USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=9 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 Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00832 X(o=-0.0083,f=-0.16) USER MOD Single : A 10 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.29) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.0056) USER MOD Single : A 25 ASN : amide:sc= -2.86! C(o=-2.9!,f=-2.9!) USER MOD Single : A 26 SER OG : rot 48:sc= 0.769 USER MOD Single : A 38 GLN : amide:sc=-0.00144 X(o=-0.0014,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.096 K(o=-0.096,f=-1.7!) USER MOD Single : A 53 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-8.4!) USER MOD Single : A 59 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-5.5!) USER MOD Single : A 60 ASN : amide:sc= -2.4! X(o=-2.4!,f=-2.3) 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 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.282 -8.389 -8.355 1.00 0.00 N ATOM 2 CA GLY A 1 -27.890 -8.103 -8.061 1.00 0.00 C ATOM 3 C GLY A 1 -27.478 -6.713 -8.503 1.00 0.00 C ATOM 4 O GLY A 1 -27.331 -6.452 -9.697 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.514 -9.350 -8.034 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.889 -7.703 -7.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.442 -8.319 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.720 -8.205 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.258 -8.841 -8.556 1.00 0.00 H new ATOM 8 N SER A 2 -27.294 -5.817 -7.539 1.00 0.00 N ATOM 9 CA SER A 2 -26.902 -4.444 -7.836 1.00 0.00 C ATOM 10 C SER A 2 -25.493 -4.396 -8.420 1.00 0.00 C ATOM 11 O SER A 2 -24.551 -4.941 -7.844 1.00 0.00 O ATOM 12 CB SER A 2 -26.971 -3.587 -6.570 1.00 0.00 C ATOM 13 OG SER A 2 -28.309 -3.227 -6.271 1.00 0.00 O ATOM 0 H SER A 2 -27.410 -6.017 -6.546 1.00 0.00 H new ATOM 0 HA SER A 2 -27.597 -4.045 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.543 -4.136 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.370 -2.687 -6.703 1.00 0.00 H new ATOM 0 HG SER A 2 -28.327 -2.681 -5.457 1.00 0.00 H new ATOM 19 N SER A 3 -25.357 -3.739 -9.567 1.00 0.00 N ATOM 20 CA SER A 3 -24.065 -3.622 -10.233 1.00 0.00 C ATOM 21 C SER A 3 -23.160 -2.641 -9.493 1.00 0.00 C ATOM 22 O SER A 3 -23.052 -1.475 -9.868 1.00 0.00 O ATOM 23 CB SER A 3 -24.253 -3.166 -11.681 1.00 0.00 C ATOM 24 OG SER A 3 -25.068 -4.076 -12.400 1.00 0.00 O ATOM 0 H SER A 3 -26.126 -3.279 -10.055 1.00 0.00 H new ATOM 0 HA SER A 3 -23.591 -4.603 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.707 -2.175 -11.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.281 -3.080 -12.168 1.00 0.00 H new ATOM 0 HG SER A 3 -25.175 -3.762 -13.322 1.00 0.00 H new ATOM 30 N GLY A 4 -22.511 -3.125 -8.438 1.00 0.00 N ATOM 31 CA GLY A 4 -21.623 -2.279 -7.661 1.00 0.00 C ATOM 32 C GLY A 4 -21.235 -2.908 -6.338 1.00 0.00 C ATOM 33 O GLY A 4 -20.470 -3.872 -6.302 1.00 0.00 O ATOM 0 H GLY A 4 -22.584 -4.087 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.723 -2.074 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.109 -1.321 -7.476 1.00 0.00 H new ATOM 37 N SER A 5 -21.761 -2.360 -5.247 1.00 0.00 N ATOM 38 CA SER A 5 -21.460 -2.870 -3.915 1.00 0.00 C ATOM 39 C SER A 5 -19.953 -2.972 -3.699 1.00 0.00 C ATOM 40 O SER A 5 -19.463 -3.932 -3.105 1.00 0.00 O ATOM 41 CB SER A 5 -22.110 -4.240 -3.711 1.00 0.00 C ATOM 42 OG SER A 5 -23.504 -4.184 -3.955 1.00 0.00 O ATOM 0 H SER A 5 -22.397 -1.563 -5.260 1.00 0.00 H new ATOM 0 HA SER A 5 -21.867 -2.170 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.650 -4.968 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.929 -4.584 -2.693 1.00 0.00 H new ATOM 0 HG SER A 5 -23.896 -5.072 -3.820 1.00 0.00 H new ATOM 48 N SER A 6 -19.223 -1.974 -4.187 1.00 0.00 N ATOM 49 CA SER A 6 -17.771 -1.952 -4.052 1.00 0.00 C ATOM 50 C SER A 6 -17.337 -0.912 -3.024 1.00 0.00 C ATOM 51 O SER A 6 -17.270 0.280 -3.320 1.00 0.00 O ATOM 52 CB SER A 6 -17.117 -1.654 -5.403 1.00 0.00 C ATOM 53 OG SER A 6 -17.269 -2.745 -6.294 1.00 0.00 O ATOM 0 H SER A 6 -19.613 -1.170 -4.679 1.00 0.00 H new ATOM 0 HA SER A 6 -17.447 -2.934 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.564 -0.760 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.057 -1.443 -5.259 1.00 0.00 H new ATOM 0 HG SER A 6 -16.844 -2.529 -7.151 1.00 0.00 H new ATOM 59 N GLY A 7 -17.043 -1.374 -1.812 1.00 0.00 N ATOM 60 CA GLY A 7 -16.620 -0.472 -0.757 1.00 0.00 C ATOM 61 C GLY A 7 -15.145 -0.610 -0.434 1.00 0.00 C ATOM 62 O GLY A 7 -14.547 -1.661 -0.664 1.00 0.00 O ATOM 0 H GLY A 7 -17.090 -2.357 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.829 0.555 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.206 -0.668 0.141 1.00 0.00 H new ATOM 66 N CYS A 8 -14.556 0.455 0.099 1.00 0.00 N ATOM 67 CA CYS A 8 -13.141 0.450 0.452 1.00 0.00 C ATOM 68 C CYS A 8 -12.868 -0.531 1.588 1.00 0.00 C ATOM 69 O CYS A 8 -13.685 -0.691 2.495 1.00 0.00 O ATOM 70 CB CYS A 8 -12.690 1.855 0.857 1.00 0.00 C ATOM 71 SG CYS A 8 -11.098 1.899 1.742 1.00 0.00 S ATOM 0 H CYS A 8 -15.037 1.333 0.296 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.574 0.132 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.613 2.472 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.457 2.303 1.489 1.00 0.00 H new ATOM 76 N HIS A 9 -11.712 -1.186 1.532 1.00 0.00 N ATOM 77 CA HIS A 9 -11.330 -2.151 2.556 1.00 0.00 C ATOM 78 C HIS A 9 -10.522 -1.478 3.662 1.00 0.00 C ATOM 79 O HIS A 9 -10.684 -1.793 4.841 1.00 0.00 O ATOM 80 CB HIS A 9 -10.519 -3.289 1.937 1.00 0.00 C ATOM 81 CG HIS A 9 -10.306 -4.447 2.864 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.305 -4.966 3.660 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.201 -5.186 3.117 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.823 -5.975 4.365 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.549 -6.129 4.053 1.00 0.00 N ATOM 0 H HIS A 9 -11.024 -1.066 0.788 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.241 -2.560 2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.029 -3.641 1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.549 -2.903 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.228 -5.058 2.667 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.377 -6.572 5.075 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.924 -6.834 4.444 1.00 0.00 H new ATOM 94 N GLN A 10 -9.652 -0.552 3.273 1.00 0.00 N ATOM 95 CA GLN A 10 -8.818 0.164 4.232 1.00 0.00 C ATOM 96 C GLN A 10 -9.645 0.644 5.420 1.00 0.00 C ATOM 97 O GLN A 10 -9.478 0.163 6.541 1.00 0.00 O ATOM 98 CB GLN A 10 -8.134 1.354 3.557 1.00 0.00 C ATOM 99 CG GLN A 10 -7.285 2.185 4.505 1.00 0.00 C ATOM 100 CD GLN A 10 -6.054 1.444 4.988 1.00 0.00 C ATOM 101 OE1 GLN A 10 -6.139 0.583 5.864 1.00 0.00 O ATOM 102 NE2 GLN A 10 -4.901 1.777 4.420 1.00 0.00 N ATOM 0 H GLN A 10 -9.506 -0.280 2.301 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.056 -0.524 4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.505 0.989 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.894 1.993 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.978 3.102 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.888 2.479 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.877 2.497 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.039 1.313 4.706 1.00 0.00 H new ATOM 111 N CYS A 11 -10.536 1.597 5.168 1.00 0.00 N ATOM 112 CA CYS A 11 -11.389 2.144 6.216 1.00 0.00 C ATOM 113 C CYS A 11 -12.714 1.389 6.289 1.00 0.00 C ATOM 114 O CYS A 11 -13.192 1.057 7.372 1.00 0.00 O ATOM 115 CB CYS A 11 -11.650 3.630 5.966 1.00 0.00 C ATOM 116 SG CYS A 11 -12.493 3.983 4.391 1.00 0.00 S ATOM 0 H CYS A 11 -10.686 2.007 4.246 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.872 2.028 7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.252 4.025 6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.699 4.163 5.984 1.00 0.00 H new ATOM 121 N GLY A 12 -13.301 1.122 5.126 1.00 0.00 N ATOM 122 CA GLY A 12 -14.564 0.409 5.080 1.00 0.00 C ATOM 123 C GLY A 12 -15.655 1.206 4.393 1.00 0.00 C ATOM 124 O GLY A 12 -16.483 0.646 3.676 1.00 0.00 O ATOM 0 H GLY A 12 -12.925 1.387 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.425 -0.537 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.879 0.168 6.095 1.00 0.00 H new ATOM 128 N GLU A 13 -15.657 2.517 4.615 1.00 0.00 N ATOM 129 CA GLU A 13 -16.657 3.392 4.014 1.00 0.00 C ATOM 130 C GLU A 13 -16.809 3.101 2.524 1.00 0.00 C ATOM 131 O GLU A 13 -15.863 2.667 1.865 1.00 0.00 O ATOM 132 CB GLU A 13 -16.275 4.859 4.222 1.00 0.00 C ATOM 133 CG GLU A 13 -16.060 5.231 5.680 1.00 0.00 C ATOM 134 CD GLU A 13 -17.362 5.376 6.443 1.00 0.00 C ATOM 135 OE1 GLU A 13 -17.863 4.357 6.963 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.881 6.510 6.520 1.00 0.00 O ATOM 0 H GLU A 13 -14.978 2.996 5.206 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.612 3.200 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.363 5.071 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.058 5.492 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.446 4.469 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.505 6.168 5.734 1.00 0.00 H new ATOM 143 N PHE A 14 -18.005 3.342 1.999 1.00 0.00 N ATOM 144 CA PHE A 14 -18.283 3.105 0.587 1.00 0.00 C ATOM 145 C PHE A 14 -17.606 4.159 -0.285 1.00 0.00 C ATOM 146 O PHE A 14 -17.580 5.341 0.060 1.00 0.00 O ATOM 147 CB PHE A 14 -19.792 3.110 0.334 1.00 0.00 C ATOM 148 CG PHE A 14 -20.188 2.417 -0.938 1.00 0.00 C ATOM 149 CD1 PHE A 14 -19.903 1.074 -1.129 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.847 3.107 -1.943 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.266 0.434 -2.299 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.213 2.472 -3.115 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.923 1.134 -3.293 1.00 0.00 C ATOM 0 H PHE A 14 -18.798 3.702 2.530 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.881 2.127 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.295 2.628 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.144 4.141 0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.391 0.521 -0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.077 4.154 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.036 -0.612 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.725 3.022 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.209 0.635 -4.207 1.00 0.00 H new ATOM 163 N ILE A 15 -17.061 3.723 -1.415 1.00 0.00 N ATOM 164 CA ILE A 15 -16.385 4.628 -2.336 1.00 0.00 C ATOM 165 C ILE A 15 -17.363 5.210 -3.351 1.00 0.00 C ATOM 166 O ILE A 15 -18.128 4.479 -3.981 1.00 0.00 O ATOM 167 CB ILE A 15 -15.245 3.918 -3.088 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.442 3.037 -2.128 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.339 4.937 -3.763 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.710 1.906 -2.815 1.00 0.00 C ATOM 0 H ILE A 15 -17.074 2.748 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 15 -15.965 5.435 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.680 3.281 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.720 3.657 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.116 2.621 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.538 4.419 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.919 5.526 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.909 5.597 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.163 1.324 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.429 1.263 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.010 2.315 -3.544 1.00 0.00 H new ATOM 182 N ILE A 16 -17.332 6.530 -3.505 1.00 0.00 N ATOM 183 CA ILE A 16 -18.213 7.210 -4.446 1.00 0.00 C ATOM 184 C ILE A 16 -17.425 8.134 -5.368 1.00 0.00 C ATOM 185 O ILE A 16 -16.782 9.080 -4.914 1.00 0.00 O ATOM 186 CB ILE A 16 -19.292 8.030 -3.714 1.00 0.00 C ATOM 187 CG1 ILE A 16 -19.976 7.176 -2.645 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.313 8.566 -4.706 1.00 0.00 C ATOM 189 CD1 ILE A 16 -20.905 7.962 -1.746 1.00 0.00 C ATOM 0 H ILE A 16 -16.706 7.149 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.698 6.436 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.813 8.877 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.541 6.382 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.213 6.694 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.069 9.143 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.813 9.206 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.790 7.733 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.355 7.292 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.341 8.739 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.690 8.422 -2.347 1.00 0.00 H new ATOM 201 N GLY A 17 -17.481 7.855 -6.666 1.00 0.00 N ATOM 202 CA GLY A 17 -16.770 8.671 -7.632 1.00 0.00 C ATOM 203 C GLY A 17 -15.573 7.956 -8.226 1.00 0.00 C ATOM 204 O GLY A 17 -15.609 7.521 -9.377 1.00 0.00 O ATOM 0 H GLY A 17 -18.007 7.078 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.452 8.958 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.438 9.591 -7.151 1.00 0.00 H new ATOM 208 N ARG A 18 -14.508 7.836 -7.440 1.00 0.00 N ATOM 209 CA ARG A 18 -13.293 7.172 -7.896 1.00 0.00 C ATOM 210 C ARG A 18 -13.004 5.931 -7.056 1.00 0.00 C ATOM 211 O ARG A 18 -12.819 6.019 -5.842 1.00 0.00 O ATOM 212 CB ARG A 18 -12.105 8.133 -7.830 1.00 0.00 C ATOM 213 CG ARG A 18 -10.754 7.437 -7.880 1.00 0.00 C ATOM 214 CD ARG A 18 -9.670 8.363 -8.408 1.00 0.00 C ATOM 215 NE ARG A 18 -8.594 7.627 -9.066 1.00 0.00 N ATOM 216 CZ ARG A 18 -8.644 7.227 -10.331 1.00 0.00 C ATOM 217 NH1 ARG A 18 -9.712 7.491 -11.072 1.00 0.00 N ATOM 218 NH2 ARG A 18 -7.624 6.561 -10.859 1.00 0.00 N ATOM 0 H ARG A 18 -14.462 8.190 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.444 6.863 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.172 8.837 -8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.170 8.715 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.484 7.091 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.822 6.554 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.109 9.070 -9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.259 8.947 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.758 7.408 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.498 8.003 -10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.748 7.182 -12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.801 6.356 -10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.664 6.254 -11.831 1.00 0.00 H new ATOM 232 N VAL A 19 -12.967 4.774 -7.711 1.00 0.00 N ATOM 233 CA VAL A 19 -12.701 3.516 -7.025 1.00 0.00 C ATOM 234 C VAL A 19 -11.357 2.933 -7.449 1.00 0.00 C ATOM 235 O VAL A 19 -11.151 2.610 -8.619 1.00 0.00 O ATOM 236 CB VAL A 19 -13.807 2.480 -7.302 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.306 1.073 -7.015 1.00 0.00 C ATOM 238 CG2 VAL A 19 -15.046 2.792 -6.476 1.00 0.00 C ATOM 0 H VAL A 19 -13.118 4.683 -8.716 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.679 3.736 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.077 2.535 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.101 0.355 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.450 0.854 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.007 0.999 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.818 2.051 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.793 2.765 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.416 3.784 -6.736 1.00 0.00 H new ATOM 248 N ILE A 20 -10.447 2.800 -6.490 1.00 0.00 N ATOM 249 CA ILE A 20 -9.124 2.255 -6.764 1.00 0.00 C ATOM 250 C ILE A 20 -9.108 0.739 -6.596 1.00 0.00 C ATOM 251 O ILE A 20 -9.098 0.227 -5.476 1.00 0.00 O ATOM 252 CB ILE A 20 -8.058 2.873 -5.840 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.230 4.392 -5.771 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.662 2.515 -6.329 1.00 0.00 C ATOM 255 CD1 ILE A 20 -8.024 5.085 -7.100 1.00 0.00 C ATOM 0 H ILE A 20 -10.602 3.062 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.887 2.507 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.187 2.465 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.230 4.620 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.524 4.797 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.919 2.959 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.544 1.431 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.521 2.898 -7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.161 6.159 -6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.014 4.888 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.747 4.708 -7.823 1.00 0.00 H new ATOM 267 N LYS A 21 -9.105 0.025 -7.716 1.00 0.00 N ATOM 268 CA LYS A 21 -9.088 -1.433 -7.695 1.00 0.00 C ATOM 269 C LYS A 21 -7.677 -1.956 -7.444 1.00 0.00 C ATOM 270 O LYS A 21 -6.776 -1.754 -8.257 1.00 0.00 O ATOM 271 CB LYS A 21 -9.622 -1.989 -9.017 1.00 0.00 C ATOM 272 CG LYS A 21 -11.134 -1.922 -9.138 1.00 0.00 C ATOM 273 CD LYS A 21 -11.793 -3.187 -8.614 1.00 0.00 C ATOM 274 CE LYS A 21 -13.196 -2.912 -8.095 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.813 -4.126 -7.493 1.00 0.00 N ATOM 0 H LYS A 21 -9.114 0.433 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.731 -1.768 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.175 -1.434 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.303 -3.026 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.506 -1.061 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.410 -1.773 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.838 -3.931 -9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.185 -3.611 -7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.158 -2.117 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.822 -2.554 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.768 -3.897 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.873 -4.877 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.230 -4.453 -6.697 1.00 0.00 H new ATOM 289 N ALA A 22 -7.494 -2.631 -6.314 1.00 0.00 N ATOM 290 CA ALA A 22 -6.194 -3.187 -5.958 1.00 0.00 C ATOM 291 C ALA A 22 -6.346 -4.396 -5.041 1.00 0.00 C ATOM 292 O ALA A 22 -7.407 -4.613 -4.456 1.00 0.00 O ATOM 293 CB ALA A 22 -5.330 -2.125 -5.296 1.00 0.00 C ATOM 0 H ALA A 22 -8.229 -2.806 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.705 -3.519 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.362 -2.554 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.185 -1.293 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.823 -1.766 -4.393 1.00 0.00 H new ATOM 299 N MET A 23 -5.280 -5.179 -4.921 1.00 0.00 N ATOM 300 CA MET A 23 -5.295 -6.366 -4.074 1.00 0.00 C ATOM 301 C MET A 23 -6.614 -7.119 -4.218 1.00 0.00 C ATOM 302 O MET A 23 -7.090 -7.743 -3.270 1.00 0.00 O ATOM 303 CB MET A 23 -5.073 -5.978 -2.611 1.00 0.00 C ATOM 304 CG MET A 23 -3.874 -5.068 -2.399 1.00 0.00 C ATOM 305 SD MET A 23 -3.650 -4.605 -0.671 1.00 0.00 S ATOM 306 CE MET A 23 -2.052 -5.339 -0.329 1.00 0.00 C ATOM 0 H MET A 23 -4.395 -5.013 -5.399 1.00 0.00 H new ATOM 0 HA MET A 23 -4.485 -7.021 -4.395 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.967 -5.480 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.940 -6.884 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.975 -5.570 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.996 -4.167 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.773 -5.139 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.105 -6.416 -0.488 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.304 -4.910 -0.996 1.00 0.00 H new ATOM 316 N ASN A 24 -7.200 -7.055 -5.409 1.00 0.00 N ATOM 317 CA ASN A 24 -8.465 -7.731 -5.676 1.00 0.00 C ATOM 318 C ASN A 24 -9.580 -7.162 -4.804 1.00 0.00 C ATOM 319 O ASN A 24 -10.390 -7.905 -4.252 1.00 0.00 O ATOM 320 CB ASN A 24 -8.326 -9.234 -5.429 1.00 0.00 C ATOM 321 CG ASN A 24 -7.795 -9.973 -6.642 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.759 -10.633 -6.576 1.00 0.00 O ATOM 323 ND2 ASN A 24 -8.506 -9.864 -7.759 1.00 0.00 N ATOM 0 H ASN A 24 -6.820 -6.542 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.724 -7.564 -6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.657 -9.400 -4.584 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.297 -9.645 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.198 -10.339 -8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.360 -9.306 -7.768 1.00 0.00 H new ATOM 330 N ASN A 25 -9.614 -5.838 -4.685 1.00 0.00 N ATOM 331 CA ASN A 25 -10.630 -5.169 -3.880 1.00 0.00 C ATOM 332 C ASN A 25 -10.661 -3.673 -4.178 1.00 0.00 C ATOM 333 O ASN A 25 -9.709 -3.119 -4.728 1.00 0.00 O ATOM 334 CB ASN A 25 -10.363 -5.399 -2.391 1.00 0.00 C ATOM 335 CG ASN A 25 -10.772 -6.787 -1.938 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.944 -7.157 -2.013 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.804 -7.564 -1.466 1.00 0.00 N ATOM 0 H ASN A 25 -8.950 -5.208 -5.135 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.601 -5.593 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.302 -5.251 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.906 -4.655 -1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.018 -8.509 -1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.846 -7.216 -1.422 1.00 0.00 H new ATOM 344 N SER A 26 -11.761 -3.025 -3.810 1.00 0.00 N ATOM 345 CA SER A 26 -11.918 -1.593 -4.040 1.00 0.00 C ATOM 346 C SER A 26 -11.379 -0.791 -2.859 1.00 0.00 C ATOM 347 O SER A 26 -11.464 -1.224 -1.710 1.00 0.00 O ATOM 348 CB SER A 26 -13.391 -1.251 -4.273 1.00 0.00 C ATOM 349 OG SER A 26 -14.204 -1.761 -3.231 1.00 0.00 O ATOM 0 H SER A 26 -12.557 -3.468 -3.351 1.00 0.00 H new ATOM 0 HA SER A 26 -11.346 -1.328 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.511 -0.169 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.717 -1.664 -5.228 1.00 0.00 H new ATOM 0 HG SER A 26 -13.812 -1.524 -2.365 1.00 0.00 H new ATOM 355 N TRP A 27 -10.824 0.379 -3.152 1.00 0.00 N ATOM 356 CA TRP A 27 -10.270 1.243 -2.116 1.00 0.00 C ATOM 357 C TRP A 27 -10.399 2.712 -2.505 1.00 0.00 C ATOM 358 O TRP A 27 -10.818 3.035 -3.617 1.00 0.00 O ATOM 359 CB TRP A 27 -8.801 0.896 -1.865 1.00 0.00 C ATOM 360 CG TRP A 27 -8.531 -0.578 -1.867 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.786 -1.456 -2.881 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.954 -1.345 -0.805 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.403 -2.724 -2.513 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.888 -2.682 -1.244 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.484 -1.033 0.474 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.374 -3.702 -0.449 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.974 -2.046 1.262 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.921 -3.368 0.799 1.00 0.00 C ATOM 0 H TRP A 27 -10.746 0.751 -4.098 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.837 1.078 -1.200 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.187 1.372 -2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.495 1.313 -0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.224 -1.193 -3.832 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.488 -3.560 -3.091 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.519 -0.017 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.334 -4.721 -0.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.610 -1.816 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.515 -4.138 1.439 1.00 0.00 H new ATOM 379 N HIS A 28 -10.036 3.598 -1.583 1.00 0.00 N ATOM 380 CA HIS A 28 -10.111 5.033 -1.831 1.00 0.00 C ATOM 381 C HIS A 28 -8.802 5.552 -2.420 1.00 0.00 C ATOM 382 O HIS A 28 -7.738 4.955 -2.253 1.00 0.00 O ATOM 383 CB HIS A 28 -10.432 5.780 -0.536 1.00 0.00 C ATOM 384 CG HIS A 28 -11.867 5.669 -0.121 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.262 5.121 1.081 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.003 6.043 -0.754 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.580 5.159 1.168 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.054 5.715 0.067 1.00 0.00 N ATOM 0 H HIS A 28 -9.687 3.347 -0.658 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.909 5.211 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.800 5.393 0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.179 6.833 -0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.071 6.512 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.169 4.797 1.998 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.040 5.875 -0.140 1.00 0.00 H new ATOM 396 N PRO A 29 -8.880 6.689 -3.126 1.00 0.00 N ATOM 397 CA PRO A 29 -7.711 7.313 -3.754 1.00 0.00 C ATOM 398 C PRO A 29 -6.747 7.900 -2.729 1.00 0.00 C ATOM 399 O PRO A 29 -5.694 8.428 -3.086 1.00 0.00 O ATOM 400 CB PRO A 29 -8.320 8.424 -4.613 1.00 0.00 C ATOM 401 CG PRO A 29 -9.616 8.746 -3.952 1.00 0.00 C ATOM 402 CD PRO A 29 -10.115 7.455 -3.366 1.00 0.00 C ATOM 0 HA PRO A 29 -7.120 6.593 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.668 9.297 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.471 8.092 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.482 9.500 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.330 9.150 -4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.671 7.621 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.784 6.935 -4.052 1.00 0.00 H new ATOM 410 N GLU A 30 -7.114 7.804 -1.455 1.00 0.00 N ATOM 411 CA GLU A 30 -6.280 8.327 -0.379 1.00 0.00 C ATOM 412 C GLU A 30 -5.947 7.234 0.632 1.00 0.00 C ATOM 413 O GLU A 30 -4.947 7.316 1.345 1.00 0.00 O ATOM 414 CB GLU A 30 -6.984 9.490 0.323 1.00 0.00 C ATOM 415 CG GLU A 30 -8.332 9.115 0.916 1.00 0.00 C ATOM 416 CD GLU A 30 -9.219 10.321 1.156 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.785 11.242 1.879 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.347 10.345 0.621 1.00 0.00 O ATOM 0 H GLU A 30 -7.982 7.369 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.349 8.687 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.340 9.868 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.123 10.303 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.840 8.423 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.177 8.589 1.858 1.00 0.00 H new ATOM 425 N CYS A 31 -6.793 6.211 0.687 1.00 0.00 N ATOM 426 CA CYS A 31 -6.591 5.101 1.611 1.00 0.00 C ATOM 427 C CYS A 31 -5.449 4.204 1.143 1.00 0.00 C ATOM 428 O CYS A 31 -4.456 4.025 1.849 1.00 0.00 O ATOM 429 CB CYS A 31 -7.876 4.280 1.743 1.00 0.00 C ATOM 430 SG CYS A 31 -9.116 5.015 2.857 1.00 0.00 S ATOM 0 H CYS A 31 -7.625 6.127 0.103 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.329 5.515 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.319 4.156 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.623 3.284 2.105 1.00 0.00 H new ATOM 435 N PHE A 32 -5.595 3.644 -0.053 1.00 0.00 N ATOM 436 CA PHE A 32 -4.576 2.765 -0.616 1.00 0.00 C ATOM 437 C PHE A 32 -3.210 3.445 -0.613 1.00 0.00 C ATOM 438 O PHE A 32 -2.785 4.011 -1.621 1.00 0.00 O ATOM 439 CB PHE A 32 -4.954 2.360 -2.042 1.00 0.00 C ATOM 440 CG PHE A 32 -4.195 1.166 -2.547 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.243 -0.040 -1.867 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.434 1.250 -3.702 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.544 -1.140 -2.329 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.734 0.153 -4.169 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.790 -1.043 -3.482 1.00 0.00 C ATOM 0 H PHE A 32 -6.409 3.783 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.518 1.871 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.022 2.144 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.776 3.203 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.833 -0.122 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.387 2.183 -4.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.588 -2.074 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.144 0.232 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.245 -1.902 -3.846 1.00 0.00 H new ATOM 455 N ARG A 33 -2.529 3.386 0.526 1.00 0.00 N ATOM 456 CA ARG A 33 -1.212 3.997 0.661 1.00 0.00 C ATOM 457 C ARG A 33 -0.149 2.940 0.945 1.00 0.00 C ATOM 458 O ARG A 33 -0.461 1.763 1.130 1.00 0.00 O ATOM 459 CB ARG A 33 -1.222 5.038 1.782 1.00 0.00 C ATOM 460 CG ARG A 33 -2.163 6.203 1.522 1.00 0.00 C ATOM 461 CD ARG A 33 -2.139 7.205 2.666 1.00 0.00 C ATOM 462 NE ARG A 33 -3.106 6.869 3.708 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.315 7.617 4.786 1.00 0.00 C ATOM 464 NH1 ARG A 33 -2.629 8.738 4.962 1.00 0.00 N ATOM 465 NH2 ARG A 33 -4.212 7.245 5.689 1.00 0.00 N ATOM 0 H ARG A 33 -2.867 2.921 1.369 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.969 4.489 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.508 4.552 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.211 5.422 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.880 6.701 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.178 5.829 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.139 7.239 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.354 8.201 2.280 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.651 6.013 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.939 9.028 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.791 9.311 5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.742 6.384 5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.372 7.820 6.516 1.00 0.00 H new ATOM 479 N CYS A 34 1.109 3.367 0.976 1.00 0.00 N ATOM 480 CA CYS A 34 2.220 2.459 1.235 1.00 0.00 C ATOM 481 C CYS A 34 2.114 1.855 2.633 1.00 0.00 C ATOM 482 O CYS A 34 1.309 2.298 3.452 1.00 0.00 O ATOM 483 CB CYS A 34 3.553 3.194 1.084 1.00 0.00 C ATOM 484 SG CYS A 34 4.996 2.092 0.931 1.00 0.00 S ATOM 0 H CYS A 34 1.385 4.337 0.825 1.00 0.00 H new ATOM 0 HA CYS A 34 2.174 1.651 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.504 3.836 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.696 3.845 1.946 1.00 0.00 H new ATOM 489 N ASP A 35 2.932 0.843 2.897 1.00 0.00 N ATOM 490 CA ASP A 35 2.933 0.179 4.196 1.00 0.00 C ATOM 491 C ASP A 35 4.154 0.587 5.014 1.00 0.00 C ATOM 492 O ASP A 35 4.297 0.194 6.173 1.00 0.00 O ATOM 493 CB ASP A 35 2.907 -1.339 4.016 1.00 0.00 C ATOM 494 CG ASP A 35 2.571 -2.069 5.302 1.00 0.00 C ATOM 495 OD1 ASP A 35 1.528 -1.749 5.910 1.00 0.00 O ATOM 496 OD2 ASP A 35 3.349 -2.961 5.699 1.00 0.00 O ATOM 0 H ASP A 35 3.603 0.464 2.229 1.00 0.00 H new ATOM 0 HA ASP A 35 2.038 0.488 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.174 -1.599 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.878 -1.676 3.654 1.00 0.00 H new ATOM 501 N LEU A 36 5.032 1.376 4.404 1.00 0.00 N ATOM 502 CA LEU A 36 6.242 1.836 5.076 1.00 0.00 C ATOM 503 C LEU A 36 6.258 3.357 5.188 1.00 0.00 C ATOM 504 O LEU A 36 6.754 3.914 6.168 1.00 0.00 O ATOM 505 CB LEU A 36 7.482 1.356 4.320 1.00 0.00 C ATOM 506 CG LEU A 36 7.733 -0.152 4.332 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.486 -0.578 3.081 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.502 -0.556 5.582 1.00 0.00 C ATOM 0 H LEU A 36 4.929 1.710 3.446 1.00 0.00 H new ATOM 0 HA LEU A 36 6.252 1.416 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.400 1.682 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.355 1.853 4.742 1.00 0.00 H new ATOM 0 HG LEU A 36 6.769 -0.660 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.656 -1.654 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.898 -0.325 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.444 -0.061 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.671 -1.633 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.461 -0.038 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.925 -0.287 6.467 1.00 0.00 H new ATOM 520 N CYS A 37 5.710 4.025 4.178 1.00 0.00 N ATOM 521 CA CYS A 37 5.658 5.482 4.162 1.00 0.00 C ATOM 522 C CYS A 37 4.224 5.974 3.991 1.00 0.00 C ATOM 523 O CYS A 37 3.967 7.177 3.988 1.00 0.00 O ATOM 524 CB CYS A 37 6.535 6.032 3.036 1.00 0.00 C ATOM 525 SG CYS A 37 5.902 5.684 1.363 1.00 0.00 S ATOM 0 H CYS A 37 5.295 3.580 3.359 1.00 0.00 H new ATOM 0 HA CYS A 37 6.036 5.844 5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.632 7.111 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.535 5.609 3.130 1.00 0.00 H new ATOM 530 N GLN A 38 3.295 5.034 3.850 1.00 0.00 N ATOM 531 CA GLN A 38 1.887 5.372 3.678 1.00 0.00 C ATOM 532 C GLN A 38 1.710 6.438 2.602 1.00 0.00 C ATOM 533 O GLN A 38 1.113 7.486 2.846 1.00 0.00 O ATOM 534 CB GLN A 38 1.293 5.862 5.000 1.00 0.00 C ATOM 535 CG GLN A 38 1.675 5.002 6.194 1.00 0.00 C ATOM 536 CD GLN A 38 0.669 3.901 6.466 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.527 4.158 6.603 1.00 0.00 O ATOM 538 NE2 GLN A 38 1.150 2.666 6.545 1.00 0.00 N ATOM 0 H GLN A 38 3.492 4.033 3.851 1.00 0.00 H new ATOM 0 HA GLN A 38 1.360 4.472 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.622 6.885 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.207 5.887 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.655 4.558 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.765 5.633 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.149 2.499 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.520 1.884 6.726 1.00 0.00 H new ATOM 547 N GLU A 39 2.234 6.163 1.411 1.00 0.00 N ATOM 548 CA GLU A 39 2.135 7.100 0.298 1.00 0.00 C ATOM 549 C GLU A 39 1.073 6.648 -0.700 1.00 0.00 C ATOM 550 O GLU A 39 1.165 5.562 -1.272 1.00 0.00 O ATOM 551 CB GLU A 39 3.487 7.236 -0.405 1.00 0.00 C ATOM 552 CG GLU A 39 3.417 8.003 -1.714 1.00 0.00 C ATOM 553 CD GLU A 39 4.753 8.599 -2.114 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.750 7.846 -2.151 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.803 9.816 -2.388 1.00 0.00 O ATOM 0 H GLU A 39 2.731 5.299 1.193 1.00 0.00 H new ATOM 0 HA GLU A 39 1.843 8.071 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.186 7.738 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.889 6.241 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.070 7.336 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.680 8.801 -1.624 1.00 0.00 H new ATOM 562 N VAL A 40 0.064 7.489 -0.904 1.00 0.00 N ATOM 563 CA VAL A 40 -1.016 7.178 -1.833 1.00 0.00 C ATOM 564 C VAL A 40 -0.481 6.497 -3.088 1.00 0.00 C ATOM 565 O VAL A 40 0.199 7.120 -3.904 1.00 0.00 O ATOM 566 CB VAL A 40 -1.789 8.446 -2.240 1.00 0.00 C ATOM 567 CG1 VAL A 40 -3.032 8.081 -3.037 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.156 9.263 -1.010 1.00 0.00 C ATOM 0 H VAL A 40 -0.028 8.392 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.694 6.499 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.145 9.055 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.565 8.990 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.741 7.540 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.682 7.451 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.702 10.156 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.782 8.664 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.248 9.556 -0.483 1.00 0.00 H new ATOM 578 N LEU A 41 -0.794 5.214 -3.237 1.00 0.00 N ATOM 579 CA LEU A 41 -0.346 4.447 -4.394 1.00 0.00 C ATOM 580 C LEU A 41 -1.473 4.284 -5.409 1.00 0.00 C ATOM 581 O LEU A 41 -1.618 3.230 -6.026 1.00 0.00 O ATOM 582 CB LEU A 41 0.162 3.073 -3.954 1.00 0.00 C ATOM 583 CG LEU A 41 0.816 3.010 -2.573 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.797 1.586 -2.038 1.00 0.00 C ATOM 585 CD2 LEU A 41 2.242 3.539 -2.634 1.00 0.00 C ATOM 0 H LEU A 41 -1.356 4.684 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 41 0.469 4.994 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.676 2.376 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.883 2.721 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 41 0.244 3.640 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.266 1.560 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.234 1.241 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.345 0.934 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.692 3.487 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.825 2.935 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.232 4.575 -2.974 1.00 0.00 H new ATOM 597 N ALA A 42 -2.267 5.337 -5.578 1.00 0.00 N ATOM 598 CA ALA A 42 -3.378 5.312 -6.521 1.00 0.00 C ATOM 599 C ALA A 42 -2.891 5.534 -7.949 1.00 0.00 C ATOM 600 O ALA A 42 -3.163 4.730 -8.840 1.00 0.00 O ATOM 601 CB ALA A 42 -4.413 6.362 -6.145 1.00 0.00 C ATOM 0 H ALA A 42 -2.161 6.217 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.842 4.327 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.237 6.332 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.792 6.157 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.953 7.350 -6.164 1.00 0.00 H new ATOM 607 N ASP A 43 -2.169 6.630 -8.159 1.00 0.00 N ATOM 608 CA ASP A 43 -1.644 6.957 -9.479 1.00 0.00 C ATOM 609 C ASP A 43 -0.211 6.458 -9.633 1.00 0.00 C ATOM 610 O ASP A 43 0.093 5.685 -10.542 1.00 0.00 O ATOM 611 CB ASP A 43 -1.698 8.468 -9.713 1.00 0.00 C ATOM 612 CG ASP A 43 -3.115 9.007 -9.689 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.834 8.745 -8.702 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.506 9.691 -10.658 1.00 0.00 O ATOM 0 H ASP A 43 -1.934 7.306 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.265 6.459 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.107 8.973 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.240 8.701 -10.674 1.00 0.00 H new ATOM 619 N ILE A 44 0.665 6.905 -8.740 1.00 0.00 N ATOM 620 CA ILE A 44 2.066 6.503 -8.776 1.00 0.00 C ATOM 621 C ILE A 44 2.200 4.993 -8.944 1.00 0.00 C ATOM 622 O ILE A 44 3.177 4.506 -9.512 1.00 0.00 O ATOM 623 CB ILE A 44 2.809 6.934 -7.498 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.152 6.311 -6.265 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.831 8.451 -7.385 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.017 6.367 -5.026 1.00 0.00 C ATOM 0 H ILE A 44 0.430 7.546 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 44 2.516 7.003 -9.634 1.00 0.00 H new ATOM 0 HB ILE A 44 3.838 6.579 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.212 6.825 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.907 5.271 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.360 8.741 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.340 8.873 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.809 8.828 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.487 5.907 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.947 5.828 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.241 7.406 -4.785 1.00 0.00 H new ATOM 638 N GLY A 45 1.211 4.257 -8.448 1.00 0.00 N ATOM 639 CA GLY A 45 1.237 2.810 -8.554 1.00 0.00 C ATOM 640 C GLY A 45 1.715 2.144 -7.280 1.00 0.00 C ATOM 641 O GLY A 45 2.264 2.801 -6.395 1.00 0.00 O ATOM 0 H GLY A 45 0.392 4.637 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.238 2.449 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.889 2.521 -9.378 1.00 0.00 H new ATOM 645 N PHE A 46 1.507 0.835 -7.184 1.00 0.00 N ATOM 646 CA PHE A 46 1.919 0.079 -6.007 1.00 0.00 C ATOM 647 C PHE A 46 2.643 -1.203 -6.410 1.00 0.00 C ATOM 648 O PHE A 46 2.568 -1.637 -7.559 1.00 0.00 O ATOM 649 CB PHE A 46 0.704 -0.260 -5.141 1.00 0.00 C ATOM 650 CG PHE A 46 -0.252 -1.215 -5.796 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.031 -0.811 -6.868 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.372 -2.518 -5.340 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.912 -1.688 -7.474 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.250 -3.400 -5.942 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.022 -2.984 -7.009 1.00 0.00 C ATOM 0 H PHE A 46 1.055 0.276 -7.907 1.00 0.00 H new ATOM 0 HA PHE A 46 2.606 0.698 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.047 -0.690 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.174 0.661 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.949 0.201 -7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.227 -2.848 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.513 -1.360 -8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.332 -4.414 -5.578 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.710 -3.671 -7.479 1.00 0.00 H new ATOM 665 N VAL A 47 3.346 -1.803 -5.454 1.00 0.00 N ATOM 666 CA VAL A 47 4.084 -3.035 -5.708 1.00 0.00 C ATOM 667 C VAL A 47 3.765 -4.093 -4.657 1.00 0.00 C ATOM 668 O VAL A 47 4.299 -4.064 -3.549 1.00 0.00 O ATOM 669 CB VAL A 47 5.603 -2.785 -5.724 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.351 -4.064 -6.069 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.950 -1.674 -6.704 1.00 0.00 C ATOM 0 H VAL A 47 3.420 -1.456 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 47 3.772 -3.395 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 47 5.912 -2.469 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.423 -3.868 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.127 -4.829 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.040 -4.413 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.028 -1.511 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.628 -1.959 -7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.443 -0.756 -6.407 1.00 0.00 H new ATOM 681 N LYS A 48 2.889 -5.027 -5.013 1.00 0.00 N ATOM 682 CA LYS A 48 2.499 -6.097 -4.103 1.00 0.00 C ATOM 683 C LYS A 48 3.726 -6.807 -3.540 1.00 0.00 C ATOM 684 O LYS A 48 4.654 -7.139 -4.275 1.00 0.00 O ATOM 685 CB LYS A 48 1.599 -7.104 -4.822 1.00 0.00 C ATOM 686 CG LYS A 48 0.117 -6.804 -4.682 1.00 0.00 C ATOM 687 CD LYS A 48 -0.402 -7.187 -3.306 1.00 0.00 C ATOM 688 CE LYS A 48 -0.682 -8.679 -3.212 1.00 0.00 C ATOM 689 NZ LYS A 48 -2.048 -9.019 -3.698 1.00 0.00 N ATOM 0 H LYS A 48 2.436 -5.064 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 48 1.947 -5.652 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.859 -7.120 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.798 -8.101 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.058 -5.742 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.439 -7.348 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.329 -6.904 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.314 -6.630 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.058 -9.225 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.573 -9.004 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.200 -10.045 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.756 -8.518 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.144 -8.732 -4.693 1.00 0.00 H new ATOM 703 N ASN A 49 3.722 -7.038 -2.231 1.00 0.00 N ATOM 704 CA ASN A 49 4.834 -7.710 -1.570 1.00 0.00 C ATOM 705 C ASN A 49 4.425 -8.208 -0.187 1.00 0.00 C ATOM 706 O ASN A 49 3.857 -7.461 0.609 1.00 0.00 O ATOM 707 CB ASN A 49 6.031 -6.764 -1.451 1.00 0.00 C ATOM 708 CG ASN A 49 7.348 -7.508 -1.346 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.480 -8.631 -1.833 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.331 -6.884 -0.708 1.00 0.00 N ATOM 0 H ASN A 49 2.961 -6.770 -1.607 1.00 0.00 H new ATOM 0 HA ASN A 49 5.118 -8.570 -2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.057 -6.105 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.904 -6.130 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.240 -7.335 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.177 -5.953 -0.320 1.00 0.00 H new ATOM 717 N ALA A 50 4.720 -9.473 0.092 1.00 0.00 N ATOM 718 CA ALA A 50 4.386 -10.070 1.379 1.00 0.00 C ATOM 719 C ALA A 50 2.969 -9.699 1.805 1.00 0.00 C ATOM 720 O ALA A 50 2.704 -9.474 2.985 1.00 0.00 O ATOM 721 CB ALA A 50 5.388 -9.636 2.438 1.00 0.00 C ATOM 0 H ALA A 50 5.190 -10.105 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 50 4.433 -11.154 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.126 -10.089 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.388 -9.957 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.369 -8.550 2.534 1.00 0.00 H new ATOM 727 N GLY A 51 2.062 -9.635 0.835 1.00 0.00 N ATOM 728 CA GLY A 51 0.684 -9.290 1.130 1.00 0.00 C ATOM 729 C GLY A 51 0.537 -7.867 1.632 1.00 0.00 C ATOM 730 O GLY A 51 -0.324 -7.581 2.464 1.00 0.00 O ATOM 0 H GLY A 51 2.257 -9.816 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.080 -9.419 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.293 -9.978 1.879 1.00 0.00 H new ATOM 734 N ARG A 52 1.381 -6.973 1.126 1.00 0.00 N ATOM 735 CA ARG A 52 1.343 -5.573 1.531 1.00 0.00 C ATOM 736 C ARG A 52 1.587 -4.655 0.336 1.00 0.00 C ATOM 737 O ARG A 52 2.322 -5.004 -0.588 1.00 0.00 O ATOM 738 CB ARG A 52 2.389 -5.305 2.615 1.00 0.00 C ATOM 739 CG ARG A 52 2.269 -6.227 3.818 1.00 0.00 C ATOM 740 CD ARG A 52 3.554 -6.252 4.630 1.00 0.00 C ATOM 741 NE ARG A 52 3.547 -7.315 5.632 1.00 0.00 N ATOM 742 CZ ARG A 52 4.272 -7.281 6.745 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.056 -6.242 6.997 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.212 -8.287 7.608 1.00 0.00 N ATOM 0 H ARG A 52 2.099 -7.193 0.436 1.00 0.00 H new ATOM 0 HA ARG A 52 0.352 -5.363 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.384 -5.413 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.297 -4.272 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.444 -5.897 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.030 -7.236 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.403 -6.390 3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.690 -5.290 5.123 1.00 0.00 H new ATOM 0 HE ARG A 52 2.953 -8.128 5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.103 -5.467 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.612 -6.218 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.609 -9.087 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.769 -8.260 8.462 1.00 0.00 H new ATOM 758 N HIS A 53 0.964 -3.481 0.362 1.00 0.00 N ATOM 759 CA HIS A 53 1.114 -2.512 -0.718 1.00 0.00 C ATOM 760 C HIS A 53 2.270 -1.558 -0.436 1.00 0.00 C ATOM 761 O HIS A 53 2.249 -0.814 0.546 1.00 0.00 O ATOM 762 CB HIS A 53 -0.182 -1.722 -0.906 1.00 0.00 C ATOM 763 CG HIS A 53 -0.744 -1.182 0.373 1.00 0.00 C ATOM 764 ND1 HIS A 53 -0.022 -1.121 1.546 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.967 -0.676 0.658 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.777 -0.601 2.498 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.962 -0.322 1.985 1.00 0.00 N ATOM 0 H HIS A 53 0.351 -3.178 1.119 1.00 0.00 H new ATOM 0 HA HIS A 53 1.334 -3.058 -1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.003 -0.894 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.925 -2.365 -1.377 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.944 -1.429 1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.793 -0.570 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.476 -0.433 3.522 1.00 0.00 H new ATOM 776 N LEU A 54 3.277 -1.584 -1.302 1.00 0.00 N ATOM 777 CA LEU A 54 4.443 -0.721 -1.146 1.00 0.00 C ATOM 778 C LEU A 54 4.676 0.112 -2.403 1.00 0.00 C ATOM 779 O LEU A 54 4.224 -0.247 -3.491 1.00 0.00 O ATOM 780 CB LEU A 54 5.684 -1.559 -0.838 1.00 0.00 C ATOM 781 CG LEU A 54 5.460 -2.797 0.031 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.748 -3.594 0.168 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.929 -2.399 1.400 1.00 0.00 C ATOM 0 H LEU A 54 3.310 -2.193 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 54 4.254 -0.043 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.126 -1.878 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.415 -0.920 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 54 4.716 -3.428 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.569 -4.471 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.086 -3.911 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.514 -2.971 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.776 -3.293 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.649 -1.746 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.982 -1.873 1.284 1.00 0.00 H new ATOM 795 N CYS A 55 5.386 1.224 -2.246 1.00 0.00 N ATOM 796 CA CYS A 55 5.682 2.107 -3.368 1.00 0.00 C ATOM 797 C CYS A 55 7.076 1.831 -3.925 1.00 0.00 C ATOM 798 O CYS A 55 7.980 1.428 -3.192 1.00 0.00 O ATOM 799 CB CYS A 55 5.576 3.570 -2.933 1.00 0.00 C ATOM 800 SG CYS A 55 6.875 4.097 -1.770 1.00 0.00 S ATOM 0 H CYS A 55 5.767 1.535 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 55 4.951 1.913 -4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.617 4.205 -3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.602 3.730 -2.470 1.00 0.00 H new ATOM 805 N ARG A 56 7.241 2.051 -5.225 1.00 0.00 N ATOM 806 CA ARG A 56 8.524 1.825 -5.881 1.00 0.00 C ATOM 807 C ARG A 56 9.680 2.216 -4.964 1.00 0.00 C ATOM 808 O ARG A 56 10.609 1.443 -4.733 1.00 0.00 O ATOM 809 CB ARG A 56 8.601 2.621 -7.185 1.00 0.00 C ATOM 810 CG ARG A 56 8.264 1.801 -8.420 1.00 0.00 C ATOM 811 CD ARG A 56 8.730 2.491 -9.691 1.00 0.00 C ATOM 812 NE ARG A 56 8.277 3.878 -9.759 1.00 0.00 N ATOM 813 CZ ARG A 56 8.144 4.553 -10.895 1.00 0.00 C ATOM 814 NH1 ARG A 56 8.428 3.972 -12.053 1.00 0.00 N ATOM 815 NH2 ARG A 56 7.727 5.812 -10.875 1.00 0.00 N ATOM 0 H ARG A 56 6.503 2.385 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 56 8.606 0.762 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.918 3.468 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.606 3.029 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.732 0.819 -8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.187 1.638 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.818 2.462 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.357 1.945 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 56 8.050 4.354 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.750 3.004 -12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.325 4.493 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.508 6.263 -9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.625 6.329 -11.748 1.00 0.00 H new ATOM 829 N PRO A 57 9.622 3.445 -4.431 1.00 0.00 N ATOM 830 CA PRO A 57 10.655 3.967 -3.531 1.00 0.00 C ATOM 831 C PRO A 57 11.016 2.979 -2.427 1.00 0.00 C ATOM 832 O PRO A 57 12.152 2.512 -2.345 1.00 0.00 O ATOM 833 CB PRO A 57 10.008 5.221 -2.937 1.00 0.00 C ATOM 834 CG PRO A 57 9.014 5.655 -3.958 1.00 0.00 C ATOM 835 CD PRO A 57 8.543 4.420 -4.663 1.00 0.00 C ATOM 0 HA PRO A 57 11.591 4.161 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.527 5.004 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.749 5.998 -2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.178 6.173 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.465 6.353 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.593 4.068 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.390 4.601 -5.727 1.00 0.00 H new ATOM 843 N CYS A 58 10.042 2.665 -1.580 1.00 0.00 N ATOM 844 CA CYS A 58 10.256 1.732 -0.480 1.00 0.00 C ATOM 845 C CYS A 58 10.634 0.350 -1.005 1.00 0.00 C ATOM 846 O CYS A 58 11.752 -0.122 -0.793 1.00 0.00 O ATOM 847 CB CYS A 58 8.998 1.634 0.386 1.00 0.00 C ATOM 848 SG CYS A 58 8.522 3.201 1.184 1.00 0.00 S ATOM 0 H CYS A 58 9.096 3.043 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 58 11.079 2.108 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.170 1.287 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.158 0.880 1.157 1.00 0.00 H new ATOM 853 N HIS A 59 9.695 -0.294 -1.691 1.00 0.00 N ATOM 854 CA HIS A 59 9.930 -1.622 -2.247 1.00 0.00 C ATOM 855 C HIS A 59 11.351 -1.741 -2.789 1.00 0.00 C ATOM 856 O HIS A 59 12.046 -2.721 -2.526 1.00 0.00 O ATOM 857 CB HIS A 59 8.921 -1.918 -3.358 1.00 0.00 C ATOM 858 CG HIS A 59 9.135 -3.243 -4.023 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.952 -4.447 -3.378 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.518 -3.548 -5.285 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.214 -5.436 -4.214 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.559 -4.917 -5.378 1.00 0.00 N ATOM 0 H HIS A 59 8.765 0.082 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 59 9.803 -2.352 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.914 -1.888 -2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.978 -1.130 -4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.748 -2.845 -6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.156 -6.490 -3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.815 -5.447 -6.211 1.00 0.00 H new ATOM 871 N ASN A 60 11.775 -0.735 -3.548 1.00 0.00 N ATOM 872 CA ASN A 60 13.113 -0.728 -4.128 1.00 0.00 C ATOM 873 C ASN A 60 14.180 -0.748 -3.037 1.00 0.00 C ATOM 874 O ASN A 60 15.200 -1.425 -3.165 1.00 0.00 O ATOM 875 CB ASN A 60 13.300 0.504 -5.016 1.00 0.00 C ATOM 876 CG ASN A 60 12.658 0.336 -6.380 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.796 -0.708 -7.019 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.951 1.365 -6.832 1.00 0.00 N ATOM 0 H ASN A 60 11.212 0.085 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 60 13.223 -1.626 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.871 1.375 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.365 0.701 -5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.495 1.310 -7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.864 2.211 -6.268 1.00 0.00 H new ATOM 885 N ARG A 61 13.935 -0.002 -1.965 1.00 0.00 N ATOM 886 CA ARG A 61 14.874 0.067 -0.852 1.00 0.00 C ATOM 887 C ARG A 61 15.036 -1.300 -0.192 1.00 0.00 C ATOM 888 O ARG A 61 16.130 -1.668 0.234 1.00 0.00 O ATOM 889 CB ARG A 61 14.400 1.091 0.181 1.00 0.00 C ATOM 890 CG ARG A 61 14.606 2.533 -0.253 1.00 0.00 C ATOM 891 CD ARG A 61 14.053 3.508 0.774 1.00 0.00 C ATOM 892 NE ARG A 61 15.027 3.813 1.819 1.00 0.00 N ATOM 893 CZ ARG A 61 14.696 4.276 3.019 1.00 0.00 C ATOM 894 NH1 ARG A 61 13.424 4.486 3.325 1.00 0.00 N ATOM 895 NH2 ARG A 61 15.640 4.530 3.917 1.00 0.00 N ATOM 0 H ARG A 61 13.094 0.563 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 61 15.842 0.379 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.341 0.929 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.932 0.923 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.670 2.722 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.118 2.698 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.756 4.430 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.155 3.087 1.227 1.00 0.00 H new ATOM 0 HE ARG A 61 16.015 3.662 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.695 4.292 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.173 4.842 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.620 4.370 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.385 4.886 4.838 1.00 0.00 H new ATOM 909 N GLU A 62 13.938 -2.045 -0.110 1.00 0.00 N ATOM 910 CA GLU A 62 13.958 -3.370 0.500 1.00 0.00 C ATOM 911 C GLU A 62 14.632 -4.382 -0.421 1.00 0.00 C ATOM 912 O GLU A 62 15.713 -4.890 -0.120 1.00 0.00 O ATOM 913 CB GLU A 62 12.535 -3.828 0.825 1.00 0.00 C ATOM 914 CG GLU A 62 11.676 -2.744 1.455 1.00 0.00 C ATOM 915 CD GLU A 62 11.818 -2.691 2.964 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.844 -2.165 3.444 1.00 0.00 O ATOM 917 OE2 GLU A 62 10.904 -3.174 3.664 1.00 0.00 O ATOM 0 H GLU A 62 13.024 -1.754 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 62 14.532 -3.308 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.055 -4.174 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.582 -4.681 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.951 -1.777 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.631 -2.918 1.198 1.00 0.00 H new ATOM 924 N LYS A 63 13.987 -4.672 -1.546 1.00 0.00 N ATOM 925 CA LYS A 63 14.522 -5.622 -2.513 1.00 0.00 C ATOM 926 C LYS A 63 15.984 -5.319 -2.823 1.00 0.00 C ATOM 927 O LYS A 63 16.766 -6.222 -3.117 1.00 0.00 O ATOM 928 CB LYS A 63 13.698 -5.587 -3.803 1.00 0.00 C ATOM 929 CG LYS A 63 13.823 -4.281 -4.568 1.00 0.00 C ATOM 930 CD LYS A 63 12.743 -4.152 -5.630 1.00 0.00 C ATOM 931 CE LYS A 63 13.095 -4.942 -6.881 1.00 0.00 C ATOM 932 NZ LYS A 63 14.011 -4.183 -7.777 1.00 0.00 N ATOM 0 H LYS A 63 13.091 -4.262 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 63 14.461 -6.619 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.012 -6.408 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.649 -5.757 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.754 -3.443 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.805 -4.226 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.793 -4.507 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.608 -3.102 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.564 -5.884 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.182 -5.191 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.227 -4.755 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.554 -3.296 -8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.893 -3.967 -7.270 1.00 0.00 H new ATOM 946 N ALA A 64 16.347 -4.043 -2.752 1.00 0.00 N ATOM 947 CA ALA A 64 17.716 -3.621 -3.021 1.00 0.00 C ATOM 948 C ALA A 64 18.719 -4.629 -2.469 1.00 0.00 C ATOM 949 O ALA A 64 18.715 -4.933 -1.276 1.00 0.00 O ATOM 950 CB ALA A 64 17.970 -2.243 -2.430 1.00 0.00 C ATOM 0 H ALA A 64 15.711 -3.283 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 64 17.849 -3.570 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.996 -1.941 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.282 -1.524 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.813 -2.275 -1.352 1.00 0.00 H new ATOM 956 N SER A 65 19.576 -5.144 -3.345 1.00 0.00 N ATOM 957 CA SER A 65 20.582 -6.121 -2.945 1.00 0.00 C ATOM 958 C SER A 65 21.822 -5.428 -2.388 1.00 0.00 C ATOM 959 O SER A 65 22.836 -5.303 -3.073 1.00 0.00 O ATOM 960 CB SER A 65 20.967 -7.003 -4.135 1.00 0.00 C ATOM 961 OG SER A 65 20.108 -8.125 -4.237 1.00 0.00 O ATOM 0 H SER A 65 19.594 -4.901 -4.336 1.00 0.00 H new ATOM 0 HA SER A 65 20.155 -6.746 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.919 -6.420 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 65 21.998 -7.339 -4.024 1.00 0.00 H new ATOM 0 HG SER A 65 20.374 -8.672 -5.006 1.00 0.00 H new ATOM 967 N GLY A 66 21.731 -4.979 -1.140 1.00 0.00 N ATOM 968 CA GLY A 66 22.851 -4.304 -0.511 1.00 0.00 C ATOM 969 C GLY A 66 23.624 -5.212 0.425 1.00 0.00 C ATOM 970 O GLY A 66 23.232 -6.350 0.684 1.00 0.00 O ATOM 0 H GLY A 66 20.902 -5.071 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 66 23.522 -3.926 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.485 -3.441 0.045 1.00 0.00 H new ATOM 974 N PRO A 67 24.751 -4.707 0.948 1.00 0.00 N ATOM 975 CA PRO A 67 25.605 -5.465 1.867 1.00 0.00 C ATOM 976 C PRO A 67 24.950 -5.672 3.229 1.00 0.00 C ATOM 977 O PRO A 67 25.551 -6.249 4.135 1.00 0.00 O ATOM 978 CB PRO A 67 26.850 -4.584 2.001 1.00 0.00 C ATOM 979 CG PRO A 67 26.373 -3.205 1.702 1.00 0.00 C ATOM 980 CD PRO A 67 25.278 -3.358 0.682 1.00 0.00 C ATOM 0 HA PRO A 67 25.814 -6.469 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 67 27.274 -4.648 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 67 27.630 -4.893 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 67 26.002 -2.716 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 67 27.183 -2.587 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 67 24.509 -2.595 0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 67 25.661 -3.269 -0.335 1.00 0.00 H new ATOM 988 N SER A 68 23.716 -5.199 3.365 1.00 0.00 N ATOM 989 CA SER A 68 22.981 -5.330 4.617 1.00 0.00 C ATOM 990 C SER A 68 23.260 -6.680 5.272 1.00 0.00 C ATOM 991 O SER A 68 23.650 -6.747 6.438 1.00 0.00 O ATOM 992 CB SER A 68 21.479 -5.172 4.371 1.00 0.00 C ATOM 993 OG SER A 68 20.742 -5.369 5.565 1.00 0.00 O ATOM 0 H SER A 68 23.204 -4.721 2.623 1.00 0.00 H new ATOM 0 HA SER A 68 23.317 -4.541 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.275 -4.177 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.154 -5.889 3.617 1.00 0.00 H new ATOM 0 HG SER A 68 19.786 -5.261 5.381 1.00 0.00 H new ATOM 999 N SER A 69 23.058 -7.752 4.514 1.00 0.00 N ATOM 1000 CA SER A 69 23.285 -9.101 5.021 1.00 0.00 C ATOM 1001 C SER A 69 24.533 -9.149 5.896 1.00 0.00 C ATOM 1002 O SER A 69 24.519 -9.720 6.986 1.00 0.00 O ATOM 1003 CB SER A 69 23.423 -10.088 3.860 1.00 0.00 C ATOM 1004 OG SER A 69 22.152 -10.498 3.386 1.00 0.00 O ATOM 0 H SER A 69 22.738 -7.714 3.546 1.00 0.00 H new ATOM 0 HA SER A 69 22.426 -9.384 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.985 -9.624 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.992 -10.959 4.185 1.00 0.00 H new ATOM 0 HG SER A 69 22.267 -11.127 2.643 1.00 0.00 H new ATOM 1010 N GLY A 70 25.614 -8.546 5.409 1.00 0.00 N ATOM 1011 CA GLY A 70 26.856 -8.532 6.159 1.00 0.00 C ATOM 1012 C GLY A 70 26.815 -7.573 7.332 1.00 0.00 C ATOM 1013 O GLY A 70 27.475 -6.537 7.282 1.00 0.00 O ATOM 0 H GLY A 70 25.651 -8.067 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.068 -9.537 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 70 27.675 -8.254 5.495 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.160 4.133 2.515 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.667 3.670 0.424 1.00 0.00 ZN