 1.00 0.00 C ATOM 50 ND1 HIS A 4 -4.362 3.629 -17.390 1.00 0.00 N ATOM 51 CD2 HIS A 4 -2.965 5.298 -17.286 1.00 0.00 C ATOM 52 CE1 HIS A 4 -4.303 4.162 -18.595 1.00 0.00 C ATOM 53 NE2 HIS A 4 -3.461 5.175 -18.562 1.00 0.00 N ATOM 0 H HIS A 4 -6.262 4.820 -15.225 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.301 4.276 -13.147 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.397 4.315 -14.738 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.404 2.898 -14.964 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.255 6.036 -16.944 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.852 3.825 -19.462 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.217 5.770 -19.354 1.00 0.00 H new ATOM 61 N HIS A 5 -3.593 6.694 -13.300 1.00 0.00 N ATOM 62 CA HIS A 5 -3.373 8.134 -13.267 1.00 0.00 C ATOM 63 C HIS A 5 -2.449 8.558 -14.404 1.00 0.00 C ATOM 64 O HIS A 5 -2.707 9.541 -15.096 1.00 0.00 O ATOM 65 CB HIS A 5 -2.790 8.564 -11.912 1.00 0.00 C ATOM 66 CG HIS A 5 -2.543 10.038 -11.795 1.00 0.00 C ATOM 67 ND1 HIS A 5 -1.280 10.593 -11.813 1.00 0.00 N ATOM 68 CD2 HIS A 5 -3.405 11.075 -11.659 1.00 0.00 C ATOM 69 CE1 HIS A 5 -1.376 11.907 -11.694 1.00 0.00 C ATOM 70 NE2 HIS A 5 -2.651 12.224 -11.599 1.00 0.00 N ATOM 0 H HIS A 5 -3.109 6.177 -12.566 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.335 8.630 -13.398 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.473 8.256 -11.120 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.852 8.034 -11.747 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.482 11.011 -11.607 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -0.549 12.602 -11.678 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -3.020 13.169 -11.497 1.00 0.00 H new ATOM 78 N HIS A 6 -1.376 7.804 -14.590 1.00 0.00 N ATOM 79 CA HIS A 6 -0.404 8.092 -15.631 1.00 0.00 C ATOM 80 C HIS A 6 0.033 6.796 -16.303 1.00 0.00 C ATOM 81 O HIS A 6 0.146 5.756 -15.647 1.00 0.00 O ATOM 82 CB HIS A 6 0.806 8.844 -15.038 1.00 0.00 C ATOM 83 CG HIS A 6 1.861 9.228 -16.041 1.00 0.00 C ATOM 84 ND1 HIS A 6 1.630 10.097 -17.091 1.00 0.00 N ATOM 85 CD2 HIS A 6 3.161 8.863 -16.146 1.00 0.00 C ATOM 86 CE1 HIS A 6 2.739 10.245 -17.793 1.00 0.00 C ATOM 87 NE2 HIS A 6 3.682 9.510 -17.239 1.00 0.00 N ATOM 0 H HIS A 6 -1.156 6.982 -14.028 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.863 8.733 -16.384 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.448 9.747 -14.543 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.264 8.220 -14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.690 8.187 -15.491 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.853 10.863 -18.671 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.644 9.434 -17.569 1.00 0.00 H new ATOM 95 N HIS A 7 0.249 6.854 -17.606 1.00 0.00 N ATOM 96 CA HIS A 7 0.664 5.686 -18.374 1.00 0.00 C ATOM 97 C HIS A 7 2.158 5.437 -18.156 1.00 0.00 C ATOM 98 O HIS A 7 2.904 6.370 -17.862 1.00 0.00 O ATOM 99 CB HIS A 7 0.376 5.911 -19.867 1.00 0.00 C ATOM 100 CG HIS A 7 0.397 4.657 -20.701 1.00 0.00 C ATOM 101 ND1 HIS A 7 1.549 4.135 -21.259 1.00 0.00 N ATOM 102 CD2 HIS A 7 -0.605 3.826 -21.075 1.00 0.00 C ATOM 103 CE1 HIS A 7 1.246 3.040 -21.939 1.00 0.00 C ATOM 104 NE2 HIS A 7 -0.047 2.835 -21.838 1.00 0.00 N ATOM 0 H HIS A 7 0.144 7.704 -18.161 1.00 0.00 H new ATOM 0 HA HIS A 7 0.103 4.814 -18.038 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.601 6.384 -19.969 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.112 6.610 -20.265 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.649 3.926 -20.819 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.943 2.421 -22.484 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.556 2.059 -22.261 1.00 0.00 H new ATOM 112 N HIS A 8 2.587 4.185 -18.287 1.00 0.00 N ATOM 113 CA HIS A 8 4.000 3.847 -18.103 1.00 0.00 C ATOM 114 C HIS A 8 4.868 4.512 -19.161 1.00 0.00 C ATOM 115 O HIS A 8 6.011 4.891 -18.889 1.00 0.00 O ATOM 116 CB HIS A 8 4.226 2.330 -18.065 1.00 0.00 C ATOM 117 CG HIS A 8 3.779 1.702 -16.778 1.00 0.00 C ATOM 118 ND1 HIS A 8 4.584 1.626 -15.659 1.00 0.00 N ATOM 119 CD2 HIS A 8 2.599 1.142 -16.421 1.00 0.00 C ATOM 120 CE1 HIS A 8 3.914 1.050 -14.679 1.00 0.00 C ATOM 121 NE2 HIS A 8 2.709 0.753 -15.115 1.00 0.00 N ATOM 0 H HIS A 8 1.986 3.394 -18.517 1.00 0.00 H new ATOM 0 HA HIS A 8 4.301 4.239 -17.131 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.690 1.868 -18.894 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.285 2.122 -18.215 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.730 1.024 -17.052 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.291 0.855 -13.686 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.975 0.305 -14.567 1.00 0.00 H new ATOM 129 N SER A 9 4.340 4.644 -20.367 1.00 0.00 N ATOM 130 CA SER A 9 5.044 5.347 -21.415 1.00 0.00 C ATOM 131 C SER A 9 4.985 6.839 -21.118 1.00 0.00 C ATOM 132 O SER A 9 3.926 7.368 -20.763 1.00 0.00 O ATOM 133 CB SER A 9 4.415 5.049 -22.790 1.00 0.00 C ATOM 134 OG SER A 9 5.166 5.644 -23.844 1.00 0.00 O ATOM 0 H SER A 9 3.430 4.273 -20.639 1.00 0.00 H new ATOM 0 HA SER A 9 6.081 5.014 -21.446 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.363 3.971 -22.942 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.392 5.424 -22.813 1.00 0.00 H new ATOM 0 HG SER A 9 4.744 5.436 -24.704 1.00 0.00 H new ATOM 140 N HIS A 10 6.098 7.516 -21.243 1.00 0.00 N ATOM 141 CA HIS A 10 6.139 8.930 -20.952 1.00 0.00 C ATOM 142 C HIS A 10 6.147 9.726 -22.232 1.00 0.00 C ATOM 143 O HIS A 10 7.155 9.773 -22.936 1.00 0.00 O ATOM 144 CB HIS A 10 7.369 9.287 -20.105 1.00 0.00 C ATOM 145 CG HIS A 10 7.360 8.692 -18.725 1.00 0.00 C ATOM 146 ND1 HIS A 10 6.773 9.309 -17.638 1.00 0.00 N ATOM 147 CD2 HIS A 10 7.884 7.537 -18.254 1.00 0.00 C ATOM 148 CE1 HIS A 10 6.944 8.556 -16.562 1.00 0.00 C ATOM 149 NE2 HIS A 10 7.610 7.482 -16.911 1.00 0.00 N ATOM 0 H HIS A 10 6.986 7.114 -21.543 1.00 0.00 H new ATOM 0 HA HIS A 10 5.246 9.181 -20.379 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.265 8.952 -20.627 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.436 10.372 -20.020 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.419 6.796 -18.829 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.594 8.787 -15.567 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.881 6.725 -16.283 1.00 0.00 H new ATOM 157 N MET A 11 5.020 10.334 -22.540 1.00 0.00 N ATOM 158 CA MET A 11 4.903 11.146 -23.732 1.00 0.00 C ATOM 159 C MET A 11 5.637 12.453 -23.525 1.00 0.00 C ATOM 160 O MET A 11 5.366 13.186 -22.566 1.00 0.00 O ATOM 161 CB MET A 11 3.424 11.417 -24.054 1.00 0.00 C ATOM 162 CG MET A 11 2.633 10.166 -24.412 1.00 0.00 C ATOM 163 SD MET A 11 0.874 10.498 -24.699 1.00 0.00 S ATOM 164 CE MET A 11 0.951 11.456 -26.215 1.00 0.00 C ATOM 0 H MET A 11 4.170 10.280 -21.979 1.00 0.00 H new ATOM 0 HA MET A 11 5.346 10.611 -24.572 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.957 11.897 -23.194 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.366 12.122 -24.883 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.063 9.715 -25.306 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.733 9.437 -23.608 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.048 11.539 -26.644 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.336 12.452 -25.997 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.611 10.959 -26.926 1.00 0.00 H new ATOM 174 N VAL A 12 6.567 12.745 -24.408 1.00 0.00 N ATOM 175 CA VAL A 12 7.329 13.968 -24.300 1.00 0.00 C ATOM 176 C VAL A 12 6.548 15.118 -24.912 1.00 0.00 C ATOM 177 O VAL A 12 6.322 15.167 -26.129 1.00 0.00 O ATOM 178 CB VAL A 12 8.736 13.844 -24.953 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.650 12.994 -24.084 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.646 13.248 -26.357 1.00 0.00 C ATOM 0 H VAL A 12 6.812 12.156 -25.204 1.00 0.00 H new ATOM 0 HA VAL A 12 7.491 14.167 -23.241 1.00 0.00 H new ATOM 0 HB VAL A 12 9.154 14.847 -25.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.630 12.917 -24.554 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.754 13.457 -23.103 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.222 11.998 -23.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.645 13.175 -26.786 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.201 12.255 -26.303 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.028 13.889 -26.985 1.00 0.00 H new ATOM 190 N LYS A 13 6.115 16.030 -24.067 1.00 0.00 N ATOM 191 CA LYS A 13 5.297 17.133 -24.499 1.00 0.00 C ATOM 192 C LYS A 13 5.915 18.435 -24.058 1.00 0.00 C ATOM 193 O LYS A 13 5.848 18.789 -22.878 1.00 0.00 O ATOM 194 CB LYS A 13 3.887 16.998 -23.924 1.00 0.00 C ATOM 195 CG LYS A 13 3.140 15.753 -24.396 1.00 0.00 C ATOM 196 CD LYS A 13 1.748 15.673 -23.782 1.00 0.00 C ATOM 197 CE LYS A 13 1.812 15.440 -22.280 1.00 0.00 C ATOM 198 NZ LYS A 13 0.467 15.421 -21.662 1.00 0.00 N ATOM 0 H LYS A 13 6.321 16.024 -23.068 1.00 0.00 H new ATOM 0 HA LYS A 13 5.234 17.122 -25.587 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.950 16.981 -22.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.309 17.881 -24.196 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.060 15.765 -25.483 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.709 14.862 -24.129 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.206 16.597 -23.985 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.188 14.865 -24.253 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.315 14.494 -22.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.412 16.223 -21.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.557 15.260 -20.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.004 16.333 -21.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.098 14.657 -22.084 1.00 0.00 H new ATOM 212 N GLU A 14 6.534 19.132 -25.006 1.00 0.00 N ATOM 213 CA GLU A 14 7.192 20.403 -24.735 1.00 0.00 C ATOM 214 C GLU A 14 8.217 20.242 -23.615 1.00 0.00 C ATOM 215 O GLU A 14 8.261 21.021 -22.656 1.00 0.00 O ATOM 216 CB GLU A 14 6.163 21.482 -24.388 1.00 0.00 C ATOM 217 CG GLU A 14 6.761 22.869 -24.234 1.00 0.00 C ATOM 218 CD GLU A 14 5.730 23.915 -23.906 1.00 0.00 C ATOM 219 OE1 GLU A 14 5.437 24.116 -22.713 1.00 0.00 O ATOM 220 OE2 GLU A 14 5.195 24.539 -24.849 1.00 0.00 O ATOM 0 H GLU A 14 6.593 18.832 -25.979 1.00 0.00 H new ATOM 0 HA GLU A 14 7.718 20.721 -25.635 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.401 21.509 -25.167 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.661 21.208 -23.460 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.515 22.849 -23.447 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.271 23.145 -25.157 1.00 0.00 H new ATOM 227 N THR A 15 9.036 19.240 -23.729 1.00 0.00 N ATOM 228 CA THR A 15 9.997 18.999 -22.737 1.00 0.00 C ATOM 229 C THR A 15 11.216 19.866 -22.933 1.00 0.00 C ATOM 230 O THR A 15 12.015 19.667 -23.851 1.00 0.00 O ATOM 231 CB THR A 15 10.399 17.548 -22.704 1.00 0.00 C ATOM 232 OG1 THR A 15 9.243 16.727 -22.476 1.00 0.00 O ATOM 233 CG2 THR A 15 11.427 17.297 -21.628 1.00 0.00 C ATOM 0 H THR A 15 9.045 18.583 -24.509 1.00 0.00 H new ATOM 0 HA THR A 15 9.540 19.253 -21.781 1.00 0.00 H new ATOM 0 HB THR A 15 10.842 17.293 -23.667 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.898 16.891 -21.573 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.700 16.242 -21.625 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.313 17.901 -21.823 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.011 17.567 -20.657 1.00 0.00 H new ATOM 241 N THR A 16 11.326 20.833 -22.079 1.00 0.00 N ATOM 242 CA THR A 16 12.438 21.732 -22.075 1.00 0.00 C ATOM 243 C THR A 16 13.438 21.314 -21.013 1.00 0.00 C ATOM 244 O THR A 16 13.235 20.318 -20.332 1.00 0.00 O ATOM 245 CB THR A 16 11.994 23.210 -21.877 1.00 0.00 C ATOM 246 OG1 THR A 16 13.129 24.084 -21.905 1.00 0.00 O ATOM 247 CG2 THR A 16 11.245 23.391 -20.561 1.00 0.00 C ATOM 0 H THR A 16 10.636 21.024 -21.353 1.00 0.00 H new ATOM 0 HA THR A 16 12.917 21.678 -23.053 1.00 0.00 H new ATOM 0 HB THR A 16 11.322 23.463 -22.697 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.832 25.010 -21.781 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.948 24.434 -20.452 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.357 22.759 -20.558 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.894 23.110 -19.731 1.00 0.00 H new ATOM 255 N TYR A 17 14.490 22.088 -20.865 1.00 0.00 N ATOM 256 CA TYR A 17 15.553 21.791 -19.909 1.00 0.00 C ATOM 257 C TYR A 17 14.992 21.735 -18.504 1.00 0.00 C ATOM 258 O TYR A 17 15.394 20.909 -17.698 1.00 0.00 O ATOM 259 CB TYR A 17 16.661 22.850 -20.018 1.00 0.00 C ATOM 260 CG TYR A 17 17.271 22.926 -21.400 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.145 21.946 -21.855 1.00 0.00 C ATOM 262 CD2 TYR A 17 16.945 23.965 -22.265 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.681 22.005 -23.127 1.00 0.00 C ATOM 264 CE2 TYR A 17 17.473 24.027 -23.537 1.00 0.00 C ATOM 265 CZ TYR A 17 18.342 23.046 -23.964 1.00 0.00 C ATOM 266 OH TYR A 17 18.864 23.103 -25.235 1.00 0.00 O ATOM 0 H TYR A 17 14.640 22.943 -21.400 1.00 0.00 H new ATOM 0 HA TYR A 17 15.983 20.816 -20.140 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.252 23.825 -19.753 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.443 22.625 -19.293 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.409 21.126 -21.204 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.266 24.737 -21.934 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.363 21.238 -23.464 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.207 24.840 -24.196 1.00 0.00 H new ATOM 0 HH TYR A 17 18.523 23.899 -25.693 1.00 0.00 H new ATOM 276 N TYR A 18 14.037 22.595 -18.233 1.00 0.00 N ATOM 277 CA TYR A 18 13.394 22.624 -16.958 1.00 0.00 C ATOM 278 C TYR A 18 12.477 21.413 -16.805 1.00 0.00 C ATOM 279 O TYR A 18 12.369 20.841 -15.729 1.00 0.00 O ATOM 280 CB TYR A 18 12.621 23.922 -16.807 1.00 0.00 C ATOM 281 CG TYR A 18 13.493 25.143 -16.574 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.442 25.553 -17.517 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.353 25.899 -15.417 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.221 26.680 -17.302 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.126 27.022 -15.198 1.00 0.00 C ATOM 286 CZ TYR A 18 15.057 27.410 -16.140 1.00 0.00 C ATOM 287 OH TYR A 18 15.822 28.530 -15.914 1.00 0.00 O ATOM 0 H TYR A 18 13.691 23.289 -18.895 1.00 0.00 H new ATOM 0 HA TYR A 18 14.145 22.577 -16.169 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.023 24.082 -17.704 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.925 23.822 -15.974 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.570 24.983 -18.426 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.626 25.603 -14.675 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.951 26.985 -18.037 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.002 27.596 -14.291 1.00 0.00 H new ATOM 0 HH TYR A 18 15.938 29.022 -16.754 1.00 0.00 H new ATOM 297 N ASP A 19 11.827 21.025 -17.908 1.00 0.00 N ATOM 298 CA ASP A 19 10.942 19.850 -17.924 1.00 0.00 C ATOM 299 C ASP A 19 11.749 18.573 -17.702 1.00 0.00 C ATOM 300 O ASP A 19 11.297 17.646 -17.023 1.00 0.00 O ATOM 301 CB ASP A 19 10.172 19.763 -19.248 1.00 0.00 C ATOM 302 CG ASP A 19 8.991 18.781 -19.170 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.040 19.058 -18.405 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.005 17.752 -19.867 1.00 0.00 O ATOM 0 H ASP A 19 11.896 21.507 -18.804 1.00 0.00 H new ATOM 0 HA ASP A 19 10.221 19.958 -17.113 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.802 20.752 -19.517 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.851 19.450 -20.041 1.00 0.00 H new ATOM 309 N VAL A 20 12.955 18.541 -18.281 1.00 0.00 N ATOM 310 CA VAL A 20 13.893 17.428 -18.121 1.00 0.00 C ATOM 311 C VAL A 20 14.255 17.276 -16.657 1.00 0.00 C ATOM 312 O VAL A 20 14.289 16.171 -16.120 1.00 0.00 O ATOM 313 CB VAL A 20 15.185 17.653 -18.955 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.173 16.529 -18.761 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.852 17.804 -20.413 1.00 0.00 C ATOM 0 H VAL A 20 13.308 19.291 -18.876 1.00 0.00 H new ATOM 0 HA VAL A 20 13.409 16.521 -18.482 1.00 0.00 H new ATOM 0 HB VAL A 20 15.649 18.573 -18.600 1.00 0.00 H new ATOM 0 HG11 VAL A 20 17.064 16.720 -19.359 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.449 16.465 -17.709 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.720 15.588 -19.075 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.769 17.961 -20.981 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.355 16.901 -20.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.190 18.660 -20.548 1.00 0.00 H new ATOM 325 N LEU A 21 14.483 18.403 -16.011 1.00 0.00 N ATOM 326 CA LEU A 21 14.824 18.417 -14.583 1.00 0.00 C ATOM 327 C LEU A 21 13.560 18.315 -13.747 1.00 0.00 C ATOM 328 O LEU A 21 13.620 18.126 -12.533 1.00 0.00 O ATOM 329 CB LEU A 21 15.592 19.708 -14.199 1.00 0.00 C ATOM 330 CG LEU A 21 17.119 19.738 -14.445 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.849 18.779 -13.526 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.465 19.438 -15.884 1.00 0.00 C ATOM 0 H LEU A 21 14.441 19.326 -16.443 1.00 0.00 H new ATOM 0 HA LEU A 21 15.469 17.561 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.148 20.538 -14.748 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.419 19.898 -13.140 1.00 0.00 H new ATOM 0 HG LEU A 21 17.449 20.753 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.919 18.826 -13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.662 19.056 -12.488 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.492 17.764 -13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.547 19.470 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.097 18.446 -16.148 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.001 20.181 -16.532 1.00 0.00 H new ATOM 344 N GLY A 22 12.415 18.406 -14.412 1.00 0.00 N ATOM 345 CA GLY A 22 11.147 18.322 -13.736 1.00 0.00 C ATOM 346 C GLY A 22 10.990 19.406 -12.705 1.00 0.00 C ATOM 347 O GLY A 22 10.472 19.162 -11.611 1.00 0.00 O ATOM 0 H GLY A 22 12.349 18.538 -15.421 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.341 18.395 -14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.055 17.348 -13.256 1.00 0.00 H new ATOM 351 N VAL A 23 11.432 20.600 -13.047 1.00 0.00 N ATOM 352 CA VAL A 23 11.415 21.701 -12.121 1.00 0.00 C ATOM 353 C VAL A 23 10.663 22.869 -12.738 1.00 0.00 C ATOM 354 O VAL A 23 10.518 22.950 -13.960 1.00 0.00 O ATOM 355 CB VAL A 23 12.867 22.137 -11.753 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.432 23.141 -12.737 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.958 22.639 -10.325 1.00 0.00 C ATOM 0 H VAL A 23 11.809 20.827 -13.967 1.00 0.00 H new ATOM 0 HA VAL A 23 10.912 21.384 -11.207 1.00 0.00 H new ATOM 0 HB VAL A 23 13.489 21.245 -11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.444 23.414 -12.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.454 22.701 -13.734 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.805 24.032 -12.748 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.985 22.933 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.300 23.499 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.655 21.847 -9.641 1.00 0.00 H new ATOM 367 N LYS A 24 10.166 23.749 -11.907 1.00 0.00 N ATOM 368 CA LYS A 24 9.414 24.888 -12.369 1.00 0.00 C ATOM 369 C LYS A 24 10.359 26.019 -12.773 1.00 0.00 C ATOM 370 O LYS A 24 11.496 26.083 -12.314 1.00 0.00 O ATOM 371 CB LYS A 24 8.433 25.365 -11.286 1.00 0.00 C ATOM 372 CG LYS A 24 7.324 24.369 -10.928 1.00 0.00 C ATOM 373 CD LYS A 24 7.862 23.141 -10.198 1.00 0.00 C ATOM 374 CE LYS A 24 6.755 22.161 -9.841 1.00 0.00 C ATOM 375 NZ LYS A 24 6.002 21.696 -11.040 1.00 0.00 N ATOM 0 H LYS A 24 10.271 23.697 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 24 8.837 24.589 -13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.998 25.596 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.971 26.294 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.582 24.865 -10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.814 24.053 -11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.601 22.641 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.375 23.455 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.186 21.300 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.065 22.635 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.414 20.877 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.393 22.464 -11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.672 21.422 -11.786 1.00 0.00 H new ATOM 389 N PRO A 25 9.892 26.929 -13.625 1.00 0.00 N ATOM 390 CA PRO A 25 10.694 28.056 -14.116 1.00 0.00 C ATOM 391 C PRO A 25 11.029 29.077 -13.025 1.00 0.00 C ATOM 392 O PRO A 25 11.825 29.989 -13.242 1.00 0.00 O ATOM 393 CB PRO A 25 9.816 28.697 -15.200 1.00 0.00 C ATOM 394 CG PRO A 25 8.702 27.732 -15.449 1.00 0.00 C ATOM 395 CD PRO A 25 8.543 26.937 -14.189 1.00 0.00 C ATOM 0 HA PRO A 25 11.662 27.715 -14.483 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.431 29.662 -14.870 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.388 28.876 -16.110 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.780 28.258 -15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.933 27.081 -16.292 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.826 27.398 -13.510 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.186 25.927 -14.392 1.00 0.00 H new ATOM 403 N ASN A 26 10.427 28.921 -11.861 1.00 0.00 N ATOM 404 CA ASN A 26 10.637 29.844 -10.766 1.00 0.00 C ATOM 405 C ASN A 26 11.460 29.170 -9.687 1.00 0.00 C ATOM 406 O ASN A 26 11.606 29.683 -8.582 1.00 0.00 O ATOM 407 CB ASN A 26 9.286 30.320 -10.197 1.00 0.00 C ATOM 408 CG ASN A 26 8.485 29.211 -9.519 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.657 28.022 -9.814 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.599 29.594 -8.621 1.00 0.00 N ATOM 0 H ASN A 26 9.784 28.157 -11.651 1.00 0.00 H new ATOM 0 HA ASN A 26 11.177 30.717 -11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.465 31.119 -9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.690 30.745 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.026 28.900 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.487 30.585 -8.405 1.00 0.00 H new ATOM 417 N ALA A 27 12.003 28.012 -10.028 1.00 0.00 N ATOM 418 CA ALA A 27 12.799 27.244 -9.115 1.00 0.00 C ATOM 419 C ALA A 27 14.089 27.946 -8.769 1.00 0.00 C ATOM 420 O ALA A 27 14.652 28.692 -9.578 1.00 0.00 O ATOM 421 CB ALA A 27 13.080 25.900 -9.712 1.00 0.00 C ATOM 0 H ALA A 27 11.898 27.587 -10.949 1.00 0.00 H new ATOM 0 HA ALA A 27 12.238 27.125 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.685 25.314 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.140 25.382 -9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.620 26.024 -10.651 1.00 0.00 H new ATOM 427 N THR A 28 14.535 27.719 -7.569 1.00 0.00 N ATOM 428 CA THR A 28 15.738 28.311 -7.070 1.00 0.00 C ATOM 429 C THR A 28 16.930 27.525 -7.473 1.00 0.00 C ATOM 430 O THR A 28 16.820 26.392 -7.912 1.00 0.00 O ATOM 431 CB THR A 28 15.702 28.382 -5.541 1.00 0.00 C ATOM 432 OG1 THR A 28 15.695 27.058 -4.985 1.00 0.00 O ATOM 433 CG2 THR A 28 14.464 29.078 -5.110 1.00 0.00 C ATOM 0 H THR A 28 14.065 27.108 -6.901 1.00 0.00 H new ATOM 0 HA THR A 28 15.806 29.313 -7.493 1.00 0.00 H new ATOM 0 HB THR A 28 16.583 28.922 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.514 27.108 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.436 29.130 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.452 30.087 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.594 28.529 -5.470 1.00 0.00 H new ATOM 441 N GLN A 29 18.066 28.131 -7.330 1.00 0.00 N ATOM 442 CA GLN A 29 19.319 27.449 -7.540 1.00 0.00 C ATOM 443 C GLN A 29 19.394 26.201 -6.670 1.00 0.00 C ATOM 444 O GLN A 29 19.919 25.162 -7.085 1.00 0.00 O ATOM 445 CB GLN A 29 20.466 28.397 -7.249 1.00 0.00 C ATOM 446 CG GLN A 29 20.778 29.335 -8.395 1.00 0.00 C ATOM 447 CD GLN A 29 21.252 28.584 -9.620 1.00 0.00 C ATOM 448 OE1 GLN A 29 21.887 27.546 -9.506 1.00 0.00 O ATOM 449 NE2 GLN A 29 20.948 29.100 -10.793 1.00 0.00 N ATOM 0 H GLN A 29 18.159 29.112 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 29 19.391 27.130 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.225 28.985 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 29 21.357 27.815 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 29 19.888 29.913 -8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.544 30.046 -8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.416 29.969 -10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.244 28.631 -11.649 1.00 0.00 H new ATOM 458 N GLU A 30 18.836 26.308 -5.477 1.00 0.00 N ATOM 459 CA GLU A 30 18.790 25.203 -4.551 1.00 0.00 C ATOM 460 C GLU A 30 17.855 24.126 -5.108 1.00 0.00 C ATOM 461 O GLU A 30 18.180 22.939 -5.113 1.00 0.00 O ATOM 462 CB GLU A 30 18.259 25.698 -3.206 1.00 0.00 C ATOM 463 CG GLU A 30 18.601 24.799 -2.040 1.00 0.00 C ATOM 464 CD GLU A 30 20.067 24.864 -1.683 1.00 0.00 C ATOM 465 OE1 GLU A 30 20.523 25.939 -1.229 1.00 0.00 O ATOM 466 OE2 GLU A 30 20.771 23.850 -1.847 1.00 0.00 O ATOM 0 H GLU A 30 18.404 27.164 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 30 19.788 24.786 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.659 26.693 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.175 25.797 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.004 25.086 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.333 23.771 -2.285 1.00 0.00 H new ATOM 473 N GLU A 31 16.703 24.578 -5.614 1.00 0.00 N ATOM 474 CA GLU A 31 15.684 23.713 -6.167 1.00 0.00 C ATOM 475 C GLU A 31 16.170 23.007 -7.424 1.00 0.00 C ATOM 476 O GLU A 31 15.841 21.843 -7.658 1.00 0.00 O ATOM 477 CB GLU A 31 14.409 24.521 -6.434 1.00 0.00 C ATOM 478 CG GLU A 31 13.246 23.668 -6.890 1.00 0.00 C ATOM 479 CD GLU A 31 11.908 24.370 -6.766 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.616 24.898 -5.673 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.141 24.390 -7.744 1.00 0.00 O ATOM 0 H GLU A 31 16.460 25.568 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 31 15.458 22.934 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.127 25.052 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.617 25.275 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.402 23.377 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.224 22.750 -6.302 1.00 0.00 H new ATOM 488 N LEU A 32 16.968 23.699 -8.212 1.00 0.00 N ATOM 489 CA LEU A 32 17.536 23.129 -9.420 1.00 0.00 C ATOM 490 C LEU A 32 18.399 21.922 -9.071 1.00 0.00 C ATOM 491 O LEU A 32 18.338 20.879 -9.729 1.00 0.00 O ATOM 492 CB LEU A 32 18.368 24.171 -10.165 1.00 0.00 C ATOM 493 CG LEU A 32 17.597 25.144 -11.067 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.121 25.165 -10.729 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.161 26.537 -10.949 1.00 0.00 C ATOM 0 H LEU A 32 17.241 24.666 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 32 16.721 22.809 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.923 24.754 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.103 23.647 -10.777 1.00 0.00 H new ATOM 0 HG LEU A 32 17.710 24.793 -12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.607 25.865 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.703 24.167 -10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.989 25.478 -9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.601 27.212 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.082 26.875 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.209 26.532 -11.250 1.00 0.00 H new ATOM 507 N LYS A 33 19.200 22.072 -8.022 1.00 0.00 N ATOM 508 CA LYS A 33 20.047 20.994 -7.526 1.00 0.00 C ATOM 509 C LYS A 33 19.202 19.846 -6.998 1.00 0.00 C ATOM 510 O LYS A 33 19.509 18.673 -7.220 1.00 0.00 O ATOM 511 CB LYS A 33 20.982 21.515 -6.436 1.00 0.00 C ATOM 512 CG LYS A 33 21.932 22.589 -6.930 1.00 0.00 C ATOM 513 CD LYS A 33 22.858 23.076 -5.830 1.00 0.00 C ATOM 514 CE LYS A 33 23.754 24.194 -6.336 1.00 0.00 C ATOM 515 NZ LYS A 33 24.693 24.676 -5.292 1.00 0.00 N ATOM 0 H LYS A 33 19.280 22.941 -7.493 1.00 0.00 H new ATOM 0 HA LYS A 33 20.650 20.620 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.386 21.915 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.561 20.683 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.525 22.197 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.358 23.430 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.270 23.430 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.469 22.248 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.321 23.841 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.137 25.025 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.284 25.438 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.153 25.037 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.300 23.891 -4.982 1.00 0.00 H new ATOM 529 N LYS A 34 18.128 20.193 -6.293 1.00 0.00 N ATOM 530 CA LYS A 34 17.238 19.200 -5.702 1.00 0.00 C ATOM 531 C LYS A 34 16.573 18.358 -6.784 1.00 0.00 C ATOM 532 O LYS A 34 16.459 17.130 -6.648 1.00 0.00 O ATOM 533 CB LYS A 34 16.177 19.875 -4.825 1.00 0.00 C ATOM 534 CG LYS A 34 16.756 20.721 -3.697 1.00 0.00 C ATOM 535 CD LYS A 34 17.666 19.924 -2.783 1.00 0.00 C ATOM 536 CE LYS A 34 18.252 20.817 -1.700 1.00 0.00 C ATOM 537 NZ LYS A 34 19.174 20.077 -0.804 1.00 0.00 N ATOM 0 H LYS A 34 17.853 21.159 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 34 17.838 18.542 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.548 20.506 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.532 19.108 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.314 21.555 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.941 21.147 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.107 19.108 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.470 19.473 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.786 21.646 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.443 21.249 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.550 20.724 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.659 19.301 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.960 19.686 -1.361 1.00 0.00 H new ATOM 551 N ALA A 35 16.144 19.021 -7.861 1.00 0.00 N ATOM 552 CA ALA A 35 15.511 18.335 -8.988 1.00 0.00 C ATOM 553 C ALA A 35 16.462 17.308 -9.570 1.00 0.00 C ATOM 554 O ALA A 35 16.093 16.157 -9.787 1.00 0.00 O ATOM 555 CB ALA A 35 15.109 19.334 -10.065 1.00 0.00 C ATOM 0 H ALA A 35 16.224 20.031 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 35 14.614 17.831 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.640 18.805 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.404 20.054 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.995 19.859 -10.423 1.00 0.00 H new ATOM 561 N TYR A 36 17.696 17.730 -9.789 1.00 0.00 N ATOM 562 CA TYR A 36 18.720 16.861 -10.333 1.00 0.00 C ATOM 563 C TYR A 36 18.944 15.659 -9.442 1.00 0.00 C ATOM 564 O TYR A 36 19.021 14.538 -9.921 1.00 0.00 O ATOM 565 CB TYR A 36 20.031 17.619 -10.519 1.00 0.00 C ATOM 566 CG TYR A 36 21.180 16.746 -10.974 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.246 16.282 -12.273 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.198 16.389 -10.095 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.291 15.484 -12.696 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.248 15.594 -10.510 1.00 0.00 C ATOM 571 CZ TYR A 36 23.289 15.143 -11.808 1.00 0.00 C ATOM 572 OH TYR A 36 24.337 14.355 -12.227 1.00 0.00 O ATOM 0 H TYR A 36 18.013 18.680 -9.595 1.00 0.00 H new ATOM 0 HA TYR A 36 18.373 16.512 -11.306 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.880 18.415 -11.249 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.301 18.097 -9.577 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.466 16.548 -12.971 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.166 16.739 -9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.326 15.130 -13.716 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.033 15.328 -9.818 1.00 0.00 H new ATOM 0 HH TYR A 36 24.003 13.661 -12.832 1.00 0.00 H new ATOM 582 N ARG A 37 19.041 15.899 -8.141 1.00 0.00 N ATOM 583 CA ARG A 37 19.289 14.831 -7.181 1.00 0.00 C ATOM 584 C ARG A 37 18.186 13.775 -7.259 1.00 0.00 C ATOM 585 O ARG A 37 18.457 12.577 -7.267 1.00 0.00 O ATOM 586 CB ARG A 37 19.340 15.388 -5.769 1.00 0.00 C ATOM 587 CG ARG A 37 19.815 14.386 -4.738 1.00 0.00 C ATOM 588 CD ARG A 37 19.618 14.907 -3.334 1.00 0.00 C ATOM 589 NE ARG A 37 18.197 14.951 -2.980 1.00 0.00 N ATOM 590 CZ ARG A 37 17.561 13.966 -2.333 1.00 0.00 C ATOM 591 NH1 ARG A 37 18.229 12.893 -1.913 1.00 0.00 N ATOM 592 NH2 ARG A 37 16.256 14.059 -2.098 1.00 0.00 N ATOM 0 H ARG A 37 18.951 16.826 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 37 20.248 14.374 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.001 16.254 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.347 15.740 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.271 13.450 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.870 14.165 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.152 14.270 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.048 15.905 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 37 17.662 15.779 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.232 12.818 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.738 12.147 -1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.739 14.881 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.772 13.309 -1.605 1.00 0.00 H new ATOM 606 N LYS A 38 16.948 14.238 -7.329 1.00 0.00 N ATOM 607 CA LYS A 38 15.793 13.353 -7.385 1.00 0.00 C ATOM 608 C LYS A 38 15.847 12.466 -8.628 1.00 0.00 C ATOM 609 O LYS A 38 15.702 11.235 -8.546 1.00 0.00 O ATOM 610 CB LYS A 38 14.521 14.214 -7.410 1.00 0.00 C ATOM 611 CG LYS A 38 13.218 13.438 -7.492 1.00 0.00 C ATOM 612 CD LYS A 38 12.034 14.391 -7.542 1.00 0.00 C ATOM 613 CE LYS A 38 10.718 13.644 -7.630 1.00 0.00 C ATOM 614 NZ LYS A 38 9.565 14.575 -7.686 1.00 0.00 N ATOM 0 H LYS A 38 16.715 15.231 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 38 15.792 12.703 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.502 14.832 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.576 14.891 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.220 12.804 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.126 12.778 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.036 15.021 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.135 15.053 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.718 13.010 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.614 12.986 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.681 14.030 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.552 15.163 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.652 15.186 -8.523 1.00 0.00 H new ATOM 628 N LEU A 39 16.072 13.091 -9.764 1.00 0.00 N ATOM 629 CA LEU A 39 16.119 12.391 -11.035 1.00 0.00 C ATOM 630 C LEU A 39 17.301 11.459 -11.097 1.00 0.00 C ATOM 631 O LEU A 39 17.190 10.336 -11.558 1.00 0.00 O ATOM 632 CB LEU A 39 16.219 13.381 -12.150 1.00 0.00 C ATOM 633 CG LEU A 39 15.210 14.488 -12.108 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.446 15.467 -13.226 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.789 13.951 -12.146 1.00 0.00 C ATOM 0 H LEU A 39 16.228 14.097 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 39 15.206 11.804 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.217 13.819 -12.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.115 12.851 -13.097 1.00 0.00 H new ATOM 0 HG LEU A 39 15.335 15.013 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.702 16.262 -13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.443 15.896 -13.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.364 14.953 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.085 14.782 -12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.639 13.384 -13.064 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.622 13.301 -11.287 1.00 0.00 H new ATOM 647 N ALA A 40 18.431 11.939 -10.610 1.00 0.00 N ATOM 648 CA ALA A 40 19.678 11.176 -10.638 1.00 0.00 C ATOM 649 C ALA A 40 19.554 9.858 -9.907 1.00 0.00 C ATOM 650 O ALA A 40 20.082 8.838 -10.348 1.00 0.00 O ATOM 651 CB ALA A 40 20.826 11.996 -10.072 1.00 0.00 C ATOM 0 H ALA A 40 18.516 12.862 -10.185 1.00 0.00 H new ATOM 0 HA ALA A 40 19.892 10.950 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.743 11.408 -10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.955 12.901 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.604 12.268 -9.040 1.00 0.00 H new ATOM 657 N LEU A 41 18.880 9.886 -8.790 1.00 0.00 N ATOM 658 CA LEU A 41 18.665 8.704 -8.002 1.00 0.00 C ATOM 659 C LEU A 41 17.801 7.682 -8.753 1.00 0.00 C ATOM 660 O LEU A 41 18.083 6.485 -8.731 1.00 0.00 O ATOM 661 CB LEU A 41 18.005 9.088 -6.682 1.00 0.00 C ATOM 662 CG LEU A 41 18.868 9.923 -5.728 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.064 10.351 -4.516 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.109 9.150 -5.306 1.00 0.00 C ATOM 0 H LEU A 41 18.463 10.731 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 41 19.631 8.238 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.094 9.645 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.705 8.175 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 41 19.191 10.819 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.694 10.942 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.213 10.951 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.706 9.468 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.706 9.762 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.811 8.233 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.700 8.901 -6.187 1.00 0.00 H new ATOM 676 N LYS A 42 16.749 8.162 -9.402 1.00 0.00 N ATOM 677 CA LYS A 42 15.828 7.301 -10.123 1.00 0.00 C ATOM 678 C LYS A 42 16.361 6.837 -11.488 1.00 0.00 C ATOM 679 O LYS A 42 16.288 5.658 -11.820 1.00 0.00 O ATOM 680 CB LYS A 42 14.484 8.004 -10.286 1.00 0.00 C ATOM 681 CG LYS A 42 13.556 7.874 -9.075 1.00 0.00 C ATOM 682 CD LYS A 42 14.139 8.536 -7.833 1.00 0.00 C ATOM 683 CE LYS A 42 13.224 8.372 -6.633 1.00 0.00 C ATOM 684 NZ LYS A 42 13.805 8.966 -5.406 1.00 0.00 N ATOM 0 H LYS A 42 16.513 9.153 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 42 15.708 6.398 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.661 9.062 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.978 7.598 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.592 8.326 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.373 6.819 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.113 8.101 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.300 9.596 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.263 8.842 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.031 7.312 -6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.148 8.832 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.710 8.501 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.965 9.983 -5.555 1.00 0.00 H new ATOM 698 N TYR A 43 16.905 7.763 -12.256 1.00 0.00 N ATOM 699 CA TYR A 43 17.389 7.466 -13.618 1.00 0.00 C ATOM 700 C TYR A 43 18.890 7.225 -13.635 1.00 0.00 C ATOM 701 O TYR A 43 19.550 7.468 -14.646 1.00 0.00 O ATOM 702 CB TYR A 43 17.027 8.598 -14.606 1.00 0.00 C ATOM 703 CG TYR A 43 15.538 8.813 -14.786 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.830 8.102 -15.744 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.844 9.726 -14.005 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.475 8.293 -15.917 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.482 9.922 -14.174 1.00 0.00 C ATOM 708 CZ TYR A 43 12.806 9.201 -15.132 1.00 0.00 C ATOM 709 OH TYR A 43 11.456 9.390 -15.309 1.00 0.00 O ATOM 0 H TYR A 43 17.029 8.734 -11.971 1.00 0.00 H new ATOM 0 HA TYR A 43 16.888 6.553 -13.939 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.477 9.527 -14.257 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.470 8.374 -15.576 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.349 7.387 -16.365 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.373 10.293 -13.253 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.941 7.730 -16.668 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.955 10.636 -13.558 1.00 0.00 H new ATOM 0 HH TYR A 43 11.134 10.064 -14.675 1.00 0.00 H new ATOM 719 N HIS A 44 19.421 6.766 -12.509 1.00 0.00 N ATOM 720 CA HIS A 44 20.847 6.455 -12.373 1.00 0.00 C ATOM 721 C HIS A 44 21.304 5.559 -13.537 1.00 0.00 C ATOM 722 O HIS A 44 20.798 4.454 -13.701 1.00 0.00 O ATOM 723 CB HIS A 44 21.089 5.734 -11.044 1.00 0.00 C ATOM 724 CG HIS A 44 22.482 5.870 -10.521 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.544 5.136 -10.995 1.00 0.00 N ATOM 726 CD2 HIS A 44 22.983 6.664 -9.549 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.640 5.474 -10.334 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.323 6.401 -9.453 1.00 0.00 N ATOM 0 H HIS A 44 18.879 6.597 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 44 21.418 7.383 -12.393 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.394 6.123 -10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.862 4.676 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.428 7.376 -8.956 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.625 5.061 -10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 44 24.971 6.850 -8.805 1.00 0.00 H new ATOM 736 N PRO A 45 22.281 6.019 -14.347 1.00 0.00 N ATOM 737 CA PRO A 45 22.746 5.288 -15.539 1.00 0.00 C ATOM 738 C PRO A 45 23.302 3.900 -15.228 1.00 0.00 C ATOM 739 O PRO A 45 23.272 3.005 -16.073 1.00 0.00 O ATOM 740 CB PRO A 45 23.839 6.188 -16.115 1.00 0.00 C ATOM 741 CG PRO A 45 24.242 7.057 -14.988 1.00 0.00 C ATOM 742 CD PRO A 45 23.004 7.281 -14.178 1.00 0.00 C ATOM 0 HA PRO A 45 21.921 5.098 -16.226 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.681 5.602 -16.484 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.467 6.775 -16.955 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.020 6.584 -14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.648 8.002 -15.349 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.234 7.479 -13.131 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.428 8.131 -14.544 1.00 0.00 H new ATOM 750 N ASP A 46 23.816 3.728 -14.022 1.00 0.00 N ATOM 751 CA ASP A 46 24.351 2.436 -13.600 1.00 0.00 C ATOM 752 C ASP A 46 23.233 1.486 -13.194 1.00 0.00 C ATOM 753 O ASP A 46 23.430 0.270 -13.100 1.00 0.00 O ATOM 754 CB ASP A 46 25.337 2.603 -12.448 1.00 0.00 C ATOM 755 CG ASP A 46 26.616 3.284 -12.872 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.528 2.586 -13.358 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.719 4.521 -12.727 1.00 0.00 O ATOM 0 H ASP A 46 23.876 4.462 -13.316 1.00 0.00 H new ATOM 0 HA ASP A 46 24.879 2.006 -14.451 1.00 0.00 H new ATOM 0 HB2 ASP A 46 24.867 3.183 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.572 1.624 -12.031 1.00 0.00 H new ATOM 762 N LYS A 47 22.055 2.035 -12.974 1.00 0.00 N ATOM 763 CA LYS A 47 20.921 1.240 -12.540 1.00 0.00 C ATOM 764 C LYS A 47 19.928 1.065 -13.686 1.00 0.00 C ATOM 765 O LYS A 47 19.293 0.015 -13.816 1.00 0.00 O ATOM 766 CB LYS A 47 20.273 1.899 -11.318 1.00 0.00 C ATOM 767 CG LYS A 47 19.442 0.958 -10.467 1.00 0.00 C ATOM 768 CD LYS A 47 19.017 1.634 -9.182 1.00 0.00 C ATOM 769 CE LYS A 47 18.229 0.696 -8.284 1.00 0.00 C ATOM 770 NZ LYS A 47 17.987 1.290 -6.949 1.00 0.00 N ATOM 0 H LYS A 47 21.857 3.029 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 47 21.258 0.245 -12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.056 2.335 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.640 2.719 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 47 18.561 0.638 -11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.018 0.061 -10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.899 1.991 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.410 2.509 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.275 0.458 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.772 -0.242 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.447 0.621 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.897 1.494 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.447 2.172 -7.054 1.00 0.00 H new ATOM 784 N ASN A 48 19.824 2.085 -14.524 1.00 0.00 N ATOM 785 CA ASN A 48 19.009 2.039 -15.736 1.00 0.00 C ATOM 786 C ASN A 48 19.827 2.558 -16.896 1.00 0.00 C ATOM 787 O ASN A 48 19.792 3.743 -17.218 1.00 0.00 O ATOM 788 CB ASN A 48 17.737 2.872 -15.608 1.00 0.00 C ATOM 789 CG ASN A 48 16.749 2.314 -14.593 1.00 0.00 C ATOM 790 OD1 ASN A 48 16.902 2.495 -13.383 1.00 0.00 O ATOM 791 ND2 ASN A 48 15.708 1.673 -15.083 1.00 0.00 N ATOM 0 H ASN A 48 20.304 2.974 -14.385 1.00 0.00 H new ATOM 0 HA ASN A 48 18.711 1.004 -15.900 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.005 3.889 -15.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.251 2.932 -16.582 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.993 1.306 -14.455 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.617 1.543 -16.091 1.00 0.00 H new ATOM 798 N PRO A 49 20.604 1.675 -17.508 1.00 0.00 N ATOM 799 CA PRO A 49 21.482 2.012 -18.605 1.00 0.00 C ATOM 800 C PRO A 49 20.717 2.532 -19.815 1.00 0.00 C ATOM 801 O PRO A 49 21.178 3.421 -20.532 1.00 0.00 O ATOM 802 CB PRO A 49 22.159 0.685 -18.924 1.00 0.00 C ATOM 803 CG PRO A 49 21.253 -0.325 -18.389 1.00 0.00 C ATOM 804 CD PRO A 49 20.666 0.275 -17.181 1.00 0.00 C ATOM 0 HA PRO A 49 22.179 2.810 -18.349 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.303 0.561 -19.997 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.144 0.620 -18.461 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.481 -0.583 -19.114 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.787 -1.245 -18.151 1.00 0.00 H new ATOM 0 HD2 PRO A 49 19.678 -0.133 -16.968 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.283 0.094 -16.301 1.00 0.00 H new ATOM 812 N ASN A 50 19.530 1.985 -20.008 1.00 0.00 N ATOM 813 CA ASN A 50 18.666 2.366 -21.112 1.00 0.00 C ATOM 814 C ASN A 50 18.171 3.795 -20.938 1.00 0.00 C ATOM 815 O ASN A 50 17.999 4.530 -21.914 1.00 0.00 O ATOM 816 CB ASN A 50 17.487 1.402 -21.239 1.00 0.00 C ATOM 817 CG ASN A 50 17.929 -0.017 -21.571 1.00 0.00 C ATOM 818 OD1 ASN A 50 18.933 -0.227 -22.249 1.00 0.00 O ATOM 819 ND2 ASN A 50 17.193 -0.989 -21.088 1.00 0.00 N ATOM 0 H ASN A 50 19.137 1.263 -19.403 1.00 0.00 H new ATOM 0 HA ASN A 50 19.249 2.313 -22.031 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.925 1.395 -20.305 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.811 1.760 -22.015 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.447 -1.960 -21.271 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.367 -0.774 -20.530 1.00 0.00 H new ATOM 826 N GLU A 51 17.952 4.196 -19.685 1.00 0.00 N ATOM 827 CA GLU A 51 17.455 5.532 -19.395 1.00 0.00 C ATOM 828 C GLU A 51 18.607 6.518 -19.198 1.00 0.00 C ATOM 829 O GLU A 51 18.387 7.690 -18.906 1.00 0.00 O ATOM 830 CB GLU A 51 16.535 5.527 -18.156 1.00 0.00 C ATOM 831 CG GLU A 51 15.168 4.860 -18.369 1.00 0.00 C ATOM 832 CD GLU A 51 15.240 3.351 -18.571 1.00 0.00 C ATOM 833 OE1 GLU A 51 15.220 2.609 -17.579 1.00 0.00 O ATOM 834 OE2 GLU A 51 15.291 2.904 -19.727 1.00 0.00 O ATOM 0 H GLU A 51 18.111 3.615 -18.862 1.00 0.00 H new ATOM 0 HA GLU A 51 16.869 5.857 -20.255 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.049 5.017 -17.342 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.375 6.557 -17.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.534 5.071 -17.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.687 5.310 -19.237 1.00 0.00 H new ATOM 841 N GLY A 52 19.831 6.038 -19.396 1.00 0.00 N ATOM 842 CA GLY A 52 21.000 6.884 -19.240 1.00 0.00 C ATOM 843 C GLY A 52 21.051 7.999 -20.265 1.00 0.00 C ATOM 844 O GLY A 52 21.627 9.052 -20.012 1.00 0.00 O ATOM 0 H GLY A 52 20.034 5.075 -19.663 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.001 7.315 -18.239 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.900 6.275 -19.326 1.00 0.00 H new ATOM 848 N GLU A 53 20.453 7.769 -21.430 1.00 0.00 N ATOM 849 CA GLU A 53 20.404 8.804 -22.465 1.00 0.00 C ATOM 850 C GLU A 53 19.564 9.976 -21.972 1.00 0.00 C ATOM 851 O GLU A 53 19.850 11.141 -22.262 1.00 0.00 O ATOM 852 CB GLU A 53 19.848 8.263 -23.792 1.00 0.00 C ATOM 853 CG GLU A 53 20.742 7.229 -24.471 1.00 0.00 C ATOM 854 CD GLU A 53 20.281 6.896 -25.871 1.00 0.00 C ATOM 855 OE1 GLU A 53 19.393 6.027 -26.028 1.00 0.00 O ATOM 856 OE2 GLU A 53 20.806 7.503 -26.828 1.00 0.00 O ATOM 0 H GLU A 53 20.001 6.890 -21.682 1.00 0.00 H new ATOM 0 HA GLU A 53 21.423 9.139 -22.658 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.871 7.817 -23.608 1.00 0.00 H new ATOM 0 HB3 GLU A 53 19.694 9.098 -24.475 1.00 0.00 H new ATOM 0 HG2 GLU A 53 21.764 7.606 -24.508 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.760 6.319 -23.872 1.00 0.00 H new ATOM 863 N LYS A 54 18.530 9.646 -21.219 1.00 0.00 N ATOM 864 CA LYS A 54 17.675 10.618 -20.594 1.00 0.00 C ATOM 865 C LYS A 54 18.451 11.369 -19.524 1.00 0.00 C ATOM 866 O LYS A 54 18.255 12.560 -19.312 1.00 0.00 O ATOM 867 CB LYS A 54 16.446 9.943 -20.025 1.00 0.00 C ATOM 868 CG LYS A 54 15.470 9.467 -21.098 1.00 0.00 C ATOM 869 CD LYS A 54 14.281 8.790 -20.486 1.00 0.00 C ATOM 870 CE LYS A 54 13.295 8.334 -21.555 1.00 0.00 C ATOM 871 NZ LYS A 54 13.904 7.355 -22.493 1.00 0.00 N ATOM 0 H LYS A 54 18.264 8.680 -21.027 1.00 0.00 H new ATOM 0 HA LYS A 54 17.338 11.341 -21.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.755 9.090 -19.420 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.934 10.637 -19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.140 10.316 -21.696 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.976 8.778 -21.774 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.610 7.931 -19.901 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.784 9.474 -19.798 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.424 7.885 -21.077 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.941 9.200 -22.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.157 6.907 -23.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.570 7.846 -23.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.412 6.626 -21.952 1.00 0.00 H new ATOM 885 N PHE A 55 19.337 10.648 -18.857 1.00 0.00 N ATOM 886 CA PHE A 55 20.199 11.216 -17.831 1.00 0.00 C ATOM 887 C PHE A 55 21.125 12.265 -18.433 1.00 0.00 C ATOM 888 O PHE A 55 21.431 13.273 -17.796 1.00 0.00 O ATOM 889 CB PHE A 55 21.024 10.113 -17.146 1.00 0.00 C ATOM 890 CG PHE A 55 21.829 10.594 -15.966 1.00 0.00 C ATOM 891 CD1 PHE A 55 21.226 10.835 -14.741 1.00 0.00 C ATOM 892 CD2 PHE A 55 23.192 10.807 -16.089 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.969 11.277 -13.666 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.939 11.249 -15.012 1.00 0.00 C ATOM 895 CZ PHE A 55 23.326 11.485 -13.799 1.00 0.00 C ATOM 0 H PHE A 55 19.480 9.650 -19.011 1.00 0.00 H new ATOM 0 HA PHE A 55 19.568 11.695 -17.082 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.351 9.322 -16.816 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.700 9.671 -17.878 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.164 10.675 -14.627 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.677 10.626 -17.037 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.487 11.461 -12.717 1.00 0.00 H new ATOM 0 HE2 PHE A 55 25.001 11.409 -15.121 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.906 11.831 -12.957 1.00 0.00 H new ATOM 905 N LYS A 56 21.577 12.017 -19.653 1.00 0.00 N ATOM 906 CA LYS A 56 22.461 12.942 -20.354 1.00 0.00 C ATOM 907 C LYS A 56 21.778 14.299 -20.492 1.00 0.00 C ATOM 908 O LYS A 56 22.410 15.347 -20.325 1.00 0.00 O ATOM 909 CB LYS A 56 22.814 12.381 -21.732 1.00 0.00 C ATOM 910 CG LYS A 56 23.631 11.098 -21.670 1.00 0.00 C ATOM 911 CD LYS A 56 23.861 10.508 -23.049 1.00 0.00 C ATOM 912 CE LYS A 56 24.751 11.395 -23.900 1.00 0.00 C ATOM 913 NZ LYS A 56 25.021 10.793 -25.230 1.00 0.00 N ATOM 0 H LYS A 56 21.345 11.177 -20.183 1.00 0.00 H new ATOM 0 HA LYS A 56 23.381 13.066 -19.783 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.894 12.191 -22.286 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.373 13.132 -22.290 1.00 0.00 H new ATOM 0 HG2 LYS A 56 24.592 11.302 -21.197 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.116 10.369 -21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.317 9.523 -22.951 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.903 10.368 -23.549 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.276 12.367 -24.031 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.694 11.568 -23.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.632 11.429 -25.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.497 9.877 -25.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.123 10.651 -25.736 1.00 0.00 H new ATOM 927 N GLN A 57 20.480 14.263 -20.779 1.00 0.00 N ATOM 928 CA GLN A 57 19.667 15.446 -20.869 1.00 0.00 C ATOM 929 C GLN A 57 19.696 16.193 -19.552 1.00 0.00 C ATOM 930 O GLN A 57 19.938 17.410 -19.502 1.00 0.00 O ATOM 931 CB GLN A 57 18.241 15.010 -21.125 1.00 0.00 C ATOM 932 CG GLN A 57 18.021 14.360 -22.458 1.00 0.00 C ATOM 933 CD GLN A 57 16.609 13.830 -22.636 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.671 14.314 -22.022 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.461 12.817 -23.474 1.00 0.00 N ATOM 0 H GLN A 57 19.969 13.398 -20.955 1.00 0.00 H new ATOM 0 HA GLN A 57 20.041 16.090 -21.665 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.941 14.314 -20.341 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.589 15.880 -21.047 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.234 15.081 -23.247 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.728 13.539 -22.577 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.270 12.441 -23.968 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.537 12.412 -23.626 1.00 0.00 H new ATOM 944 N ILE A 58 19.475 15.442 -18.494 1.00 0.00 N ATOM 945 CA ILE A 58 19.393 15.971 -17.161 1.00 0.00 C ATOM 946 C ILE A 58 20.715 16.597 -16.724 1.00 0.00 C ATOM 947 O ILE A 58 20.737 17.711 -16.207 1.00 0.00 O ATOM 948 CB ILE A 58 19.013 14.842 -16.165 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.610 14.326 -16.441 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.106 15.319 -14.751 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.255 13.075 -15.668 1.00 0.00 C ATOM 0 H ILE A 58 19.346 14.431 -18.543 1.00 0.00 H new ATOM 0 HA ILE A 58 18.626 16.746 -17.161 1.00 0.00 H new ATOM 0 HB ILE A 58 19.723 14.027 -16.306 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.891 15.108 -16.197 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.511 14.123 -17.507 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.835 14.508 -14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.126 15.640 -14.542 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.425 16.157 -14.604 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.239 12.769 -15.918 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.950 12.277 -15.929 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.320 13.277 -14.599 1.00 0.00 H new ATOM 963 N SER A 59 21.808 15.892 -16.961 1.00 0.00 N ATOM 964 CA SER A 59 23.112 16.348 -16.529 1.00 0.00 C ATOM 965 C SER A 59 23.500 17.680 -17.200 1.00 0.00 C ATOM 966 O SER A 59 23.968 18.601 -16.532 1.00 0.00 O ATOM 967 CB SER A 59 24.174 15.268 -16.792 1.00 0.00 C ATOM 968 OG SER A 59 25.431 15.646 -16.254 1.00 0.00 O ATOM 0 H SER A 59 21.815 14.998 -17.453 1.00 0.00 H new ATOM 0 HA SER A 59 23.063 16.530 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.855 14.324 -16.350 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.269 15.101 -17.865 1.00 0.00 H new ATOM 0 HG SER A 59 26.089 14.942 -16.433 1.00 0.00 H new ATOM 974 N GLN A 60 23.276 17.784 -18.515 1.00 0.00 N ATOM 975 CA GLN A 60 23.633 18.969 -19.267 1.00 0.00 C ATOM 976 C GLN A 60 22.819 20.167 -18.844 1.00 0.00 C ATOM 977 O GLN A 60 23.374 21.250 -18.576 1.00 0.00 O ATOM 978 CB GLN A 60 23.430 18.711 -20.730 1.00 0.00 C ATOM 979 CG GLN A 60 24.326 17.635 -21.292 1.00 0.00 C ATOM 980 CD GLN A 60 24.119 17.425 -22.779 1.00 0.00 C ATOM 981 OE1 GLN A 60 23.805 18.365 -23.514 1.00 0.00 O ATOM 982 NE2 GLN A 60 24.296 16.200 -23.233 1.00 0.00 N ATOM 0 H GLN A 60 22.845 17.049 -19.075 1.00 0.00 H new ATOM 0 HA GLN A 60 24.681 19.192 -19.067 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.391 18.429 -20.898 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.602 19.637 -21.279 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.367 17.900 -21.107 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.138 16.699 -20.766 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.555 15.451 -22.591 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.174 16.001 -24.226 1.00 0.00 H new ATOM 991 N ALA A 61 21.514 19.986 -18.783 1.00 0.00 N ATOM 992 CA ALA A 61 20.625 21.058 -18.367 1.00 0.00 C ATOM 993 C ALA A 61 20.950 21.468 -16.947 1.00 0.00 C ATOM 994 O ALA A 61 20.957 22.639 -16.626 1.00 0.00 O ATOM 995 CB ALA A 61 19.173 20.635 -18.506 1.00 0.00 C ATOM 0 H ALA A 61 21.045 19.110 -19.015 1.00 0.00 H new ATOM 0 HA ALA A 61 20.775 21.921 -19.016 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.524 21.452 -18.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.964 20.388 -19.547 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.987 19.761 -17.882 1.00 0.00 H new ATOM 1001 N TYR A 62 21.260 20.490 -16.110 1.00 0.00 N ATOM 1002 CA TYR A 62 21.663 20.757 -14.748 1.00 0.00 C ATOM 1003 C TYR A 62 22.910 21.641 -14.704 1.00 0.00 C ATOM 1004 O TYR A 62 22.991 22.554 -13.883 1.00 0.00 O ATOM 1005 CB TYR A 62 21.911 19.457 -13.984 1.00 0.00 C ATOM 1006 CG TYR A 62 22.448 19.671 -12.590 1.00 0.00 C ATOM 1007 CD1 TYR A 62 21.743 20.426 -11.663 1.00 0.00 C ATOM 1008 CD2 TYR A 62 23.659 19.115 -12.198 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.229 20.621 -10.390 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.150 19.306 -10.923 1.00 0.00 C ATOM 1011 CZ TYR A 62 23.433 20.058 -10.023 1.00 0.00 C ATOM 1012 OH TYR A 62 23.914 20.248 -8.749 1.00 0.00 O ATOM 0 H TYR A 62 21.238 19.501 -16.357 1.00 0.00 H new ATOM 0 HA TYR A 62 20.846 21.292 -14.264 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.978 18.897 -13.923 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.615 18.843 -14.546 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.798 20.867 -11.945 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.225 18.524 -12.903 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.669 21.213 -9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.093 18.867 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 62 24.772 19.785 -8.651 1.00 0.00 H new ATOM 1022 N GLU A 63 23.879 21.367 -15.590 1.00 0.00 N ATOM 1023 CA GLU A 63 25.124 22.142 -15.636 1.00 0.00 C ATOM 1024 C GLU A 63 24.840 23.627 -15.751 1.00 0.00 C ATOM 1025 O GLU A 63 25.383 24.433 -14.999 1.00 0.00 O ATOM 1026 CB GLU A 63 26.017 21.695 -16.803 1.00 0.00 C ATOM 1027 CG GLU A 63 26.561 20.280 -16.680 1.00 0.00 C ATOM 1028 CD GLU A 63 27.412 19.887 -17.870 1.00 0.00 C ATOM 1029 OE1 GLU A 63 26.845 19.407 -18.881 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.645 20.068 -17.810 1.00 0.00 O ATOM 0 H GLU A 63 23.824 20.618 -16.280 1.00 0.00 H new ATOM 0 HA GLU A 63 25.652 21.956 -14.701 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.447 21.772 -17.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 26.856 22.386 -16.887 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.154 20.199 -15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 63 25.730 19.581 -16.583 1.00 0.00 H new ATOM 1037 N VAL A 64 23.993 23.976 -16.678 1.00 0.00 N ATOM 1038 CA VAL A 64 23.615 25.357 -16.879 1.00 0.00 C ATOM 1039 C VAL A 64 22.577 25.848 -15.826 1.00 0.00 C ATOM 1040 O VAL A 64 22.661 26.970 -15.366 1.00 0.00 O ATOM 1041 CB VAL A 64 23.146 25.586 -18.349 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.661 24.287 -18.972 1.00 0.00 C ATOM 1043 CG2 VAL A 64 22.066 26.633 -18.425 1.00 0.00 C ATOM 0 H VAL A 64 23.544 23.319 -17.316 1.00 0.00 H new ATOM 0 HA VAL A 64 24.499 25.975 -16.719 1.00 0.00 H new ATOM 0 HB VAL A 64 24.007 25.944 -18.913 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.339 24.473 -19.997 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.472 23.559 -18.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.823 23.897 -18.394 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.762 26.768 -19.463 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.207 26.314 -17.834 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.446 27.576 -18.033 1.00 0.00 H new ATOM 1053 N LEU A 65 21.636 24.994 -15.440 1.00 0.00 N ATOM 1054 CA LEU A 65 20.608 25.354 -14.443 1.00 0.00 C ATOM 1055 C LEU A 65 21.217 25.658 -13.073 1.00 0.00 C ATOM 1056 O LEU A 65 20.843 26.629 -12.431 1.00 0.00 O ATOM 1057 CB LEU A 65 19.505 24.275 -14.360 1.00 0.00 C ATOM 1058 CG LEU A 65 18.295 24.456 -15.327 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.734 24.759 -16.758 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.405 23.216 -15.311 1.00 0.00 C ATOM 0 H LEU A 65 21.555 24.042 -15.798 1.00 0.00 H new ATOM 0 HA LEU A 65 20.136 26.276 -14.783 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.959 23.304 -14.557 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.127 24.249 -13.338 1.00 0.00 H new ATOM 0 HG LEU A 65 17.730 25.315 -14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.855 24.876 -17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.317 25.680 -16.772 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.344 23.937 -17.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.566 23.361 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.984 22.349 -15.628 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.028 23.051 -14.301 1.00 0.00 H new ATOM 1072 N SER A 66 22.186 24.847 -12.653 1.00 0.00 N ATOM 1073 CA SER A 66 22.845 25.043 -11.360 1.00 0.00 C ATOM 1074 C SER A 66 23.855 26.185 -11.410 1.00 0.00 C ATOM 1075 O SER A 66 24.440 26.569 -10.383 1.00 0.00 O ATOM 1076 CB SER A 66 23.518 23.755 -10.899 1.00 0.00 C ATOM 1077 OG SER A 66 24.480 23.307 -11.842 1.00 0.00 O ATOM 0 H SER A 66 22.533 24.050 -13.186 1.00 0.00 H new ATOM 0 HA SER A 66 22.075 25.314 -10.638 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.000 23.919 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 66 22.764 22.982 -10.751 1.00 0.00 H new ATOM 0 HG SER A 66 24.023 22.896 -12.605 1.00 0.00 H new ATOM 1083 N ASP A 67 24.083 26.707 -12.595 1.00 0.00 N ATOM 1084 CA ASP A 67 24.970 27.832 -12.771 1.00 0.00 C ATOM 1085 C ASP A 67 24.161 29.038 -13.192 1.00 0.00 C ATOM 1086 O ASP A 67 23.760 29.148 -14.343 1.00 0.00 O ATOM 1087 CB ASP A 67 26.035 27.525 -13.813 1.00 0.00 C ATOM 1088 CG ASP A 67 27.121 28.570 -13.852 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.949 29.580 -14.554 1.00 0.00 O ATOM 1090 OD2 ASP A 67 28.154 28.389 -13.176 1.00 0.00 O ATOM 0 H ASP A 67 23.661 26.365 -13.458 1.00 0.00 H new ATOM 0 HA ASP A 67 25.474 28.038 -11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.478 26.552 -13.599 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.568 27.454 -14.795 1.00 0.00 H new ATOM 1095 N ALA A 68 23.920 29.940 -12.253 1.00 0.00 N ATOM 1096 CA ALA A 68 23.094 31.117 -12.502 1.00 0.00 C ATOM 1097 C ALA A 68 23.568 31.914 -13.707 1.00 0.00 C ATOM 1098 O ALA A 68 22.761 32.525 -14.401 1.00 0.00 O ATOM 1099 CB ALA A 68 23.038 32.000 -11.268 1.00 0.00 C ATOM 0 H ALA A 68 24.287 29.880 -11.303 1.00 0.00 H new ATOM 0 HA ALA A 68 22.090 30.760 -12.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.418 32.873 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.611 31.438 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.045 32.324 -11.007 1.00 0.00 H new ATOM 1105 N LYS A 69 24.868 31.909 -13.958 1.00 0.00 N ATOM 1106 CA LYS A 69 25.414 32.659 -15.064 1.00 0.00 C ATOM 1107 C LYS A 69 25.023 32.013 -16.390 1.00 0.00 C ATOM 1108 O LYS A 69 24.459 32.671 -17.264 1.00 0.00 O ATOM 1109 CB LYS A 69 26.933 32.757 -14.949 1.00 0.00 C ATOM 1110 CG LYS A 69 27.565 33.644 -16.001 1.00 0.00 C ATOM 1111 CD LYS A 69 29.067 33.727 -15.834 1.00 0.00 C ATOM 1112 CE LYS A 69 29.682 34.627 -16.883 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.203 36.028 -16.753 1.00 0.00 N ATOM 0 H LYS A 69 25.557 31.394 -13.410 1.00 0.00 H new ATOM 0 HA LYS A 69 25.000 33.667 -15.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 27.190 33.139 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 69 27.360 31.757 -15.025 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.330 33.257 -16.992 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.136 34.644 -15.939 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.305 34.106 -14.840 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.500 32.729 -15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 69 30.768 34.604 -16.792 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.437 34.249 -17.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 29.819 36.658 -17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 28.229 36.096 -17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 29.226 36.311 -15.753 1.00 0.00 H new ATOM 1127 N LYS A 70 25.291 30.713 -16.517 1.00 0.00 N ATOM 1128 CA LYS A 70 24.982 29.976 -17.729 1.00 0.00 C ATOM 1129 C LYS A 70 23.476 29.917 -17.946 1.00 0.00 C ATOM 1130 O LYS A 70 22.988 30.031 -19.075 1.00 0.00 O ATOM 1131 CB LYS A 70 25.583 28.581 -17.649 1.00 0.00 C ATOM 1132 CG LYS A 70 27.107 28.602 -17.588 1.00 0.00 C ATOM 1133 CD LYS A 70 27.696 27.231 -17.323 1.00 0.00 C ATOM 1134 CE LYS A 70 27.457 26.272 -18.465 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.112 24.973 -18.213 1.00 0.00 N ATOM 0 H LYS A 70 25.725 30.151 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 70 25.420 30.491 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.195 28.072 -16.767 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.266 28.002 -18.516 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.500 28.987 -18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.427 29.289 -16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.768 27.326 -17.150 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.261 26.822 -16.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.386 26.123 -18.601 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.839 26.702 -19.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.932 24.333 -19.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.137 25.116 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.729 24.554 -17.341 1.00 0.00 H new ATOM 1149 N ARG A 71 22.747 29.745 -16.844 1.00 0.00 N ATOM 1150 CA ARG A 71 21.291 29.701 -16.860 1.00 0.00 C ATOM 1151 C ARG A 71 20.722 30.974 -17.455 1.00 0.00 C ATOM 1152 O ARG A 71 19.807 30.932 -18.278 1.00 0.00 O ATOM 1153 CB ARG A 71 20.756 29.524 -15.429 1.00 0.00 C ATOM 1154 CG ARG A 71 19.244 29.419 -15.344 1.00 0.00 C ATOM 1155 CD ARG A 71 18.771 29.277 -13.901 1.00 0.00 C ATOM 1156 NE ARG A 71 17.310 29.271 -13.814 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.599 29.728 -12.778 1.00 0.00 C ATOM 1158 NH1 ARG A 71 17.207 30.213 -11.695 1.00 0.00 N ATOM 1159 NH2 ARG A 71 15.273 29.707 -12.832 1.00 0.00 N ATOM 0 H ARG A 71 23.153 29.632 -15.915 1.00 0.00 H new ATOM 0 HA ARG A 71 20.982 28.856 -17.475 1.00 0.00 H new ATOM 0 HB2 ARG A 71 21.197 28.627 -14.995 1.00 0.00 H new ATOM 0 HB3 ARG A 71 21.086 30.367 -14.822 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.792 30.305 -15.790 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.905 28.561 -15.925 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.166 28.354 -13.477 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.169 30.098 -13.304 1.00 0.00 H new ATOM 0 HE ARG A 71 16.794 28.888 -14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.226 30.238 -11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.653 30.559 -10.911 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.802 29.344 -13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.725 30.054 -12.045 1.00 0.00 H new ATOM 1173 N GLU A 72 21.294 32.100 -17.061 1.00 0.00 N ATOM 1174 CA GLU A 72 20.807 33.381 -17.465 1.00 0.00 C ATOM 1175 C GLU A 72 21.061 33.619 -18.935 1.00 0.00 C ATOM 1176 O GLU A 72 20.196 34.127 -19.650 1.00 0.00 O ATOM 1177 CB GLU A 72 21.445 34.469 -16.619 1.00 0.00 C ATOM 1178 CG GLU A 72 20.996 35.850 -16.993 1.00 0.00 C ATOM 1179 CD GLU A 72 21.516 36.914 -16.059 1.00 0.00 C ATOM 1180 OE1 GLU A 72 22.695 37.306 -16.183 1.00 0.00 O ATOM 1181 OE2 GLU A 72 20.748 37.366 -15.189 1.00 0.00 O ATOM 0 H GLU A 72 22.110 32.137 -16.451 1.00 0.00 H new ATOM 0 HA GLU A 72 19.728 33.407 -17.310 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.209 34.289 -15.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.529 34.408 -16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.328 36.071 -18.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.906 35.882 -17.000 1.00 0.00 H new ATOM 1188 N LEU A 73 22.236 33.229 -19.395 1.00 0.00 N ATOM 1189 CA LEU A 73 22.589 33.415 -20.767 1.00 0.00 C ATOM 1190 C LEU A 73 21.686 32.572 -21.645 1.00 0.00 C ATOM 1191 O LEU A 73 21.202 33.032 -22.688 1.00 0.00 O ATOM 1192 CB LEU A 73 24.045 33.026 -20.982 1.00 0.00 C ATOM 1193 CG LEU A 73 25.049 33.643 -20.005 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.467 33.344 -20.429 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.819 35.137 -19.842 1.00 0.00 C ATOM 0 H LEU A 73 22.955 32.781 -18.827 1.00 0.00 H new ATOM 0 HA LEU A 73 22.463 34.464 -21.034 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.125 31.941 -20.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.331 33.308 -21.995 1.00 0.00 H new ATOM 0 HG LEU A 73 24.890 33.184 -19.029 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.161 33.793 -19.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.620 32.265 -20.453 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.645 33.758 -21.422 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.549 35.543 -19.142 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.930 35.630 -20.808 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.813 35.311 -19.459 1.00 0.00 H new ATOM 1207 N TYR A 74 21.453 31.339 -21.212 1.00 0.00 N ATOM 1208 CA TYR A 74 20.595 30.419 -21.929 1.00 0.00 C ATOM 1209 C TYR A 74 19.144 30.899 -21.987 1.00 0.00 C ATOM 1210 O TYR A 74 18.514 30.860 -23.046 1.00 0.00 O ATOM 1211 CB TYR A 74 20.696 29.012 -21.335 1.00 0.00 C ATOM 1212 CG TYR A 74 21.112 27.968 -22.343 1.00 0.00 C ATOM 1213 CD1 TYR A 74 22.456 27.697 -22.578 1.00 0.00 C ATOM 1214 CD2 TYR A 74 20.161 27.264 -23.072 1.00 0.00 C ATOM 1215 CE1 TYR A 74 22.839 26.753 -23.513 1.00 0.00 C ATOM 1216 CE2 TYR A 74 20.535 26.320 -24.002 1.00 0.00 C ATOM 1217 CZ TYR A 74 21.875 26.068 -24.222 1.00 0.00 C ATOM 1218 OH TYR A 74 22.247 25.126 -25.158 1.00 0.00 O ATOM 0 H TYR A 74 21.854 30.955 -20.357 1.00 0.00 H new ATOM 0 HA TYR A 74 20.949 30.382 -22.959 1.00 0.00 H new ATOM 0 HB2 TYR A 74 21.414 29.022 -20.515 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.731 28.734 -20.911 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.212 28.232 -22.022 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.112 27.460 -22.906 1.00 0.00 H new ATOM 0 HE1 TYR A 74 23.886 26.554 -23.687 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.783 25.779 -24.557 1.00 0.00 H new ATOM 0 HH TYR A 74 21.446 24.736 -25.566 1.00 0.00 H new ATOM 1228 N ASP A 75 18.616 31.347 -20.853 1.00 0.00 N ATOM 1229 CA ASP A 75 17.245 31.850 -20.800 1.00 0.00 C ATOM 1230 C ASP A 75 17.086 33.102 -21.643 1.00 0.00 C ATOM 1231 O ASP A 75 16.036 33.327 -22.253 1.00 0.00 O ATOM 1232 CB ASP A 75 16.779 32.097 -19.362 1.00 0.00 C ATOM 1233 CG ASP A 75 16.237 30.840 -18.695 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.349 30.191 -19.288 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.684 30.506 -17.582 1.00 0.00 O ATOM 0 H ASP A 75 19.112 31.373 -19.962 1.00 0.00 H new ATOM 0 HA ASP A 75 16.605 31.074 -21.220 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.613 32.484 -18.776 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.006 32.865 -19.362 1.00 0.00 H new ATOM 1240 N LYS A 76 18.137 33.925 -21.669 1.00 0.00 N ATOM 1241 CA LYS A 76 18.134 35.158 -22.462 1.00 0.00 C ATOM 1242 C LYS A 76 18.052 34.849 -23.950 1.00 0.00 C ATOM 1243 O LYS A 76 17.280 35.463 -24.686 1.00 0.00 O ATOM 1244 CB LYS A 76 19.378 36.002 -22.164 1.00 0.00 C ATOM 1245 CG LYS A 76 19.457 37.294 -22.969 1.00 0.00 C ATOM 1246 CD LYS A 76 20.711 38.077 -22.631 1.00 0.00 C ATOM 1247 CE LYS A 76 20.807 39.368 -23.438 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.036 40.143 -23.103 1.00 0.00 N ATOM 0 H LYS A 76 19.000 33.761 -21.151 1.00 0.00 H new ATOM 0 HA LYS A 76 17.251 35.731 -22.180 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.393 36.246 -21.102 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.267 35.405 -22.366 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.446 37.063 -24.034 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.578 37.906 -22.766 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.717 38.312 -21.567 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.588 37.460 -22.826 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.806 39.132 -24.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.927 39.982 -23.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.064 41.013 -23.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.026 40.391 -22.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.877 39.567 -23.310 1.00 0.00 H new ATOM 1262 N GLY A 77 18.841 33.897 -24.379 1.00 0.00 N ATOM 1263 CA GLY A 77 18.855 33.518 -25.764 1.00 0.00 C ATOM 1264 C GLY A 77 20.227 33.661 -26.368 1.00 0.00 C ATOM 1265 O GLY A 77 20.984 34.553 -25.930 1.00 0.00 O ATOM 1266 OXT GLY A 77 20.570 32.870 -27.272 1.00 0.00 O ATOM 0 H GLY A 77 19.482 33.371 -23.786 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.520 32.485 -25.862 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.148 34.136 -26.317 1.00 0.00 H new TER 1270 GLY A 77