USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -47:sc= 0.505 USER MOD Single : A 5 SER OG : rot -58:sc= 0.175 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.081) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 177:sc= -1.86 (180deg=-1.94) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3!) USER MOD Single : A 26 SER OG : rot 41:sc= 0.387 USER MOD Single : A 38 GLN : amide:sc= 0.0617 X(o=0.062,f=-0.02) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc=-0.00646 (180deg=-0.126) USER MOD Single : A 49 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.3!) USER MOD Single : A 53 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-9.1!) USER MOD Single : A 59 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-4.8!) USER MOD Single : A 60 ASN : amide:sc= -2.13! X(o=-2.1!,f=-1.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 15:sc= 0.168 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.510 -6.570 5.546 1.00 0.00 N ATOM 2 CA GLY A 1 -18.527 -5.628 5.117 1.00 0.00 C ATOM 3 C GLY A 1 -18.690 -5.598 3.610 1.00 0.00 C ATOM 4 O GLY A 1 -18.487 -4.562 2.977 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.437 -6.553 6.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.769 -7.527 5.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.594 -6.306 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.479 -5.891 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.267 -4.631 5.471 1.00 0.00 H new ATOM 8 N SER A 2 -19.058 -6.738 3.034 1.00 0.00 N ATOM 9 CA SER A 2 -19.243 -6.840 1.591 1.00 0.00 C ATOM 10 C SER A 2 -20.647 -6.400 1.191 1.00 0.00 C ATOM 11 O SER A 2 -20.818 -5.531 0.335 1.00 0.00 O ATOM 12 CB SER A 2 -18.993 -8.275 1.123 1.00 0.00 C ATOM 13 OG SER A 2 -17.648 -8.659 1.350 1.00 0.00 O ATOM 0 H SER A 2 -19.234 -7.604 3.544 1.00 0.00 H new ATOM 0 HA SER A 2 -18.523 -6.178 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.662 -8.955 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.224 -8.360 0.061 1.00 0.00 H new ATOM 0 HG SER A 2 -17.515 -9.580 1.044 1.00 0.00 H new ATOM 19 N SER A 3 -21.651 -7.006 1.816 1.00 0.00 N ATOM 20 CA SER A 3 -23.042 -6.680 1.524 1.00 0.00 C ATOM 21 C SER A 3 -23.266 -6.554 0.020 1.00 0.00 C ATOM 22 O SER A 3 -23.956 -5.647 -0.442 1.00 0.00 O ATOM 23 CB SER A 3 -23.441 -5.378 2.221 1.00 0.00 C ATOM 24 OG SER A 3 -24.829 -5.130 2.083 1.00 0.00 O ATOM 0 H SER A 3 -21.527 -7.726 2.528 1.00 0.00 H new ATOM 0 HA SER A 3 -23.666 -7.491 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.182 -5.434 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.876 -4.547 1.798 1.00 0.00 H new ATOM 0 HG SER A 3 -25.093 -5.257 1.148 1.00 0.00 H new ATOM 30 N GLY A 4 -22.676 -7.473 -0.739 1.00 0.00 N ATOM 31 CA GLY A 4 -22.822 -7.448 -2.183 1.00 0.00 C ATOM 32 C GLY A 4 -22.642 -6.057 -2.759 1.00 0.00 C ATOM 33 O GLY A 4 -23.597 -5.452 -3.247 1.00 0.00 O ATOM 0 H GLY A 4 -22.100 -8.234 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.091 -8.121 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.809 -7.825 -2.452 1.00 0.00 H new ATOM 37 N SER A 5 -21.415 -5.549 -2.703 1.00 0.00 N ATOM 38 CA SER A 5 -21.114 -4.219 -3.219 1.00 0.00 C ATOM 39 C SER A 5 -19.614 -3.947 -3.178 1.00 0.00 C ATOM 40 O SER A 5 -18.852 -4.699 -2.570 1.00 0.00 O ATOM 41 CB SER A 5 -21.859 -3.155 -2.410 1.00 0.00 C ATOM 42 OG SER A 5 -21.150 -2.822 -1.229 1.00 0.00 O ATOM 0 H SER A 5 -20.613 -6.038 -2.305 1.00 0.00 H new ATOM 0 HA SER A 5 -21.445 -4.175 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.997 -2.262 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.852 -3.521 -2.150 1.00 0.00 H new ATOM 0 HG SER A 5 -21.013 -3.630 -0.691 1.00 0.00 H new ATOM 48 N SER A 6 -19.197 -2.866 -3.829 1.00 0.00 N ATOM 49 CA SER A 6 -17.787 -2.495 -3.872 1.00 0.00 C ATOM 50 C SER A 6 -17.487 -1.383 -2.871 1.00 0.00 C ATOM 51 O SER A 6 -17.892 -0.236 -3.061 1.00 0.00 O ATOM 52 CB SER A 6 -17.398 -2.047 -5.282 1.00 0.00 C ATOM 53 OG SER A 6 -17.286 -3.156 -6.157 1.00 0.00 O ATOM 0 H SER A 6 -19.815 -2.231 -4.334 1.00 0.00 H new ATOM 0 HA SER A 6 -17.198 -3.371 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.145 -1.352 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.450 -1.510 -5.248 1.00 0.00 H new ATOM 0 HG SER A 6 -17.038 -2.843 -7.052 1.00 0.00 H new ATOM 59 N GLY A 7 -16.775 -1.731 -1.804 1.00 0.00 N ATOM 60 CA GLY A 7 -16.433 -0.752 -0.789 1.00 0.00 C ATOM 61 C GLY A 7 -14.965 -0.793 -0.415 1.00 0.00 C ATOM 62 O GLY A 7 -14.317 -1.834 -0.528 1.00 0.00 O ATOM 0 H GLY A 7 -16.429 -2.673 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.685 0.245 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.037 -0.930 0.101 1.00 0.00 H new ATOM 66 N CYS A 8 -14.437 0.342 0.031 1.00 0.00 N ATOM 67 CA CYS A 8 -13.036 0.433 0.421 1.00 0.00 C ATOM 68 C CYS A 8 -12.727 -0.523 1.569 1.00 0.00 C ATOM 69 O CYS A 8 -13.550 -0.723 2.463 1.00 0.00 O ATOM 70 CB CYS A 8 -12.690 1.867 0.829 1.00 0.00 C ATOM 71 SG CYS A 8 -11.118 2.023 1.736 1.00 0.00 S ATOM 0 H CYS A 8 -14.960 1.212 0.131 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.427 0.150 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.644 2.487 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.495 2.262 1.449 1.00 0.00 H new ATOM 76 N HIS A 9 -11.535 -1.111 1.538 1.00 0.00 N ATOM 77 CA HIS A 9 -11.117 -2.046 2.576 1.00 0.00 C ATOM 78 C HIS A 9 -10.364 -1.322 3.688 1.00 0.00 C ATOM 79 O HIS A 9 -10.494 -1.664 4.863 1.00 0.00 O ATOM 80 CB HIS A 9 -10.236 -3.144 1.979 1.00 0.00 C ATOM 81 CG HIS A 9 -9.970 -4.277 2.921 1.00 0.00 C ATOM 82 ND1 HIS A 9 -10.953 -4.863 3.691 1.00 0.00 N ATOM 83 CD2 HIS A 9 -8.823 -4.935 3.214 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.422 -5.830 4.417 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.131 -5.894 4.147 1.00 0.00 N ATOM 0 H HIS A 9 -10.842 -0.956 0.806 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.011 -2.500 3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.715 -3.534 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.286 -2.708 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.848 -4.741 2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.954 -6.461 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.470 -6.549 4.564 1.00 0.00 H new ATOM 94 N GLN A 10 -9.577 -0.321 3.308 1.00 0.00 N ATOM 95 CA GLN A 10 -8.802 0.450 4.274 1.00 0.00 C ATOM 96 C GLN A 10 -9.683 0.920 5.427 1.00 0.00 C ATOM 97 O GLN A 10 -9.545 0.453 6.558 1.00 0.00 O ATOM 98 CB GLN A 10 -8.150 1.653 3.592 1.00 0.00 C ATOM 99 CG GLN A 10 -7.332 2.519 4.537 1.00 0.00 C ATOM 100 CD GLN A 10 -5.969 1.928 4.837 1.00 0.00 C ATOM 101 OE1 GLN A 10 -4.999 2.178 4.121 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.887 1.139 5.902 1.00 0.00 N ATOM 0 H GLN A 10 -9.459 -0.025 2.339 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.023 -0.197 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.505 1.299 2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.927 2.265 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.206 3.509 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.880 2.650 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.716 0.958 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.995 0.714 6.154 1.00 0.00 H new ATOM 111 N CYS A 11 -10.588 1.847 5.133 1.00 0.00 N ATOM 112 CA CYS A 11 -11.492 2.382 6.145 1.00 0.00 C ATOM 113 C CYS A 11 -12.784 1.573 6.203 1.00 0.00 C ATOM 114 O CYS A 11 -13.250 1.204 7.280 1.00 0.00 O ATOM 115 CB CYS A 11 -11.809 3.850 5.851 1.00 0.00 C ATOM 116 SG CYS A 11 -12.681 4.120 4.275 1.00 0.00 S ATOM 0 H CYS A 11 -10.715 2.244 4.202 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.996 2.311 7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.416 4.249 6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.878 4.417 5.841 1.00 0.00 H new ATOM 121 N GLY A 12 -13.358 1.300 5.035 1.00 0.00 N ATOM 122 CA GLY A 12 -14.590 0.536 4.975 1.00 0.00 C ATOM 123 C GLY A 12 -15.698 1.278 4.253 1.00 0.00 C ATOM 124 O GLY A 12 -16.512 0.670 3.560 1.00 0.00 O ATOM 0 H GLY A 12 -12.992 1.594 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.402 -0.411 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.916 0.298 5.988 1.00 0.00 H new ATOM 128 N GLU A 13 -15.729 2.597 4.418 1.00 0.00 N ATOM 129 CA GLU A 13 -16.747 3.422 3.778 1.00 0.00 C ATOM 130 C GLU A 13 -16.871 3.082 2.296 1.00 0.00 C ATOM 131 O GLU A 13 -15.909 2.640 1.667 1.00 0.00 O ATOM 132 CB GLU A 13 -16.412 4.906 3.946 1.00 0.00 C ATOM 133 CG GLU A 13 -16.224 5.327 5.394 1.00 0.00 C ATOM 134 CD GLU A 13 -17.538 5.629 6.089 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.028 6.771 5.960 1.00 0.00 O ATOM 136 OE2 GLU A 13 -18.075 4.725 6.763 1.00 0.00 O ATOM 0 H GLU A 13 -15.062 3.116 4.989 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.702 3.215 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.501 5.130 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.210 5.502 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.705 4.535 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.586 6.210 5.432 1.00 0.00 H new ATOM 143 N PHE A 14 -18.061 3.292 1.744 1.00 0.00 N ATOM 144 CA PHE A 14 -18.312 3.007 0.336 1.00 0.00 C ATOM 145 C PHE A 14 -17.640 4.045 -0.557 1.00 0.00 C ATOM 146 O PHE A 14 -17.640 5.237 -0.250 1.00 0.00 O ATOM 147 CB PHE A 14 -19.817 2.978 0.061 1.00 0.00 C ATOM 148 CG PHE A 14 -20.177 2.304 -1.233 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.118 0.924 -1.350 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.574 3.049 -2.331 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.447 0.302 -2.539 1.00 0.00 C ATOM 152 CE2 PHE A 14 -20.905 2.432 -3.523 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.842 1.056 -3.626 1.00 0.00 C ATOM 0 H PHE A 14 -18.867 3.659 2.250 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.889 2.029 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.318 2.464 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.195 4.000 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.812 0.329 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.626 4.125 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.395 -0.774 -2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.212 3.025 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.101 0.571 -4.555 1.00 0.00 H new ATOM 163 N ILE A 15 -17.068 3.582 -1.664 1.00 0.00 N ATOM 164 CA ILE A 15 -16.393 4.470 -2.602 1.00 0.00 C ATOM 165 C ILE A 15 -17.367 5.019 -3.638 1.00 0.00 C ATOM 166 O ILE A 15 -18.120 4.266 -4.257 1.00 0.00 O ATOM 167 CB ILE A 15 -15.241 3.750 -3.328 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.403 2.947 -2.331 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.371 4.756 -4.069 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.630 1.813 -2.967 1.00 0.00 C ATOM 0 H ILE A 15 -17.059 2.598 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 15 -15.985 5.295 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.666 3.059 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.704 3.618 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.059 2.542 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.561 4.232 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.976 5.289 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.952 5.468 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.059 1.288 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.325 1.120 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.948 2.213 -3.717 1.00 0.00 H new ATOM 182 N ILE A 16 -17.347 6.334 -3.824 1.00 0.00 N ATOM 183 CA ILE A 16 -18.227 6.984 -4.787 1.00 0.00 C ATOM 184 C ILE A 16 -17.445 7.923 -5.700 1.00 0.00 C ATOM 185 O ILE A 16 -16.873 8.913 -5.246 1.00 0.00 O ATOM 186 CB ILE A 16 -19.342 7.779 -4.084 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.010 6.921 -3.008 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.369 8.262 -5.098 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.008 7.681 -2.162 1.00 0.00 C ATOM 0 H ILE A 16 -16.730 6.971 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.679 6.193 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.898 8.650 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.516 6.082 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.241 6.502 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.151 8.822 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.882 8.906 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.811 7.404 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.442 7.010 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.504 8.504 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.798 8.077 -2.800 1.00 0.00 H new ATOM 201 N GLY A 17 -17.427 7.605 -6.991 1.00 0.00 N ATOM 202 CA GLY A 17 -16.714 8.432 -7.948 1.00 0.00 C ATOM 203 C GLY A 17 -15.472 7.752 -8.489 1.00 0.00 C ATOM 204 O GLY A 17 -15.456 7.291 -9.630 1.00 0.00 O ATOM 0 H GLY A 17 -17.893 6.791 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.379 8.680 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.432 9.372 -7.473 1.00 0.00 H new ATOM 208 N ARG A 18 -14.428 7.692 -7.668 1.00 0.00 N ATOM 209 CA ARG A 18 -13.175 7.066 -8.072 1.00 0.00 C ATOM 210 C ARG A 18 -12.870 5.848 -7.205 1.00 0.00 C ATOM 211 O ARG A 18 -12.746 5.957 -5.985 1.00 0.00 O ATOM 212 CB ARG A 18 -12.025 8.072 -7.979 1.00 0.00 C ATOM 213 CG ARG A 18 -10.649 7.426 -7.986 1.00 0.00 C ATOM 214 CD ARG A 18 -9.605 8.346 -8.599 1.00 0.00 C ATOM 215 NE ARG A 18 -8.534 7.600 -9.253 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.764 8.106 -10.210 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.945 9.354 -10.620 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.810 7.364 -10.757 1.00 0.00 N ATOM 0 H ARG A 18 -14.425 8.069 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.280 6.737 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.094 8.769 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.138 8.657 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.359 7.174 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.687 6.492 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.083 9.004 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.181 8.982 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.368 6.638 -8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.677 9.928 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.353 9.740 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.667 6.404 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.219 7.753 -11.492 1.00 0.00 H new ATOM 232 N VAL A 19 -12.752 4.688 -7.843 1.00 0.00 N ATOM 233 CA VAL A 19 -12.462 3.450 -7.130 1.00 0.00 C ATOM 234 C VAL A 19 -11.084 2.913 -7.499 1.00 0.00 C ATOM 235 O VAL A 19 -10.819 2.599 -8.660 1.00 0.00 O ATOM 236 CB VAL A 19 -13.518 2.370 -7.429 1.00 0.00 C ATOM 237 CG1 VAL A 19 -12.971 0.986 -7.114 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.793 2.639 -6.643 1.00 0.00 C ATOM 0 H VAL A 19 -12.853 4.580 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.484 3.685 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.758 2.407 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.731 0.236 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.089 0.796 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.700 0.933 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.528 1.866 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.571 2.631 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.194 3.613 -6.923 1.00 0.00 H new ATOM 248 N ILE A 20 -10.209 2.810 -6.504 1.00 0.00 N ATOM 249 CA ILE A 20 -8.858 2.310 -6.724 1.00 0.00 C ATOM 250 C ILE A 20 -8.792 0.799 -6.527 1.00 0.00 C ATOM 251 O ILE A 20 -8.774 0.309 -5.397 1.00 0.00 O ATOM 252 CB ILE A 20 -7.847 2.984 -5.778 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.098 4.492 -5.719 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.423 2.696 -6.232 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.903 5.190 -7.048 1.00 0.00 C ATOM 0 H ILE A 20 -10.412 3.066 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.596 2.552 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.979 2.573 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.115 4.669 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.427 4.935 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.720 3.179 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.250 1.620 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.277 3.083 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.098 6.256 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.878 5.044 -7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.593 4.774 -7.782 1.00 0.00 H new ATOM 267 N LYS A 21 -8.755 0.064 -7.633 1.00 0.00 N ATOM 268 CA LYS A 21 -8.687 -1.391 -7.584 1.00 0.00 C ATOM 269 C LYS A 21 -7.266 -1.861 -7.292 1.00 0.00 C ATOM 270 O LYS A 21 -6.352 -1.633 -8.085 1.00 0.00 O ATOM 271 CB LYS A 21 -9.172 -1.990 -8.906 1.00 0.00 C ATOM 272 CG LYS A 21 -10.676 -1.902 -9.098 1.00 0.00 C ATOM 273 CD LYS A 21 -11.380 -3.139 -8.566 1.00 0.00 C ATOM 274 CE LYS A 21 -11.844 -2.942 -7.131 1.00 0.00 C ATOM 275 NZ LYS A 21 -12.614 -4.114 -6.630 1.00 0.00 N ATOM 0 H LYS A 21 -8.771 0.453 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.336 -1.732 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.678 -1.476 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.869 -3.036 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.058 -1.018 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.902 -1.781 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.237 -3.371 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.705 -3.993 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.979 -2.775 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.464 -2.047 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.912 -3.940 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.454 -4.258 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.015 -4.963 -6.664 1.00 0.00 H new ATOM 289 N ALA A 22 -7.087 -2.518 -6.151 1.00 0.00 N ATOM 290 CA ALA A 22 -5.777 -3.022 -5.757 1.00 0.00 C ATOM 291 C ALA A 22 -5.908 -4.210 -4.810 1.00 0.00 C ATOM 292 O ALA A 22 -6.989 -4.484 -4.290 1.00 0.00 O ATOM 293 CB ALA A 22 -4.959 -1.916 -5.108 1.00 0.00 C ATOM 0 H ALA A 22 -7.833 -2.714 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.261 -3.361 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.983 -2.307 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.827 -1.098 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.480 -1.550 -4.223 1.00 0.00 H new ATOM 299 N MET A 23 -4.801 -4.913 -4.593 1.00 0.00 N ATOM 300 CA MET A 23 -4.794 -6.072 -3.708 1.00 0.00 C ATOM 301 C MET A 23 -6.074 -6.886 -3.867 1.00 0.00 C ATOM 302 O MET A 23 -6.560 -7.489 -2.911 1.00 0.00 O ATOM 303 CB MET A 23 -4.635 -5.628 -2.252 1.00 0.00 C ATOM 304 CG MET A 23 -3.421 -4.745 -2.015 1.00 0.00 C ATOM 305 SD MET A 23 -2.958 -4.654 -0.275 1.00 0.00 S ATOM 306 CE MET A 23 -1.467 -5.646 -0.269 1.00 0.00 C ATOM 0 H MET A 23 -3.898 -4.701 -5.017 1.00 0.00 H new ATOM 0 HA MET A 23 -3.948 -6.702 -3.983 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.531 -5.089 -1.945 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.561 -6.511 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.579 -5.129 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.629 -3.741 -2.385 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.031 -5.641 0.730 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.710 -6.670 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.751 -5.232 -0.979 1.00 0.00 H new ATOM 316 N ASN A 24 -6.616 -6.897 -5.081 1.00 0.00 N ATOM 317 CA ASN A 24 -7.841 -7.636 -5.364 1.00 0.00 C ATOM 318 C ASN A 24 -9.005 -7.096 -4.540 1.00 0.00 C ATOM 319 O ASN A 24 -9.776 -7.859 -3.961 1.00 0.00 O ATOM 320 CB ASN A 24 -7.642 -9.125 -5.071 1.00 0.00 C ATOM 321 CG ASN A 24 -6.808 -9.817 -6.132 1.00 0.00 C ATOM 322 OD1 ASN A 24 -5.599 -9.606 -6.223 1.00 0.00 O ATOM 323 ND2 ASN A 24 -7.454 -10.648 -6.942 1.00 0.00 N ATOM 0 H ASN A 24 -6.226 -6.403 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.077 -7.508 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.159 -9.240 -4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.615 -9.612 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.947 -11.142 -7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.457 -10.792 -6.830 1.00 0.00 H new ATOM 330 N ASN A 25 -9.126 -5.773 -4.494 1.00 0.00 N ATOM 331 CA ASN A 25 -10.197 -5.129 -3.741 1.00 0.00 C ATOM 332 C ASN A 25 -10.280 -3.643 -4.076 1.00 0.00 C ATOM 333 O ASN A 25 -9.341 -3.067 -4.626 1.00 0.00 O ATOM 334 CB ASN A 25 -9.974 -5.313 -2.239 1.00 0.00 C ATOM 335 CG ASN A 25 -10.403 -6.685 -1.754 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.554 -7.085 -1.929 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.477 -7.412 -1.141 1.00 0.00 N ATOM 0 H ASN A 25 -8.496 -5.126 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.139 -5.600 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.919 -5.163 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.529 -4.549 -1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.707 -8.343 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.535 -7.040 -1.018 1.00 0.00 H new ATOM 344 N SER A 26 -11.410 -3.029 -3.740 1.00 0.00 N ATOM 345 CA SER A 26 -11.617 -1.610 -4.008 1.00 0.00 C ATOM 346 C SER A 26 -11.127 -0.760 -2.840 1.00 0.00 C ATOM 347 O SER A 26 -11.214 -1.167 -1.682 1.00 0.00 O ATOM 348 CB SER A 26 -13.098 -1.330 -4.271 1.00 0.00 C ATOM 349 OG SER A 26 -13.911 -1.884 -3.250 1.00 0.00 O ATOM 0 H SER A 26 -12.196 -3.491 -3.282 1.00 0.00 H new ATOM 0 HA SER A 26 -11.041 -1.345 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.263 -0.254 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.385 -1.748 -5.236 1.00 0.00 H new ATOM 0 HG SER A 26 -13.487 -1.738 -2.379 1.00 0.00 H new ATOM 355 N TRP A 27 -10.611 0.423 -3.154 1.00 0.00 N ATOM 356 CA TRP A 27 -10.106 1.332 -2.131 1.00 0.00 C ATOM 357 C TRP A 27 -10.283 2.785 -2.559 1.00 0.00 C ATOM 358 O TRP A 27 -10.667 3.066 -3.695 1.00 0.00 O ATOM 359 CB TRP A 27 -8.630 1.047 -1.849 1.00 0.00 C ATOM 360 CG TRP A 27 -8.309 -0.416 -1.790 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.499 -1.338 -2.779 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.743 -1.125 -0.682 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.086 -2.577 -2.353 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.617 -2.473 -1.070 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.329 -0.752 0.600 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.095 -3.446 -0.222 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.812 -1.719 1.441 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.698 -3.053 1.027 1.00 0.00 C ATOM 0 H TRP A 27 -10.531 0.775 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.681 1.168 -1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.022 1.514 -2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.352 1.511 -0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.913 -1.125 -3.753 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.123 -3.435 -2.903 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.412 0.274 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.007 -4.475 -0.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.490 -1.442 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.289 -3.785 1.707 1.00 0.00 H new ATOM 379 N HIS A 28 -10.000 3.706 -1.643 1.00 0.00 N ATOM 380 CA HIS A 28 -10.128 5.131 -1.926 1.00 0.00 C ATOM 381 C HIS A 28 -8.825 5.692 -2.489 1.00 0.00 C ATOM 382 O HIS A 28 -7.745 5.132 -2.295 1.00 0.00 O ATOM 383 CB HIS A 28 -10.519 5.892 -0.659 1.00 0.00 C ATOM 384 CG HIS A 28 -11.961 5.733 -0.287 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.373 5.177 0.906 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.090 6.063 -0.957 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.694 5.170 0.952 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.153 5.703 -0.166 1.00 0.00 N ATOM 0 H HIS A 28 -9.681 3.491 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.911 5.259 -2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.899 5.547 0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.303 6.951 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.144 6.524 -1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.296 4.793 1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.137 5.827 -0.403 1.00 0.00 H new ATOM 396 N PRO A 29 -8.926 6.823 -3.202 1.00 0.00 N ATOM 397 CA PRO A 29 -7.765 7.483 -3.807 1.00 0.00 C ATOM 398 C PRO A 29 -6.845 8.108 -2.764 1.00 0.00 C ATOM 399 O PRO A 29 -5.813 8.687 -3.102 1.00 0.00 O ATOM 400 CB PRO A 29 -8.393 8.569 -4.685 1.00 0.00 C ATOM 401 CG PRO A 29 -9.713 8.850 -4.054 1.00 0.00 C ATOM 402 CD PRO A 29 -10.180 7.544 -3.473 1.00 0.00 C ATOM 0 HA PRO A 29 -7.137 6.781 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.770 9.463 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.510 8.228 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.621 9.611 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.424 9.227 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.762 7.694 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.815 6.998 -4.171 1.00 0.00 H new ATOM 410 N GLU A 30 -7.225 7.984 -1.496 1.00 0.00 N ATOM 411 CA GLU A 30 -6.432 8.538 -0.404 1.00 0.00 C ATOM 412 C GLU A 30 -6.075 7.456 0.612 1.00 0.00 C ATOM 413 O GLU A 30 -5.042 7.530 1.276 1.00 0.00 O ATOM 414 CB GLU A 30 -7.195 9.670 0.286 1.00 0.00 C ATOM 415 CG GLU A 30 -8.436 9.204 1.028 1.00 0.00 C ATOM 416 CD GLU A 30 -9.071 10.307 1.853 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.696 10.453 3.035 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.943 11.022 1.317 1.00 0.00 O ATOM 0 H GLU A 30 -8.076 7.506 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.508 8.936 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.529 10.171 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.485 10.409 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.164 8.827 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.173 8.372 1.681 1.00 0.00 H new ATOM 425 N CYS A 31 -6.939 6.453 0.727 1.00 0.00 N ATOM 426 CA CYS A 31 -6.718 5.356 1.661 1.00 0.00 C ATOM 427 C CYS A 31 -5.540 4.493 1.218 1.00 0.00 C ATOM 428 O CYS A 31 -4.539 4.380 1.925 1.00 0.00 O ATOM 429 CB CYS A 31 -7.979 4.497 1.779 1.00 0.00 C ATOM 430 SG CYS A 31 -9.250 5.190 2.885 1.00 0.00 S ATOM 0 H CYS A 31 -7.799 6.378 0.184 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.485 5.783 2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.410 4.364 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.699 3.507 2.140 1.00 0.00 H new ATOM 435 N PHE A 32 -5.669 3.885 0.043 1.00 0.00 N ATOM 436 CA PHE A 32 -4.616 3.031 -0.495 1.00 0.00 C ATOM 437 C PHE A 32 -3.256 3.717 -0.396 1.00 0.00 C ATOM 438 O PHE A 32 -2.839 4.427 -1.311 1.00 0.00 O ATOM 439 CB PHE A 32 -4.915 2.674 -1.952 1.00 0.00 C ATOM 440 CG PHE A 32 -4.165 1.468 -2.440 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.331 0.237 -1.825 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.293 1.564 -3.512 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.641 -0.874 -2.271 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.601 0.456 -3.963 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.776 -0.765 -3.342 1.00 0.00 C ATOM 0 H PHE A 32 -6.492 3.968 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.586 2.116 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.985 2.496 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.667 3.526 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.007 0.145 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.152 2.516 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.778 -1.827 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.924 0.545 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.238 -1.633 -3.693 1.00 0.00 H new ATOM 455 N ARG A 33 -2.571 3.499 0.721 1.00 0.00 N ATOM 456 CA ARG A 33 -1.259 4.096 0.941 1.00 0.00 C ATOM 457 C ARG A 33 -0.203 3.020 1.174 1.00 0.00 C ATOM 458 O ARG A 33 -0.529 1.857 1.417 1.00 0.00 O ATOM 459 CB ARG A 33 -1.303 5.049 2.137 1.00 0.00 C ATOM 460 CG ARG A 33 -2.107 6.314 1.880 1.00 0.00 C ATOM 461 CD ARG A 33 -1.767 7.404 2.884 1.00 0.00 C ATOM 462 NE ARG A 33 -1.945 8.740 2.322 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.066 9.443 2.438 1.00 0.00 C ATOM 464 NH1 ARG A 33 -4.103 8.939 3.092 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.151 10.653 1.899 1.00 0.00 N ATOM 0 H ARG A 33 -2.902 2.914 1.488 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.989 4.657 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.730 4.525 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.284 5.325 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.909 6.673 0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.172 6.087 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.398 7.295 3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.735 7.284 3.214 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.166 9.156 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.041 8.010 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.963 9.481 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.355 11.044 1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.012 11.192 1.989 1.00 0.00 H new ATOM 479 N CYS A 34 1.064 3.414 1.097 1.00 0.00 N ATOM 480 CA CYS A 34 2.168 2.484 1.298 1.00 0.00 C ATOM 481 C CYS A 34 2.125 1.883 2.700 1.00 0.00 C ATOM 482 O CYS A 34 1.551 2.467 3.620 1.00 0.00 O ATOM 483 CB CYS A 34 3.506 3.192 1.075 1.00 0.00 C ATOM 484 SG CYS A 34 4.930 2.065 0.937 1.00 0.00 S ATOM 0 H CYS A 34 1.351 4.372 0.897 1.00 0.00 H new ATOM 0 HA CYS A 34 2.067 1.677 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.441 3.791 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.681 3.882 1.900 1.00 0.00 H new ATOM 489 N ASP A 35 2.737 0.715 2.856 1.00 0.00 N ATOM 490 CA ASP A 35 2.771 0.035 4.146 1.00 0.00 C ATOM 491 C ASP A 35 4.102 0.274 4.852 1.00 0.00 C ATOM 492 O ASP A 35 4.421 -0.389 5.840 1.00 0.00 O ATOM 493 CB ASP A 35 2.539 -1.465 3.962 1.00 0.00 C ATOM 494 CG ASP A 35 1.856 -2.097 5.159 1.00 0.00 C ATOM 495 OD1 ASP A 35 2.286 -1.824 6.299 1.00 0.00 O ATOM 496 OD2 ASP A 35 0.892 -2.864 4.956 1.00 0.00 O ATOM 0 H ASP A 35 3.217 0.219 2.105 1.00 0.00 H new ATOM 0 HA ASP A 35 1.973 0.445 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.931 -1.629 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.495 -1.959 3.790 1.00 0.00 H new ATOM 501 N LEU A 36 4.876 1.224 4.338 1.00 0.00 N ATOM 502 CA LEU A 36 6.174 1.550 4.918 1.00 0.00 C ATOM 503 C LEU A 36 6.329 3.058 5.092 1.00 0.00 C ATOM 504 O LEU A 36 6.939 3.523 6.055 1.00 0.00 O ATOM 505 CB LEU A 36 7.300 1.009 4.036 1.00 0.00 C ATOM 506 CG LEU A 36 7.447 -0.513 3.994 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.065 -0.954 2.676 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.285 -1.000 5.167 1.00 0.00 C ATOM 0 H LEU A 36 4.627 1.782 3.521 1.00 0.00 H new ATOM 0 HA LEU A 36 6.233 1.081 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.142 1.367 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.242 1.436 4.381 1.00 0.00 H new ATOM 0 HG LEU A 36 6.455 -0.957 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.162 -2.040 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.427 -0.638 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.050 -0.501 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.379 -2.085 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.275 -0.547 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.801 -0.717 6.102 1.00 0.00 H new ATOM 520 N CYS A 37 5.772 3.817 4.154 1.00 0.00 N ATOM 521 CA CYS A 37 5.846 5.272 4.204 1.00 0.00 C ATOM 522 C CYS A 37 4.451 5.889 4.172 1.00 0.00 C ATOM 523 O CYS A 37 4.290 7.094 4.365 1.00 0.00 O ATOM 524 CB CYS A 37 6.676 5.801 3.032 1.00 0.00 C ATOM 525 SG CYS A 37 5.904 5.551 1.401 1.00 0.00 S ATOM 0 H CYS A 37 5.264 3.448 3.350 1.00 0.00 H new ATOM 0 HA CYS A 37 6.328 5.555 5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.854 6.866 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.650 5.311 3.040 1.00 0.00 H new ATOM 530 N GLN A 38 3.446 5.054 3.928 1.00 0.00 N ATOM 531 CA GLN A 38 2.065 5.518 3.871 1.00 0.00 C ATOM 532 C GLN A 38 1.892 6.584 2.794 1.00 0.00 C ATOM 533 O GLN A 38 1.416 7.685 3.069 1.00 0.00 O ATOM 534 CB GLN A 38 1.635 6.075 5.230 1.00 0.00 C ATOM 535 CG GLN A 38 1.863 5.110 6.382 1.00 0.00 C ATOM 536 CD GLN A 38 0.660 4.229 6.653 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.316 4.663 7.267 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.722 2.984 6.195 1.00 0.00 N ATOM 0 H GLN A 38 3.562 4.054 3.767 1.00 0.00 H new ATOM 0 HA GLN A 38 1.433 4.667 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.183 6.997 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.577 6.335 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.726 4.482 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.104 5.675 7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.550 2.667 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.059 2.345 6.347 1.00 0.00 H new ATOM 547 N GLU A 39 2.284 6.249 1.569 1.00 0.00 N ATOM 548 CA GLU A 39 2.174 7.179 0.451 1.00 0.00 C ATOM 549 C GLU A 39 1.067 6.749 -0.507 1.00 0.00 C ATOM 550 O GLU A 39 1.018 5.597 -0.939 1.00 0.00 O ATOM 551 CB GLU A 39 3.505 7.272 -0.298 1.00 0.00 C ATOM 552 CG GLU A 39 3.402 7.985 -1.635 1.00 0.00 C ATOM 553 CD GLU A 39 4.699 8.660 -2.037 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.444 9.100 -1.137 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.970 8.747 -3.254 1.00 0.00 O ATOM 0 H GLU A 39 2.680 5.341 1.325 1.00 0.00 H new ATOM 0 HA GLU A 39 1.923 8.161 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.229 7.794 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.892 6.266 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.116 7.267 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.609 8.731 -1.585 1.00 0.00 H new ATOM 562 N VAL A 40 0.180 7.683 -0.836 1.00 0.00 N ATOM 563 CA VAL A 40 -0.926 7.402 -1.744 1.00 0.00 C ATOM 564 C VAL A 40 -0.449 6.626 -2.967 1.00 0.00 C ATOM 565 O VAL A 40 0.279 7.157 -3.807 1.00 0.00 O ATOM 566 CB VAL A 40 -1.615 8.699 -2.208 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.766 8.384 -3.151 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.100 9.502 -1.010 1.00 0.00 C ATOM 0 H VAL A 40 0.206 8.641 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.644 6.797 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.888 9.303 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.241 9.312 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.386 7.854 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.497 7.760 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.584 10.415 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.813 8.908 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.251 9.759 -0.377 1.00 0.00 H new ATOM 578 N LEU A 41 -0.864 5.368 -3.061 1.00 0.00 N ATOM 579 CA LEU A 41 -0.480 4.518 -4.183 1.00 0.00 C ATOM 580 C LEU A 41 -1.597 4.449 -5.220 1.00 0.00 C ATOM 581 O LEU A 41 -1.845 3.397 -5.809 1.00 0.00 O ATOM 582 CB LEU A 41 -0.139 3.111 -3.689 1.00 0.00 C ATOM 583 CG LEU A 41 0.406 3.014 -2.264 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.063 1.665 -1.652 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.911 3.240 -2.252 1.00 0.00 C ATOM 0 H LEU A 41 -1.466 4.914 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 41 0.401 4.954 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.037 2.497 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.595 2.677 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.063 3.793 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.459 1.614 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.020 1.542 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.504 0.870 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.282 3.167 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.397 2.484 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.133 4.230 -2.649 1.00 0.00 H new ATOM 597 N ALA A 42 -2.265 5.576 -5.440 1.00 0.00 N ATOM 598 CA ALA A 42 -3.351 5.644 -6.409 1.00 0.00 C ATOM 599 C ALA A 42 -2.822 5.949 -7.807 1.00 0.00 C ATOM 600 O ALA A 42 -3.078 5.204 -8.753 1.00 0.00 O ATOM 601 CB ALA A 42 -4.369 6.694 -5.988 1.00 0.00 C ATOM 0 H ALA A 42 -2.073 6.455 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.840 4.670 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.175 6.734 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.779 6.433 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.884 7.668 -5.929 1.00 0.00 H new ATOM 607 N ASP A 43 -2.084 7.046 -7.929 1.00 0.00 N ATOM 608 CA ASP A 43 -1.518 7.449 -9.211 1.00 0.00 C ATOM 609 C ASP A 43 -0.129 6.849 -9.404 1.00 0.00 C ATOM 610 O ASP A 43 0.145 6.207 -10.419 1.00 0.00 O ATOM 611 CB ASP A 43 -1.447 8.973 -9.305 1.00 0.00 C ATOM 612 CG ASP A 43 -1.546 9.470 -10.734 1.00 0.00 C ATOM 613 OD1 ASP A 43 -0.587 9.257 -11.504 1.00 0.00 O ATOM 614 OD2 ASP A 43 -2.583 10.074 -11.082 1.00 0.00 O ATOM 0 H ASP A 43 -1.863 7.673 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.169 7.075 -10.001 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.254 9.408 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.510 9.318 -8.867 1.00 0.00 H new ATOM 619 N ILE A 44 0.744 7.064 -8.426 1.00 0.00 N ATOM 620 CA ILE A 44 2.105 6.545 -8.489 1.00 0.00 C ATOM 621 C ILE A 44 2.108 5.025 -8.612 1.00 0.00 C ATOM 622 O ILE A 44 3.052 4.437 -9.138 1.00 0.00 O ATOM 623 CB ILE A 44 2.919 6.950 -7.246 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.317 6.322 -5.987 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.970 8.465 -7.116 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.227 6.393 -4.781 1.00 0.00 C ATOM 0 H ILE A 44 0.533 7.594 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 44 2.569 6.980 -9.375 1.00 0.00 H new ATOM 0 HB ILE A 44 3.938 6.580 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.378 6.824 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.078 5.278 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.549 8.735 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.441 8.891 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.957 8.856 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.735 5.929 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.157 5.866 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.446 7.436 -4.551 1.00 0.00 H new ATOM 638 N GLY A 45 1.044 4.395 -8.125 1.00 0.00 N ATOM 639 CA GLY A 45 0.943 2.949 -8.192 1.00 0.00 C ATOM 640 C GLY A 45 1.619 2.265 -7.019 1.00 0.00 C ATOM 641 O GLY A 45 2.502 2.839 -6.382 1.00 0.00 O ATOM 0 H GLY A 45 0.250 4.860 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.108 2.662 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.393 2.599 -9.121 1.00 0.00 H new ATOM 645 N PHE A 46 1.201 1.037 -6.732 1.00 0.00 N ATOM 646 CA PHE A 46 1.771 0.275 -5.626 1.00 0.00 C ATOM 647 C PHE A 46 2.437 -1.001 -6.130 1.00 0.00 C ATOM 648 O PHE A 46 2.380 -1.317 -7.319 1.00 0.00 O ATOM 649 CB PHE A 46 0.684 -0.071 -4.605 1.00 0.00 C ATOM 650 CG PHE A 46 -0.157 -1.250 -5.003 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.006 -1.175 -6.096 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.100 -2.433 -4.284 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.782 -2.258 -6.465 1.00 0.00 C ATOM 654 CE2 PHE A 46 -0.873 -3.519 -4.649 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.716 -3.431 -5.740 1.00 0.00 C ATOM 0 H PHE A 46 0.470 0.548 -7.249 1.00 0.00 H new ATOM 0 HA PHE A 46 2.529 0.892 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.153 -0.277 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.038 0.796 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.062 -0.260 -6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.556 -2.507 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.439 -2.187 -7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.818 -4.436 -4.081 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.322 -4.278 -6.025 1.00 0.00 H new ATOM 665 N VAL A 47 3.069 -1.732 -5.218 1.00 0.00 N ATOM 666 CA VAL A 47 3.746 -2.975 -5.568 1.00 0.00 C ATOM 667 C VAL A 47 3.435 -4.074 -4.559 1.00 0.00 C ATOM 668 O VAL A 47 3.722 -3.940 -3.369 1.00 0.00 O ATOM 669 CB VAL A 47 5.272 -2.781 -5.645 1.00 0.00 C ATOM 670 CG1 VAL A 47 5.951 -4.060 -6.110 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.615 -1.620 -6.567 1.00 0.00 C ATOM 0 H VAL A 47 3.126 -1.485 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 47 3.375 -3.271 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 47 5.641 -2.545 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.029 -3.903 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.732 -4.864 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.579 -4.331 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.697 -1.497 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.233 -1.825 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.161 -0.706 -6.185 1.00 0.00 H new ATOM 681 N LYS A 48 2.845 -5.163 -5.041 1.00 0.00 N ATOM 682 CA LYS A 48 2.496 -6.289 -4.183 1.00 0.00 C ATOM 683 C LYS A 48 3.749 -6.978 -3.653 1.00 0.00 C ATOM 684 O LYS A 48 4.501 -7.587 -4.412 1.00 0.00 O ATOM 685 CB LYS A 48 1.633 -7.293 -4.950 1.00 0.00 C ATOM 686 CG LYS A 48 0.141 -7.058 -4.795 1.00 0.00 C ATOM 687 CD LYS A 48 -0.329 -7.371 -3.384 1.00 0.00 C ATOM 688 CE LYS A 48 -0.464 -8.870 -3.162 1.00 0.00 C ATOM 689 NZ LYS A 48 -1.639 -9.434 -3.881 1.00 0.00 N ATOM 0 H LYS A 48 2.598 -5.289 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 48 1.928 -5.906 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.891 -7.247 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.871 -8.300 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.092 -6.021 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.402 -7.680 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.377 -6.957 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.289 -6.887 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.443 -9.370 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.560 -9.072 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.849 -10.384 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.463 -8.817 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.427 -9.496 -4.897 1.00 0.00 H new ATOM 703 N ASN A 49 3.965 -6.879 -2.345 1.00 0.00 N ATOM 704 CA ASN A 49 5.127 -7.495 -1.714 1.00 0.00 C ATOM 705 C ASN A 49 4.779 -8.010 -0.320 1.00 0.00 C ATOM 706 O ASN A 49 4.115 -7.326 0.458 1.00 0.00 O ATOM 707 CB ASN A 49 6.277 -6.490 -1.626 1.00 0.00 C ATOM 708 CG ASN A 49 7.636 -7.161 -1.693 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.813 -8.163 -2.385 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.604 -6.608 -0.971 1.00 0.00 N ATOM 0 H ASN A 49 3.351 -6.379 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 49 5.438 -8.341 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.190 -5.770 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.196 -5.930 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.540 -7.014 -0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.412 -5.777 -0.412 1.00 0.00 H new ATOM 717 N ALA A 50 5.233 -9.221 -0.013 1.00 0.00 N ATOM 718 CA ALA A 50 4.973 -9.827 1.287 1.00 0.00 C ATOM 719 C ALA A 50 3.531 -9.593 1.723 1.00 0.00 C ATOM 720 O ALA A 50 3.253 -9.401 2.906 1.00 0.00 O ATOM 721 CB ALA A 50 5.937 -9.277 2.328 1.00 0.00 C ATOM 0 H ALA A 50 5.782 -9.801 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 50 5.128 -10.902 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.731 -9.738 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.961 -9.501 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.810 -8.197 2.407 1.00 0.00 H new ATOM 727 N GLY A 51 2.616 -9.609 0.759 1.00 0.00 N ATOM 728 CA GLY A 51 1.213 -9.397 1.064 1.00 0.00 C ATOM 729 C GLY A 51 0.943 -8.011 1.614 1.00 0.00 C ATOM 730 O GLY A 51 0.103 -7.839 2.497 1.00 0.00 O ATOM 0 H GLY A 51 2.821 -9.765 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.621 -9.548 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.885 -10.142 1.789 1.00 0.00 H new ATOM 734 N ARG A 52 1.658 -7.019 1.093 1.00 0.00 N ATOM 735 CA ARG A 52 1.493 -5.641 1.540 1.00 0.00 C ATOM 736 C ARG A 52 1.626 -4.670 0.371 1.00 0.00 C ATOM 737 O ARG A 52 2.467 -4.854 -0.510 1.00 0.00 O ATOM 738 CB ARG A 52 2.527 -5.305 2.616 1.00 0.00 C ATOM 739 CG ARG A 52 2.474 -6.228 3.822 1.00 0.00 C ATOM 740 CD ARG A 52 3.719 -6.090 4.685 1.00 0.00 C ATOM 741 NE ARG A 52 3.884 -7.222 5.593 1.00 0.00 N ATOM 742 CZ ARG A 52 4.572 -7.160 6.728 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.155 -6.026 7.092 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.676 -8.233 7.501 1.00 0.00 N ATOM 0 H ARG A 52 2.357 -7.144 0.361 1.00 0.00 H new ATOM 0 HA ARG A 52 0.493 -5.540 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.524 -5.352 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.373 -4.278 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.590 -6.000 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.375 -7.261 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.597 -6.008 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.659 -5.168 5.263 1.00 0.00 H new ATOM 0 HE ARG A 52 3.447 -8.109 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.076 -5.199 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.683 -5.981 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.228 -9.106 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.204 -8.185 8.372 1.00 0.00 H new ATOM 758 N HIS A 53 0.791 -3.636 0.368 1.00 0.00 N ATOM 759 CA HIS A 53 0.815 -2.636 -0.693 1.00 0.00 C ATOM 760 C HIS A 53 1.860 -1.563 -0.405 1.00 0.00 C ATOM 761 O HIS A 53 1.703 -0.759 0.515 1.00 0.00 O ATOM 762 CB HIS A 53 -0.564 -1.993 -0.848 1.00 0.00 C ATOM 763 CG HIS A 53 -1.040 -1.292 0.387 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.115 -0.428 0.395 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.582 -1.332 1.660 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.296 0.034 1.619 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.379 -0.500 2.406 1.00 0.00 N ATOM 0 H HIS A 53 0.089 -3.469 1.089 1.00 0.00 H new ATOM 0 HA HIS A 53 1.081 -3.136 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.533 -1.280 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.286 -2.763 -1.120 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.682 -0.184 -0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.255 -1.911 2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.063 0.730 1.925 1.00 0.00 H new ATOM 776 N LEU A 54 2.928 -1.557 -1.196 1.00 0.00 N ATOM 777 CA LEU A 54 4.000 -0.583 -1.025 1.00 0.00 C ATOM 778 C LEU A 54 4.185 0.250 -2.290 1.00 0.00 C ATOM 779 O LEU A 54 3.537 0.006 -3.308 1.00 0.00 O ATOM 780 CB LEU A 54 5.309 -1.292 -0.672 1.00 0.00 C ATOM 781 CG LEU A 54 5.175 -2.584 0.135 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.491 -3.346 0.145 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.721 -2.282 1.555 1.00 0.00 C ATOM 0 H LEU A 54 3.074 -2.215 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 54 3.724 0.085 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.838 -1.519 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.934 -0.599 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 54 4.420 -3.210 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.376 -4.262 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.775 -3.596 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.267 -2.727 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.631 -3.213 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.452 -1.636 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.754 -1.780 1.529 1.00 0.00 H new ATOM 795 N CYS A 55 5.076 1.234 -2.219 1.00 0.00 N ATOM 796 CA CYS A 55 5.349 2.103 -3.357 1.00 0.00 C ATOM 797 C CYS A 55 6.709 1.784 -3.971 1.00 0.00 C ATOM 798 O CYS A 55 7.639 1.385 -3.270 1.00 0.00 O ATOM 799 CB CYS A 55 5.302 3.571 -2.928 1.00 0.00 C ATOM 800 SG CYS A 55 6.676 4.073 -1.843 1.00 0.00 S ATOM 0 H CYS A 55 5.621 1.449 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 55 4.580 1.927 -4.109 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.309 4.199 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.360 3.758 -2.413 1.00 0.00 H new ATOM 805 N ARG A 56 6.817 1.963 -5.283 1.00 0.00 N ATOM 806 CA ARG A 56 8.062 1.694 -5.991 1.00 0.00 C ATOM 807 C ARG A 56 9.267 2.073 -5.135 1.00 0.00 C ATOM 808 O ARG A 56 10.186 1.280 -4.927 1.00 0.00 O ATOM 809 CB ARG A 56 8.099 2.464 -7.313 1.00 0.00 C ATOM 810 CG ARG A 56 7.722 1.621 -8.520 1.00 0.00 C ATOM 811 CD ARG A 56 8.107 2.307 -9.821 1.00 0.00 C ATOM 812 NE ARG A 56 7.190 3.392 -10.160 1.00 0.00 N ATOM 813 CZ ARG A 56 7.513 4.406 -10.954 1.00 0.00 C ATOM 814 NH1 ARG A 56 8.724 4.475 -11.488 1.00 0.00 N ATOM 815 NH2 ARG A 56 6.623 5.355 -11.216 1.00 0.00 N ATOM 0 H ARG A 56 6.057 2.293 -5.877 1.00 0.00 H new ATOM 0 HA ARG A 56 8.108 0.625 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.420 3.314 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.101 2.867 -7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.218 0.652 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.649 1.431 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.120 2.701 -9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.116 1.575 -10.628 1.00 0.00 H new ATOM 0 HE ARG A 56 6.250 3.370 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.411 3.748 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.969 5.255 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.690 5.306 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.872 6.134 -11.826 1.00 0.00 H new ATOM 829 N PRO A 57 9.266 3.315 -4.628 1.00 0.00 N ATOM 830 CA PRO A 57 10.352 3.827 -3.787 1.00 0.00 C ATOM 831 C PRO A 57 10.734 2.854 -2.677 1.00 0.00 C ATOM 832 O PRO A 57 11.878 2.405 -2.598 1.00 0.00 O ATOM 833 CB PRO A 57 9.765 5.111 -3.194 1.00 0.00 C ATOM 834 CG PRO A 57 8.739 5.550 -4.180 1.00 0.00 C ATOM 835 CD PRO A 57 8.204 4.314 -4.836 1.00 0.00 C ATOM 0 HA PRO A 57 11.269 3.983 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.321 4.928 -2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.534 5.872 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.939 6.101 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.177 6.220 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.264 3.997 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.010 4.476 -5.896 1.00 0.00 H new ATOM 843 N CYS A 58 9.770 2.531 -1.821 1.00 0.00 N ATOM 844 CA CYS A 58 10.006 1.611 -0.715 1.00 0.00 C ATOM 845 C CYS A 58 10.286 0.202 -1.230 1.00 0.00 C ATOM 846 O CYS A 58 11.403 -0.302 -1.115 1.00 0.00 O ATOM 847 CB CYS A 58 8.799 1.592 0.225 1.00 0.00 C ATOM 848 SG CYS A 58 8.458 3.190 1.030 1.00 0.00 S ATOM 0 H CYS A 58 8.818 2.893 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 58 10.881 1.958 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.918 1.286 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.963 0.837 0.994 1.00 0.00 H new ATOM 853 N HIS A 59 9.263 -0.428 -1.799 1.00 0.00 N ATOM 854 CA HIS A 59 9.399 -1.779 -2.333 1.00 0.00 C ATOM 855 C HIS A 59 10.775 -1.979 -2.960 1.00 0.00 C ATOM 856 O HIS A 59 11.343 -3.069 -2.899 1.00 0.00 O ATOM 857 CB HIS A 59 8.309 -2.052 -3.369 1.00 0.00 C ATOM 858 CG HIS A 59 8.640 -3.173 -4.306 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.658 -4.496 -3.920 1.00 0.00 N ATOM 860 CD2 HIS A 59 8.966 -3.161 -5.620 1.00 0.00 C ATOM 861 CE1 HIS A 59 8.982 -5.250 -4.955 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.174 -4.464 -5.999 1.00 0.00 N ATOM 0 H HIS A 59 8.332 -0.025 -1.902 1.00 0.00 H new ATOM 0 HA HIS A 59 9.290 -2.483 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.378 -2.285 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.134 -1.145 -3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.047 -2.289 -6.252 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.074 -6.326 -4.949 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.435 -4.775 -6.935 1.00 0.00 H new ATOM 871 N ASN A 60 11.305 -0.920 -3.565 1.00 0.00 N ATOM 872 CA ASN A 60 12.614 -0.981 -4.204 1.00 0.00 C ATOM 873 C ASN A 60 13.721 -1.123 -3.165 1.00 0.00 C ATOM 874 O ASN A 60 14.633 -1.936 -3.321 1.00 0.00 O ATOM 875 CB ASN A 60 12.850 0.273 -5.049 1.00 0.00 C ATOM 876 CG ASN A 60 12.343 0.117 -6.470 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.645 -0.868 -7.144 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.569 1.092 -6.932 1.00 0.00 N ATOM 0 H ASN A 60 10.848 -0.010 -3.626 1.00 0.00 H new ATOM 0 HA ASN A 60 12.634 -1.857 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.353 1.122 -4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.916 0.499 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.199 1.043 -7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.345 1.890 -6.338 1.00 0.00 H new ATOM 885 N ARG A 61 13.635 -0.328 -2.104 1.00 0.00 N ATOM 886 CA ARG A 61 14.630 -0.365 -1.039 1.00 0.00 C ATOM 887 C ARG A 61 14.730 -1.763 -0.436 1.00 0.00 C ATOM 888 O ARG A 61 15.807 -2.198 -0.029 1.00 0.00 O ATOM 889 CB ARG A 61 14.278 0.648 0.052 1.00 0.00 C ATOM 890 CG ARG A 61 13.423 0.070 1.168 1.00 0.00 C ATOM 891 CD ARG A 61 12.912 1.157 2.099 1.00 0.00 C ATOM 892 NE ARG A 61 12.519 0.623 3.401 1.00 0.00 N ATOM 893 CZ ARG A 61 12.192 1.385 4.439 1.00 0.00 C ATOM 894 NH1 ARG A 61 12.211 2.706 4.329 1.00 0.00 N ATOM 895 NH2 ARG A 61 11.846 0.824 5.591 1.00 0.00 N ATOM 0 H ARG A 61 12.887 0.350 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 61 15.596 -0.104 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.199 1.043 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.750 1.488 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.579 -0.469 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.007 -0.653 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.687 1.911 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.059 1.656 1.640 1.00 0.00 H new ATOM 0 HE ARG A 61 12.494 -0.390 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.477 3.140 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.959 3.288 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.831 -0.192 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.595 1.409 6.388 1.00 0.00 H new ATOM 909 N GLU A 62 13.600 -2.461 -0.383 1.00 0.00 N ATOM 910 CA GLU A 62 13.561 -3.809 0.171 1.00 0.00 C ATOM 911 C GLU A 62 14.161 -4.817 -0.806 1.00 0.00 C ATOM 912 O GLU A 62 15.231 -5.374 -0.563 1.00 0.00 O ATOM 913 CB GLU A 62 12.122 -4.205 0.509 1.00 0.00 C ATOM 914 CG GLU A 62 11.339 -3.109 1.212 1.00 0.00 C ATOM 915 CD GLU A 62 11.674 -3.008 2.687 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.863 -2.811 3.013 1.00 0.00 O ATOM 917 OE2 GLU A 62 10.747 -3.126 3.516 1.00 0.00 O ATOM 0 H GLU A 62 12.700 -2.116 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 62 14.156 -3.815 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.604 -4.478 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.137 -5.092 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.546 -2.153 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.272 -3.299 1.098 1.00 0.00 H new ATOM 924 N LYS A 63 13.463 -5.046 -1.913 1.00 0.00 N ATOM 925 CA LYS A 63 13.924 -5.985 -2.929 1.00 0.00 C ATOM 926 C LYS A 63 15.383 -5.723 -3.289 1.00 0.00 C ATOM 927 O LYS A 63 16.113 -6.639 -3.665 1.00 0.00 O ATOM 928 CB LYS A 63 13.052 -5.881 -4.182 1.00 0.00 C ATOM 929 CG LYS A 63 12.983 -4.479 -4.762 1.00 0.00 C ATOM 930 CD LYS A 63 14.053 -4.260 -5.819 1.00 0.00 C ATOM 931 CE LYS A 63 13.671 -4.909 -7.141 1.00 0.00 C ATOM 932 NZ LYS A 63 14.858 -5.134 -8.011 1.00 0.00 N ATOM 0 H LYS A 63 12.575 -4.594 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 63 13.844 -6.992 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.440 -6.560 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.043 -6.215 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.999 -4.313 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.104 -3.747 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.206 -3.191 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.000 -4.672 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.176 -5.861 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.953 -4.276 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.556 -5.578 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.316 -4.223 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.532 -5.759 -7.524 1.00 0.00 H new ATOM 946 N ALA A 64 15.801 -4.467 -3.170 1.00 0.00 N ATOM 947 CA ALA A 64 17.173 -4.086 -3.480 1.00 0.00 C ATOM 948 C ALA A 64 18.147 -5.203 -3.122 1.00 0.00 C ATOM 949 O ALA A 64 18.151 -5.699 -1.995 1.00 0.00 O ATOM 950 CB ALA A 64 17.544 -2.805 -2.747 1.00 0.00 C ATOM 0 H ALA A 64 15.209 -3.696 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 64 17.241 -3.910 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.571 -2.532 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.874 -2.002 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.453 -2.961 -1.672 1.00 0.00 H new ATOM 956 N SER A 65 18.972 -5.595 -4.088 1.00 0.00 N ATOM 957 CA SER A 65 19.948 -6.658 -3.876 1.00 0.00 C ATOM 958 C SER A 65 19.271 -7.921 -3.352 1.00 0.00 C ATOM 959 O SER A 65 19.786 -8.589 -2.457 1.00 0.00 O ATOM 960 CB SER A 65 21.027 -6.199 -2.893 1.00 0.00 C ATOM 961 OG SER A 65 21.994 -5.390 -3.539 1.00 0.00 O ATOM 0 H SER A 65 18.984 -5.192 -5.025 1.00 0.00 H new ATOM 0 HA SER A 65 20.413 -6.887 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.567 -5.640 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 65 21.513 -7.068 -2.450 1.00 0.00 H new ATOM 0 HG SER A 65 22.671 -5.108 -2.889 1.00 0.00 H new ATOM 967 N GLY A 66 18.111 -8.241 -3.917 1.00 0.00 N ATOM 968 CA GLY A 66 17.380 -9.422 -3.496 1.00 0.00 C ATOM 969 C GLY A 66 16.670 -9.222 -2.172 1.00 0.00 C ATOM 970 O GLY A 66 17.152 -8.519 -1.284 1.00 0.00 O ATOM 0 H GLY A 66 17.664 -7.703 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.649 -9.685 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.070 -10.262 -3.412 1.00 0.00 H new ATOM 974 N PRO A 67 15.494 -9.850 -2.026 1.00 0.00 N ATOM 975 CA PRO A 67 14.690 -9.752 -0.804 1.00 0.00 C ATOM 976 C PRO A 67 15.333 -10.477 0.373 1.00 0.00 C ATOM 977 O PRO A 67 14.982 -10.238 1.528 1.00 0.00 O ATOM 978 CB PRO A 67 13.372 -10.427 -1.192 1.00 0.00 C ATOM 979 CG PRO A 67 13.735 -11.364 -2.292 1.00 0.00 C ATOM 980 CD PRO A 67 14.858 -10.705 -3.043 1.00 0.00 C ATOM 0 HA PRO A 67 14.575 -8.720 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.936 -10.959 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.635 -9.695 -1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.045 -12.331 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.883 -11.547 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.557 -11.438 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.489 -10.120 -3.886 1.00 0.00 H new ATOM 988 N SER A 68 16.278 -11.362 0.072 1.00 0.00 N ATOM 989 CA SER A 68 16.969 -12.124 1.106 1.00 0.00 C ATOM 990 C SER A 68 18.336 -12.590 0.615 1.00 0.00 C ATOM 991 O SER A 68 18.458 -13.161 -0.468 1.00 0.00 O ATOM 992 CB SER A 68 16.128 -13.330 1.528 1.00 0.00 C ATOM 993 OG SER A 68 16.035 -14.279 0.479 1.00 0.00 O ATOM 0 H SER A 68 16.583 -11.569 -0.879 1.00 0.00 H new ATOM 0 HA SER A 68 17.114 -11.472 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.572 -13.797 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.129 -12.999 1.813 1.00 0.00 H new ATOM 0 HG SER A 68 16.716 -14.086 -0.199 1.00 0.00 H new ATOM 999 N SER A 69 19.363 -12.341 1.421 1.00 0.00 N ATOM 1000 CA SER A 69 20.724 -12.731 1.069 1.00 0.00 C ATOM 1001 C SER A 69 20.767 -14.179 0.590 1.00 0.00 C ATOM 1002 O SER A 69 21.156 -14.459 -0.543 1.00 0.00 O ATOM 1003 CB SER A 69 21.656 -12.550 2.268 1.00 0.00 C ATOM 1004 OG SER A 69 21.787 -11.181 2.610 1.00 0.00 O ATOM 0 H SER A 69 19.279 -11.871 2.322 1.00 0.00 H new ATOM 0 HA SER A 69 21.061 -12.087 0.256 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.268 -13.106 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.637 -12.966 2.036 1.00 0.00 H new ATOM 0 HG SER A 69 22.386 -11.092 3.380 1.00 0.00 H new ATOM 1010 N GLY A 70 20.364 -15.097 1.464 1.00 0.00 N ATOM 1011 CA GLY A 70 20.365 -16.505 1.114 1.00 0.00 C ATOM 1012 C GLY A 70 21.765 -17.071 0.991 1.00 0.00 C ATOM 1013 O GLY A 70 22.716 -16.416 1.415 1.00 0.00 O ATOM 0 H GLY A 70 20.037 -14.890 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.815 -17.065 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.837 -16.642 0.170 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.275 4.284 2.398 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.617 3.578 0.344 1.00 0.00 ZN