USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 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 49 ASN : amide:sc= -1.22 X(o=-8.4,f=-8.7) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -7.15! C(o=-8.4!,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.77 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.094) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 176:sc= -1.74 (180deg=-1.78) USER MOD Single : A 24 ASN : amide:sc= -0.0583 K(o=-0.058,f=-1) USER MOD Single : A 25 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.4!) USER MOD Single : A 26 SER OG : rot 38:sc= 0.475 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.0138 (180deg=-0.847) USER MOD Single : A 53 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-7.9!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1 F(o=-1.5,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0527) 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 -22.625 -14.884 3.248 1.00 0.00 N ATOM 2 CA GLY A 1 -23.776 -14.097 3.651 1.00 0.00 C ATOM 3 C GLY A 1 -23.865 -12.778 2.909 1.00 0.00 C ATOM 4 O GLY A 1 -24.152 -12.750 1.712 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.609 -15.775 3.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.686 -15.092 2.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.754 -14.349 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.685 -14.672 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.724 -13.905 4.723 1.00 0.00 H new ATOM 8 N SER A 2 -23.621 -11.682 3.621 1.00 0.00 N ATOM 9 CA SER A 2 -23.681 -10.354 3.023 1.00 0.00 C ATOM 10 C SER A 2 -22.347 -9.629 3.176 1.00 0.00 C ATOM 11 O SER A 2 -22.031 -9.106 4.245 1.00 0.00 O ATOM 12 CB SER A 2 -24.798 -9.531 3.669 1.00 0.00 C ATOM 13 OG SER A 2 -24.590 -9.394 5.064 1.00 0.00 O ATOM 0 H SER A 2 -23.380 -11.688 4.612 1.00 0.00 H new ATOM 0 HA SER A 2 -23.892 -10.470 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.842 -8.545 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.759 -10.011 3.487 1.00 0.00 H new ATOM 0 HG SER A 2 -23.628 -9.363 5.250 1.00 0.00 H new ATOM 19 N SER A 3 -21.568 -9.603 2.099 1.00 0.00 N ATOM 20 CA SER A 3 -20.267 -8.946 2.113 1.00 0.00 C ATOM 21 C SER A 3 -20.329 -7.600 1.397 1.00 0.00 C ATOM 22 O SER A 3 -19.814 -6.598 1.890 1.00 0.00 O ATOM 23 CB SER A 3 -19.214 -9.839 1.452 1.00 0.00 C ATOM 24 OG SER A 3 -19.049 -11.049 2.171 1.00 0.00 O ATOM 0 H SER A 3 -21.816 -10.029 1.206 1.00 0.00 H new ATOM 0 HA SER A 3 -19.987 -8.773 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.511 -10.059 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.263 -9.309 1.402 1.00 0.00 H new ATOM 0 HG SER A 3 -18.373 -11.603 1.728 1.00 0.00 H new ATOM 30 N GLY A 4 -20.966 -7.587 0.230 1.00 0.00 N ATOM 31 CA GLY A 4 -21.085 -6.360 -0.536 1.00 0.00 C ATOM 32 C GLY A 4 -20.401 -6.450 -1.886 1.00 0.00 C ATOM 33 O GLY A 4 -19.445 -7.206 -2.055 1.00 0.00 O ATOM 0 H GLY A 4 -21.402 -8.404 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.140 -6.127 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.652 -5.537 0.033 1.00 0.00 H new ATOM 37 N SER A 5 -20.894 -5.678 -2.850 1.00 0.00 N ATOM 38 CA SER A 5 -20.327 -5.678 -4.193 1.00 0.00 C ATOM 39 C SER A 5 -19.011 -4.907 -4.228 1.00 0.00 C ATOM 40 O SER A 5 -17.979 -5.436 -4.638 1.00 0.00 O ATOM 41 CB SER A 5 -21.316 -5.067 -5.187 1.00 0.00 C ATOM 42 OG SER A 5 -22.257 -6.031 -5.628 1.00 0.00 O ATOM 0 H SER A 5 -21.684 -5.045 -2.726 1.00 0.00 H new ATOM 0 HA SER A 5 -20.129 -6.712 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.838 -4.232 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.774 -4.665 -6.043 1.00 0.00 H new ATOM 0 HG SER A 5 -22.879 -5.615 -6.261 1.00 0.00 H new ATOM 48 N SER A 6 -19.058 -3.651 -3.795 1.00 0.00 N ATOM 49 CA SER A 6 -17.871 -2.803 -3.779 1.00 0.00 C ATOM 50 C SER A 6 -17.755 -2.055 -2.455 1.00 0.00 C ATOM 51 O SER A 6 -18.630 -2.152 -1.595 1.00 0.00 O ATOM 52 CB SER A 6 -17.916 -1.806 -4.939 1.00 0.00 C ATOM 53 OG SER A 6 -17.953 -2.476 -6.187 1.00 0.00 O ATOM 0 H SER A 6 -19.905 -3.198 -3.451 1.00 0.00 H new ATOM 0 HA SER A 6 -16.996 -3.443 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.794 -1.167 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.042 -1.156 -4.898 1.00 0.00 H new ATOM 0 HG SER A 6 -17.983 -1.817 -6.911 1.00 0.00 H new ATOM 59 N GLY A 7 -16.666 -1.309 -2.297 1.00 0.00 N ATOM 60 CA GLY A 7 -16.454 -0.555 -1.076 1.00 0.00 C ATOM 61 C GLY A 7 -15.018 -0.623 -0.594 1.00 0.00 C ATOM 62 O GLY A 7 -14.402 -1.689 -0.606 1.00 0.00 O ATOM 0 H GLY A 7 -15.927 -1.214 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.729 0.486 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.114 -0.938 -0.297 1.00 0.00 H new ATOM 66 N CYS A 8 -14.483 0.517 -0.171 1.00 0.00 N ATOM 67 CA CYS A 8 -13.110 0.584 0.314 1.00 0.00 C ATOM 68 C CYS A 8 -12.898 -0.376 1.482 1.00 0.00 C ATOM 69 O CYS A 8 -13.768 -0.527 2.340 1.00 0.00 O ATOM 70 CB CYS A 8 -12.768 2.012 0.745 1.00 0.00 C ATOM 71 SG CYS A 8 -11.188 2.161 1.639 1.00 0.00 S ATOM 0 H CYS A 8 -14.980 1.408 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.449 0.289 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.734 2.649 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.569 2.390 1.380 1.00 0.00 H new ATOM 76 N HIS A 9 -11.736 -1.021 1.507 1.00 0.00 N ATOM 77 CA HIS A 9 -11.410 -1.966 2.569 1.00 0.00 C ATOM 78 C HIS A 9 -10.696 -1.263 3.720 1.00 0.00 C ATOM 79 O HIS A 9 -10.923 -1.580 4.888 1.00 0.00 O ATOM 80 CB HIS A 9 -10.534 -3.095 2.024 1.00 0.00 C ATOM 81 CG HIS A 9 -10.437 -4.274 2.943 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.539 -4.883 3.506 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.359 -4.957 3.396 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.144 -5.888 4.266 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.825 -5.955 4.216 1.00 0.00 N ATOM 0 H HIS A 9 -11.005 -0.907 0.805 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.342 -2.388 2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.934 -3.424 1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.533 -2.708 1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.325 -4.755 3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.789 -6.544 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.247 -6.637 4.707 1.00 0.00 H new ATOM 94 N GLN A 10 -9.834 -0.310 3.382 1.00 0.00 N ATOM 95 CA GLN A 10 -9.087 0.435 4.389 1.00 0.00 C ATOM 96 C GLN A 10 -10.013 0.941 5.490 1.00 0.00 C ATOM 97 O GLN A 10 -9.989 0.440 6.615 1.00 0.00 O ATOM 98 CB GLN A 10 -8.354 1.612 3.742 1.00 0.00 C ATOM 99 CG GLN A 10 -7.610 2.487 4.738 1.00 0.00 C ATOM 100 CD GLN A 10 -6.293 1.879 5.178 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.480 1.465 4.351 1.00 0.00 O ATOM 102 NE2 GLN A 10 -6.074 1.824 6.487 1.00 0.00 N ATOM 0 H GLN A 10 -9.635 -0.035 2.420 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.356 -0.239 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.646 1.229 3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.075 2.225 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.424 3.463 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.240 2.652 5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.776 2.179 7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.204 1.427 6.842 1.00 0.00 H new ATOM 111 N CYS A 11 -10.828 1.937 5.160 1.00 0.00 N ATOM 112 CA CYS A 11 -11.762 2.512 6.121 1.00 0.00 C ATOM 113 C CYS A 11 -13.066 1.721 6.152 1.00 0.00 C ATOM 114 O CYS A 11 -13.644 1.497 7.214 1.00 0.00 O ATOM 115 CB CYS A 11 -12.047 3.975 5.774 1.00 0.00 C ATOM 116 SG CYS A 11 -12.845 4.212 4.153 1.00 0.00 S ATOM 0 H CYS A 11 -10.861 2.363 4.234 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.305 2.463 7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.685 4.403 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.109 4.531 5.790 1.00 0.00 H new ATOM 121 N GLY A 12 -13.525 1.300 4.977 1.00 0.00 N ATOM 122 CA GLY A 12 -14.757 0.538 4.891 1.00 0.00 C ATOM 123 C GLY A 12 -15.848 1.283 4.148 1.00 0.00 C ATOM 124 O GLY A 12 -16.650 0.676 3.439 1.00 0.00 O ATOM 0 H GLY A 12 -13.065 1.473 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.561 -0.409 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.104 0.299 5.896 1.00 0.00 H new ATOM 128 N GLU A 13 -15.879 2.602 4.311 1.00 0.00 N ATOM 129 CA GLU A 13 -16.882 3.429 3.651 1.00 0.00 C ATOM 130 C GLU A 13 -16.989 3.077 2.170 1.00 0.00 C ATOM 131 O GLU A 13 -16.019 2.636 1.554 1.00 0.00 O ATOM 132 CB GLU A 13 -16.538 4.912 3.810 1.00 0.00 C ATOM 133 CG GLU A 13 -16.423 5.357 5.258 1.00 0.00 C ATOM 134 CD GLU A 13 -17.773 5.497 5.935 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.563 6.365 5.509 1.00 0.00 O ATOM 136 OE2 GLU A 13 -18.039 4.739 6.891 1.00 0.00 O ATOM 0 H GLU A 13 -15.222 3.120 4.894 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.844 3.234 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.596 5.115 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.303 5.509 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.818 4.637 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.899 6.312 5.300 1.00 0.00 H new ATOM 143 N PHE A 14 -18.176 3.275 1.605 1.00 0.00 N ATOM 144 CA PHE A 14 -18.411 2.977 0.197 1.00 0.00 C ATOM 145 C PHE A 14 -17.788 4.046 -0.696 1.00 0.00 C ATOM 146 O PHE A 14 -17.918 5.242 -0.434 1.00 0.00 O ATOM 147 CB PHE A 14 -19.913 2.876 -0.081 1.00 0.00 C ATOM 148 CG PHE A 14 -20.239 2.152 -1.355 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.003 0.792 -1.475 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.783 2.831 -2.434 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.302 0.124 -2.647 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.084 2.168 -3.608 1.00 0.00 C ATOM 153 CZ PHE A 14 -20.844 0.812 -3.715 1.00 0.00 C ATOM 0 H PHE A 14 -18.989 3.640 2.100 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.941 2.020 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.395 2.364 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.335 3.880 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.581 0.248 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.974 3.891 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.112 -0.936 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.507 2.709 -4.441 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.080 0.291 -4.631 1.00 0.00 H new ATOM 163 N ILE A 15 -17.111 3.605 -1.751 1.00 0.00 N ATOM 164 CA ILE A 15 -16.468 4.522 -2.684 1.00 0.00 C ATOM 165 C ILE A 15 -17.446 4.992 -3.756 1.00 0.00 C ATOM 166 O ILE A 15 -18.199 4.194 -4.315 1.00 0.00 O ATOM 167 CB ILE A 15 -15.250 3.871 -3.365 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.384 3.151 -2.330 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.436 4.919 -4.109 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.517 2.061 -2.921 1.00 0.00 C ATOM 0 H ILE A 15 -16.994 2.618 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.132 5.380 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.606 3.136 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.746 3.881 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.030 2.717 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.579 4.443 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.058 5.390 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.087 5.675 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.930 1.594 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.149 1.311 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.846 2.492 -3.664 1.00 0.00 H new ATOM 182 N ILE A 16 -17.427 6.290 -4.038 1.00 0.00 N ATOM 183 CA ILE A 16 -18.310 6.865 -5.045 1.00 0.00 C ATOM 184 C ILE A 16 -17.560 7.848 -5.937 1.00 0.00 C ATOM 185 O ILE A 16 -17.119 8.903 -5.482 1.00 0.00 O ATOM 186 CB ILE A 16 -19.507 7.586 -4.399 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.116 6.720 -3.294 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.553 7.924 -5.451 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.185 7.428 -2.492 1.00 0.00 C ATOM 0 H ILE A 16 -16.810 6.963 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.679 6.037 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.154 8.516 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.543 5.822 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.323 6.394 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.393 8.433 -4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.112 8.575 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.904 7.006 -5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.572 6.755 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.758 8.311 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.997 7.730 -3.154 1.00 0.00 H new ATOM 201 N GLY A 17 -17.420 7.496 -7.212 1.00 0.00 N ATOM 202 CA GLY A 17 -16.724 8.359 -8.148 1.00 0.00 C ATOM 203 C GLY A 17 -15.401 7.775 -8.602 1.00 0.00 C ATOM 204 O GLY A 17 -15.251 7.387 -9.760 1.00 0.00 O ATOM 0 H GLY A 17 -17.776 6.628 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.358 8.533 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.549 9.329 -7.682 1.00 0.00 H new ATOM 208 N ARG A 18 -14.438 7.714 -7.688 1.00 0.00 N ATOM 209 CA ARG A 18 -13.120 7.176 -8.001 1.00 0.00 C ATOM 210 C ARG A 18 -12.806 5.964 -7.129 1.00 0.00 C ATOM 211 O ARG A 18 -12.665 6.082 -5.912 1.00 0.00 O ATOM 212 CB ARG A 18 -12.048 8.250 -7.806 1.00 0.00 C ATOM 213 CG ARG A 18 -10.628 7.710 -7.861 1.00 0.00 C ATOM 214 CD ARG A 18 -9.663 8.738 -8.431 1.00 0.00 C ATOM 215 NE ARG A 18 -8.352 8.161 -8.713 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.535 8.618 -9.655 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.892 9.655 -10.401 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.357 8.039 -9.852 1.00 0.00 N ATOM 0 H ARG A 18 -14.546 8.031 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.123 6.860 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.167 9.014 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.205 8.738 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.307 7.424 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.604 6.808 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.079 9.157 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.552 9.561 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.047 7.363 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.796 10.103 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.263 10.004 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.078 7.242 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.730 8.391 -10.576 1.00 0.00 H new ATOM 232 N VAL A 19 -12.699 4.799 -7.761 1.00 0.00 N ATOM 233 CA VAL A 19 -12.401 3.565 -7.043 1.00 0.00 C ATOM 234 C VAL A 19 -11.007 3.053 -7.386 1.00 0.00 C ATOM 235 O VAL A 19 -10.680 2.849 -8.556 1.00 0.00 O ATOM 236 CB VAL A 19 -13.433 2.467 -7.363 1.00 0.00 C ATOM 237 CG1 VAL A 19 -12.870 1.093 -7.033 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.729 2.718 -6.607 1.00 0.00 C ATOM 0 H VAL A 19 -12.814 4.684 -8.768 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.447 3.798 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.651 2.497 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.613 0.330 -7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.971 0.916 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.622 1.047 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.447 1.933 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.531 2.716 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.139 3.685 -6.899 1.00 0.00 H new ATOM 248 N ILE A 20 -10.189 2.847 -6.359 1.00 0.00 N ATOM 249 CA ILE A 20 -8.830 2.356 -6.552 1.00 0.00 C ATOM 250 C ILE A 20 -8.765 0.841 -6.392 1.00 0.00 C ATOM 251 O ILE A 20 -8.825 0.320 -5.278 1.00 0.00 O ATOM 252 CB ILE A 20 -7.850 3.009 -5.559 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.102 4.516 -5.476 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.413 2.729 -5.973 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.658 5.272 -6.708 1.00 0.00 C ATOM 0 H ILE A 20 -10.444 3.012 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.538 2.624 -7.567 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.014 2.578 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.166 4.690 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.580 4.916 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.732 3.197 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.241 1.653 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.235 3.137 -6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.867 6.334 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.588 5.129 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.198 4.899 -7.578 1.00 0.00 H new ATOM 267 N LYS A 21 -8.639 0.139 -7.513 1.00 0.00 N ATOM 268 CA LYS A 21 -8.561 -1.317 -7.499 1.00 0.00 C ATOM 269 C LYS A 21 -7.140 -1.784 -7.199 1.00 0.00 C ATOM 270 O LYS A 21 -6.218 -1.533 -7.975 1.00 0.00 O ATOM 271 CB LYS A 21 -9.024 -1.886 -8.842 1.00 0.00 C ATOM 272 CG LYS A 21 -10.523 -1.783 -9.063 1.00 0.00 C ATOM 273 CD LYS A 21 -11.247 -3.021 -8.562 1.00 0.00 C ATOM 274 CE LYS A 21 -11.754 -2.835 -7.140 1.00 0.00 C ATOM 275 NZ LYS A 21 -12.521 -4.019 -6.665 1.00 0.00 N ATOM 0 H LYS A 21 -8.589 0.555 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.218 -1.683 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.510 -1.360 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.727 -2.933 -8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.908 -0.902 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.727 -1.646 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.085 -3.245 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.574 -3.877 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.910 -2.658 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.388 -1.949 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.849 -3.853 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.341 -4.173 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.909 -4.860 -6.685 1.00 0.00 H new ATOM 289 N ALA A 22 -6.971 -2.466 -6.071 1.00 0.00 N ATOM 290 CA ALA A 22 -5.663 -2.970 -5.672 1.00 0.00 C ATOM 291 C ALA A 22 -5.799 -4.162 -4.730 1.00 0.00 C ATOM 292 O ALA A 22 -6.884 -4.444 -4.224 1.00 0.00 O ATOM 293 CB ALA A 22 -4.849 -1.865 -5.015 1.00 0.00 C ATOM 0 H ALA A 22 -7.724 -2.682 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.141 -3.306 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.875 -2.256 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.714 -1.044 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.375 -1.502 -4.132 1.00 0.00 H new ATOM 299 N MET A 23 -4.690 -4.857 -4.500 1.00 0.00 N ATOM 300 CA MET A 23 -4.686 -6.019 -3.618 1.00 0.00 C ATOM 301 C MET A 23 -5.943 -6.858 -3.819 1.00 0.00 C ATOM 302 O MET A 23 -6.390 -7.551 -2.906 1.00 0.00 O ATOM 303 CB MET A 23 -4.581 -5.576 -2.158 1.00 0.00 C ATOM 304 CG MET A 23 -3.389 -4.675 -1.879 1.00 0.00 C ATOM 305 SD MET A 23 -2.923 -4.657 -0.138 1.00 0.00 S ATOM 306 CE MET A 23 -1.450 -5.676 -0.172 1.00 0.00 C ATOM 0 H MET A 23 -3.783 -4.636 -4.912 1.00 0.00 H new ATOM 0 HA MET A 23 -3.819 -6.631 -3.867 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.495 -5.052 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.514 -6.459 -1.523 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.539 -5.008 -2.475 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.624 -3.660 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.003 -5.702 0.822 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.715 -6.688 -0.478 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.735 -5.258 -0.881 1.00 0.00 H new ATOM 316 N ASN A 24 -6.510 -6.790 -5.019 1.00 0.00 N ATOM 317 CA ASN A 24 -7.717 -7.543 -5.338 1.00 0.00 C ATOM 318 C ASN A 24 -8.909 -7.025 -4.539 1.00 0.00 C ATOM 319 O ASN A 24 -9.691 -7.805 -3.996 1.00 0.00 O ATOM 320 CB ASN A 24 -7.505 -9.031 -5.053 1.00 0.00 C ATOM 321 CG ASN A 24 -6.260 -9.578 -5.725 1.00 0.00 C ATOM 322 OD1 ASN A 24 -5.726 -8.971 -6.653 1.00 0.00 O ATOM 323 ND2 ASN A 24 -5.793 -10.729 -5.258 1.00 0.00 N ATOM 0 H ASN A 24 -6.153 -6.221 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.928 -7.410 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.431 -9.185 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.375 -9.591 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.958 -11.146 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.269 -11.197 -4.487 1.00 0.00 H new ATOM 330 N ASN A 25 -9.041 -5.704 -4.472 1.00 0.00 N ATOM 331 CA ASN A 25 -10.137 -5.082 -3.739 1.00 0.00 C ATOM 332 C ASN A 25 -10.237 -3.596 -4.069 1.00 0.00 C ATOM 333 O ASN A 25 -9.308 -3.009 -4.624 1.00 0.00 O ATOM 334 CB ASN A 25 -9.943 -5.270 -2.233 1.00 0.00 C ATOM 335 CG ASN A 25 -10.283 -6.676 -1.778 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.412 -7.137 -1.941 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.304 -7.364 -1.202 1.00 0.00 N ATOM 0 H ASN A 25 -8.403 -5.044 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.065 -5.567 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.909 -5.047 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.568 -4.556 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.473 -8.315 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.383 -6.942 -1.087 1.00 0.00 H new ATOM 344 N SER A 26 -11.369 -2.993 -3.722 1.00 0.00 N ATOM 345 CA SER A 26 -11.592 -1.576 -3.983 1.00 0.00 C ATOM 346 C SER A 26 -11.132 -0.726 -2.803 1.00 0.00 C ATOM 347 O SER A 26 -11.262 -1.129 -1.647 1.00 0.00 O ATOM 348 CB SER A 26 -13.073 -1.314 -4.267 1.00 0.00 C ATOM 349 OG SER A 26 -13.886 -1.786 -3.207 1.00 0.00 O ATOM 0 H SER A 26 -12.146 -3.464 -3.259 1.00 0.00 H new ATOM 0 HA SER A 26 -11.006 -1.298 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.236 -0.245 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.361 -1.805 -5.197 1.00 0.00 H new ATOM 0 HG SER A 26 -13.441 -1.613 -2.351 1.00 0.00 H new ATOM 355 N TRP A 27 -10.594 0.450 -3.103 1.00 0.00 N ATOM 356 CA TRP A 27 -10.113 1.357 -2.067 1.00 0.00 C ATOM 357 C TRP A 27 -10.254 2.810 -2.507 1.00 0.00 C ATOM 358 O TRP A 27 -10.638 3.090 -3.644 1.00 0.00 O ATOM 359 CB TRP A 27 -8.652 1.053 -1.731 1.00 0.00 C ATOM 360 CG TRP A 27 -8.352 -0.414 -1.663 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.526 -1.333 -2.657 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.826 -1.129 -0.539 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.140 -2.578 -2.220 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.706 -2.479 -0.924 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.443 -0.761 0.753 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.221 -3.458 -0.062 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.961 -1.734 1.608 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.853 -3.069 1.198 1.00 0.00 C ATOM 0 H TRP A 27 -10.480 0.798 -4.055 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.722 1.206 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.010 1.514 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.403 1.512 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.910 -1.114 -3.642 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.172 -3.436 -2.771 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.522 0.266 1.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.138 -4.488 -0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.663 -1.460 2.609 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.472 -3.806 1.889 1.00 0.00 H new ATOM 379 N HIS A 28 -9.942 3.732 -1.602 1.00 0.00 N ATOM 380 CA HIS A 28 -10.034 5.157 -1.898 1.00 0.00 C ATOM 381 C HIS A 28 -8.701 5.692 -2.412 1.00 0.00 C ATOM 382 O HIS A 28 -7.640 5.113 -2.177 1.00 0.00 O ATOM 383 CB HIS A 28 -10.461 5.932 -0.652 1.00 0.00 C ATOM 384 CG HIS A 28 -11.924 5.822 -0.350 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.412 5.327 0.841 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.008 6.148 -1.092 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.732 5.352 0.818 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.119 5.846 -0.344 1.00 0.00 N ATOM 0 H HIS A 28 -9.623 3.518 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.785 5.293 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.893 5.568 0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.203 6.983 -0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.000 6.568 -2.087 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.384 5.024 1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.086 5.981 -0.638 1.00 0.00 H new ATOM 396 N PRO A 29 -8.754 6.823 -3.132 1.00 0.00 N ATOM 397 CA PRO A 29 -7.559 7.460 -3.694 1.00 0.00 C ATOM 398 C PRO A 29 -6.667 8.071 -2.619 1.00 0.00 C ATOM 399 O PRO A 29 -5.619 8.641 -2.920 1.00 0.00 O ATOM 400 CB PRO A 29 -8.133 8.554 -4.598 1.00 0.00 C ATOM 401 CG PRO A 29 -9.471 8.861 -4.018 1.00 0.00 C ATOM 402 CD PRO A 29 -9.984 7.566 -3.451 1.00 0.00 C ATOM 0 HA PRO A 29 -6.924 6.745 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.493 9.436 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.218 8.211 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.395 9.623 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.147 9.248 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.596 7.730 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.603 7.029 -4.170 1.00 0.00 H new ATOM 410 N GLU A 30 -7.091 7.947 -1.364 1.00 0.00 N ATOM 411 CA GLU A 30 -6.329 8.487 -0.245 1.00 0.00 C ATOM 412 C GLU A 30 -6.053 7.408 0.798 1.00 0.00 C ATOM 413 O GLU A 30 -5.065 7.474 1.530 1.00 0.00 O ATOM 414 CB GLU A 30 -7.083 9.653 0.399 1.00 0.00 C ATOM 415 CG GLU A 30 -8.383 9.240 1.069 1.00 0.00 C ATOM 416 CD GLU A 30 -8.936 10.317 1.983 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.169 10.833 2.823 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.134 10.644 1.857 1.00 0.00 O ATOM 0 H GLU A 30 -7.957 7.478 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.375 8.848 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.438 10.128 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.299 10.401 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.122 9.003 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.217 8.330 1.645 1.00 0.00 H new ATOM 425 N CYS A 31 -6.934 6.414 0.859 1.00 0.00 N ATOM 426 CA CYS A 31 -6.788 5.320 1.812 1.00 0.00 C ATOM 427 C CYS A 31 -5.641 4.397 1.408 1.00 0.00 C ATOM 428 O CYS A 31 -4.744 4.120 2.204 1.00 0.00 O ATOM 429 CB CYS A 31 -8.090 4.523 1.908 1.00 0.00 C ATOM 430 SG CYS A 31 -9.385 5.331 2.902 1.00 0.00 S ATOM 0 H CYS A 31 -7.756 6.344 0.260 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.560 5.748 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.473 4.351 0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.874 3.545 2.338 1.00 0.00 H new ATOM 435 N PHE A 32 -5.679 3.925 0.167 1.00 0.00 N ATOM 436 CA PHE A 32 -4.644 3.032 -0.343 1.00 0.00 C ATOM 437 C PHE A 32 -3.276 3.707 -0.302 1.00 0.00 C ATOM 438 O PHE A 32 -2.884 4.397 -1.244 1.00 0.00 O ATOM 439 CB PHE A 32 -4.971 2.603 -1.774 1.00 0.00 C ATOM 440 CG PHE A 32 -4.288 1.331 -2.189 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.500 0.154 -1.489 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.434 1.312 -3.280 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.872 -1.017 -1.869 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.803 0.144 -3.665 1.00 0.00 C ATOM 445 CZ PHE A 32 -3.024 -1.022 -2.958 1.00 0.00 C ATOM 0 H PHE A 32 -6.415 4.145 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.613 2.149 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.049 2.475 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.683 3.401 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.163 0.152 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.259 2.221 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.045 -1.927 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.139 0.143 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.534 -1.937 -3.257 1.00 0.00 H new ATOM 455 N ARG A 33 -2.554 3.502 0.794 1.00 0.00 N ATOM 456 CA ARG A 33 -1.230 4.091 0.959 1.00 0.00 C ATOM 457 C ARG A 33 -0.182 3.011 1.209 1.00 0.00 C ATOM 458 O ARG A 33 -0.516 1.852 1.456 1.00 0.00 O ATOM 459 CB ARG A 33 -1.234 5.091 2.117 1.00 0.00 C ATOM 460 CG ARG A 33 -2.283 6.182 1.976 1.00 0.00 C ATOM 461 CD ARG A 33 -2.118 7.255 3.041 1.00 0.00 C ATOM 462 NE ARG A 33 -1.289 8.363 2.577 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.657 9.201 3.392 1.00 0.00 C ATOM 464 NH1 ARG A 33 -0.759 9.055 4.706 1.00 0.00 N ATOM 465 NH2 ARG A 33 0.079 10.186 2.893 1.00 0.00 N ATOM 0 H ARG A 33 -2.863 2.932 1.582 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.975 4.614 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.404 4.553 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.249 5.553 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.208 6.635 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.278 5.743 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.099 7.632 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.670 6.815 3.932 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.189 8.502 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.323 8.298 5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.273 9.699 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.160 10.301 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.564 10.829 3.520 1.00 0.00 H new ATOM 479 N CYS A 34 1.087 3.399 1.142 1.00 0.00 N ATOM 480 CA CYS A 34 2.185 2.466 1.360 1.00 0.00 C ATOM 481 C CYS A 34 2.117 1.862 2.760 1.00 0.00 C ATOM 482 O CYS A 34 1.363 2.330 3.613 1.00 0.00 O ATOM 483 CB CYS A 34 3.529 3.171 1.162 1.00 0.00 C ATOM 484 SG CYS A 34 4.943 2.038 0.975 1.00 0.00 S ATOM 0 H CYS A 34 1.380 4.354 0.938 1.00 0.00 H new ATOM 0 HA CYS A 34 2.094 1.661 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.467 3.806 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.712 3.826 2.014 1.00 0.00 H new ATOM 489 N ASP A 35 2.909 0.820 2.988 1.00 0.00 N ATOM 490 CA ASP A 35 2.939 0.152 4.284 1.00 0.00 C ATOM 491 C ASP A 35 4.215 0.499 5.044 1.00 0.00 C ATOM 492 O ASP A 35 4.404 0.079 6.186 1.00 0.00 O ATOM 493 CB ASP A 35 2.834 -1.363 4.103 1.00 0.00 C ATOM 494 CG ASP A 35 2.701 -2.096 5.424 1.00 0.00 C ATOM 495 OD1 ASP A 35 3.739 -2.344 6.071 1.00 0.00 O ATOM 496 OD2 ASP A 35 1.559 -2.422 5.809 1.00 0.00 O ATOM 0 H ASP A 35 3.539 0.420 2.292 1.00 0.00 H new ATOM 0 HA ASP A 35 2.085 0.500 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.973 -1.592 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.717 -1.725 3.577 1.00 0.00 H new ATOM 501 N LEU A 36 5.089 1.267 4.403 1.00 0.00 N ATOM 502 CA LEU A 36 6.349 1.671 5.018 1.00 0.00 C ATOM 503 C LEU A 36 6.420 3.187 5.170 1.00 0.00 C ATOM 504 O LEU A 36 6.985 3.699 6.137 1.00 0.00 O ATOM 505 CB LEU A 36 7.529 1.175 4.181 1.00 0.00 C ATOM 506 CG LEU A 36 7.740 -0.339 4.148 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.568 -0.736 2.936 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.406 -0.814 5.431 1.00 0.00 C ATOM 0 H LEU A 36 4.949 1.623 3.457 1.00 0.00 H new ATOM 0 HA LEU A 36 6.401 1.223 6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.395 1.525 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.439 1.640 4.561 1.00 0.00 H new ATOM 0 HG LEU A 36 6.765 -0.820 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.708 -1.817 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.051 -0.431 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.540 -0.245 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.548 -1.894 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.374 -0.325 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.774 -0.564 6.283 1.00 0.00 H new ATOM 520 N CYS A 37 5.841 3.900 4.211 1.00 0.00 N ATOM 521 CA CYS A 37 5.836 5.358 4.238 1.00 0.00 C ATOM 522 C CYS A 37 4.412 5.899 4.152 1.00 0.00 C ATOM 523 O CYS A 37 4.189 7.105 4.255 1.00 0.00 O ATOM 524 CB CYS A 37 6.675 5.913 3.085 1.00 0.00 C ATOM 525 SG CYS A 37 5.966 5.607 1.435 1.00 0.00 S ATOM 0 H CYS A 37 5.369 3.492 3.404 1.00 0.00 H new ATOM 0 HA CYS A 37 6.272 5.681 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.797 6.987 3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.670 5.471 3.129 1.00 0.00 H new ATOM 530 N GLN A 38 3.453 4.998 3.962 1.00 0.00 N ATOM 531 CA GLN A 38 2.051 5.385 3.861 1.00 0.00 C ATOM 532 C GLN A 38 1.858 6.463 2.800 1.00 0.00 C ATOM 533 O GLN A 38 1.298 7.524 3.075 1.00 0.00 O ATOM 534 CB GLN A 38 1.540 5.887 5.213 1.00 0.00 C ATOM 535 CG GLN A 38 1.741 4.893 6.346 1.00 0.00 C ATOM 536 CD GLN A 38 0.547 3.980 6.540 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.578 4.443 6.736 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.784 2.675 6.488 1.00 0.00 N ATOM 0 H GLN A 38 3.621 3.996 3.875 1.00 0.00 H new ATOM 0 HA GLN A 38 1.478 4.505 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.050 6.817 5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.478 6.118 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.626 4.290 6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.932 5.436 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.731 2.335 6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.019 2.012 6.613 1.00 0.00 H new ATOM 547 N GLU A 39 2.328 6.185 1.588 1.00 0.00 N ATOM 548 CA GLU A 39 2.208 7.132 0.486 1.00 0.00 C ATOM 549 C GLU A 39 1.109 6.704 -0.482 1.00 0.00 C ATOM 550 O GLU A 39 1.057 5.551 -0.910 1.00 0.00 O ATOM 551 CB GLU A 39 3.539 7.255 -0.257 1.00 0.00 C ATOM 552 CG GLU A 39 3.441 8.039 -1.555 1.00 0.00 C ATOM 553 CD GLU A 39 4.773 8.624 -1.985 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.323 9.459 -1.238 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.264 8.246 -3.069 1.00 0.00 O ATOM 0 H GLU A 39 2.795 5.312 1.345 1.00 0.00 H new ATOM 0 HA GLU A 39 1.942 8.104 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.266 7.738 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.918 6.256 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.064 7.386 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.716 8.844 -1.435 1.00 0.00 H new ATOM 562 N VAL A 40 0.231 7.642 -0.824 1.00 0.00 N ATOM 563 CA VAL A 40 -0.867 7.364 -1.742 1.00 0.00 C ATOM 564 C VAL A 40 -0.383 6.574 -2.953 1.00 0.00 C ATOM 565 O VAL A 40 0.398 7.074 -3.763 1.00 0.00 O ATOM 566 CB VAL A 40 -1.538 8.663 -2.225 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.679 8.352 -3.181 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.031 9.480 -1.040 1.00 0.00 C ATOM 0 H VAL A 40 0.259 8.601 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.597 6.770 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.798 9.255 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.141 9.282 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.293 7.812 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.423 7.738 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.502 10.395 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.756 8.897 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.188 9.735 -0.398 1.00 0.00 H new ATOM 578 N LEU A 41 -0.853 5.337 -3.071 1.00 0.00 N ATOM 579 CA LEU A 41 -0.469 4.476 -4.184 1.00 0.00 C ATOM 580 C LEU A 41 -1.574 4.420 -5.235 1.00 0.00 C ATOM 581 O LEU A 41 -1.821 3.374 -5.834 1.00 0.00 O ATOM 582 CB LEU A 41 -0.157 3.065 -3.680 1.00 0.00 C ATOM 583 CG LEU A 41 0.381 2.967 -2.253 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.052 1.610 -1.650 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.883 3.211 -2.231 1.00 0.00 C ATOM 0 H LEU A 41 -1.500 4.908 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 41 0.425 4.896 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.066 2.468 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.571 2.613 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.101 3.737 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.443 1.559 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.029 1.473 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.506 0.824 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.249 3.137 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.382 2.465 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.096 4.206 -2.621 1.00 0.00 H new ATOM 597 N ALA A 42 -2.232 5.553 -5.454 1.00 0.00 N ATOM 598 CA ALA A 42 -3.307 5.634 -6.436 1.00 0.00 C ATOM 599 C ALA A 42 -2.766 6.004 -7.812 1.00 0.00 C ATOM 600 O ALA A 42 -2.901 5.241 -8.769 1.00 0.00 O ATOM 601 CB ALA A 42 -4.355 6.643 -5.989 1.00 0.00 C ATOM 0 H ALA A 42 -2.040 6.427 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.773 4.652 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.152 6.693 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.772 6.334 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.894 7.625 -5.885 1.00 0.00 H new ATOM 607 N ASP A 43 -2.155 7.180 -7.906 1.00 0.00 N ATOM 608 CA ASP A 43 -1.594 7.651 -9.167 1.00 0.00 C ATOM 609 C ASP A 43 -0.233 7.013 -9.428 1.00 0.00 C ATOM 610 O ASP A 43 0.027 6.507 -10.520 1.00 0.00 O ATOM 611 CB ASP A 43 -1.462 9.175 -9.153 1.00 0.00 C ATOM 612 CG ASP A 43 -1.588 9.780 -10.538 1.00 0.00 C ATOM 613 OD1 ASP A 43 -2.458 9.323 -11.308 1.00 0.00 O ATOM 614 OD2 ASP A 43 -0.816 10.710 -10.851 1.00 0.00 O ATOM 0 H ASP A 43 -2.036 7.824 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.272 7.360 -9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.229 9.597 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.497 9.449 -8.726 1.00 0.00 H new ATOM 619 N ILE A 44 0.632 7.042 -8.419 1.00 0.00 N ATOM 620 CA ILE A 44 1.965 6.467 -8.540 1.00 0.00 C ATOM 621 C ILE A 44 1.900 4.949 -8.668 1.00 0.00 C ATOM 622 O ILE A 44 2.741 4.333 -9.321 1.00 0.00 O ATOM 623 CB ILE A 44 2.848 6.832 -7.331 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.297 6.187 -6.058 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.931 8.343 -7.174 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.196 6.363 -4.854 1.00 0.00 C ATOM 0 H ILE A 44 0.433 7.458 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 44 2.408 6.886 -9.443 1.00 0.00 H new ATOM 0 HB ILE A 44 3.854 6.449 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.319 6.615 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.146 5.122 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.558 8.586 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.363 8.779 -8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.931 8.748 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.743 5.881 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.167 5.910 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.327 7.426 -4.650 1.00 0.00 H new ATOM 638 N GLY A 45 0.892 4.351 -8.040 1.00 0.00 N ATOM 639 CA GLY A 45 0.733 2.909 -8.097 1.00 0.00 C ATOM 640 C GLY A 45 1.396 2.207 -6.928 1.00 0.00 C ATOM 641 O GLY A 45 2.243 2.784 -6.247 1.00 0.00 O ATOM 0 H GLY A 45 0.183 4.839 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.329 2.664 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.157 2.536 -9.029 1.00 0.00 H new ATOM 645 N PHE A 46 1.008 0.957 -6.695 1.00 0.00 N ATOM 646 CA PHE A 46 1.569 0.175 -5.598 1.00 0.00 C ATOM 647 C PHE A 46 2.273 -1.072 -6.124 1.00 0.00 C ATOM 648 O PHE A 46 2.182 -1.398 -7.308 1.00 0.00 O ATOM 649 CB PHE A 46 0.467 -0.224 -4.614 1.00 0.00 C ATOM 650 CG PHE A 46 -0.372 -1.376 -5.088 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.214 -1.234 -6.178 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.318 -2.601 -4.442 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.988 -2.292 -6.618 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.089 -3.663 -4.877 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.925 -3.508 -5.965 1.00 0.00 C ATOM 0 H PHE A 46 0.308 0.464 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 46 2.302 0.794 -5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.922 -0.485 -3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.179 0.636 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.267 -0.285 -6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.333 -2.727 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.640 -2.168 -7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.037 -4.613 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.529 -4.336 -6.305 1.00 0.00 H new ATOM 665 N VAL A 47 2.976 -1.766 -5.235 1.00 0.00 N ATOM 666 CA VAL A 47 3.696 -2.978 -5.608 1.00 0.00 C ATOM 667 C VAL A 47 3.479 -4.084 -4.582 1.00 0.00 C ATOM 668 O VAL A 47 3.906 -3.974 -3.433 1.00 0.00 O ATOM 669 CB VAL A 47 5.207 -2.713 -5.748 1.00 0.00 C ATOM 670 CG1 VAL A 47 5.928 -3.966 -6.222 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.458 -1.552 -6.699 1.00 0.00 C ATOM 0 H VAL A 47 3.062 -1.510 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 47 3.299 -3.297 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 47 5.603 -2.444 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.994 -3.759 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.776 -4.768 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.531 -4.269 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.531 -1.378 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.048 -1.790 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.975 -0.654 -6.313 1.00 0.00 H new ATOM 681 N LYS A 48 2.811 -5.153 -5.005 1.00 0.00 N ATOM 682 CA LYS A 48 2.537 -6.282 -4.124 1.00 0.00 C ATOM 683 C LYS A 48 3.833 -6.869 -3.573 1.00 0.00 C ATOM 684 O LYS A 48 4.720 -7.258 -4.331 1.00 0.00 O ATOM 685 CB LYS A 48 1.754 -7.362 -4.874 1.00 0.00 C ATOM 686 CG LYS A 48 0.254 -7.296 -4.642 1.00 0.00 C ATOM 687 CD LYS A 48 -0.102 -7.621 -3.201 1.00 0.00 C ATOM 688 CE LYS A 48 -0.242 -9.120 -2.985 1.00 0.00 C ATOM 689 NZ LYS A 48 1.033 -9.736 -2.524 1.00 0.00 N ATOM 0 H LYS A 48 2.450 -5.261 -5.953 1.00 0.00 H new ATOM 0 HA LYS A 48 1.938 -5.922 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.953 -7.268 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.118 -8.342 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.110 -6.300 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.249 -7.996 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.668 -7.227 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.036 -7.125 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.024 -9.309 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.558 -9.593 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.824 -10.561 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.591 -10.038 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.576 -9.040 -1.975 1.00 0.00 H new ATOM 703 N ASN A 49 3.933 -6.932 -2.250 1.00 0.00 N ATOM 704 CA ASN A 49 5.120 -7.474 -1.598 1.00 0.00 C ATOM 705 C ASN A 49 4.776 -8.038 -0.223 1.00 0.00 C ATOM 706 O ASN A 49 4.152 -7.365 0.597 1.00 0.00 O ATOM 707 CB ASN A 49 6.192 -6.390 -1.463 1.00 0.00 C ATOM 708 CG ASN A 49 7.541 -6.958 -1.063 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.751 -8.170 -1.098 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.461 -6.081 -0.680 1.00 0.00 N ATOM 0 H ASN A 49 3.207 -6.615 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 49 5.506 -8.284 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.290 -5.860 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.874 -5.659 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.387 -6.403 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.242 -5.085 -0.667 1.00 0.00 H new ATOM 717 N ALA A 50 5.189 -9.277 0.022 1.00 0.00 N ATOM 718 CA ALA A 50 4.927 -9.932 1.298 1.00 0.00 C ATOM 719 C ALA A 50 3.498 -9.674 1.764 1.00 0.00 C ATOM 720 O ALA A 50 3.251 -9.456 2.950 1.00 0.00 O ATOM 721 CB ALA A 50 5.921 -9.457 2.348 1.00 0.00 C ATOM 0 H ALA A 50 5.707 -9.848 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 50 5.047 -11.006 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.714 -9.954 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.934 -9.698 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.828 -8.379 2.476 1.00 0.00 H new ATOM 727 N GLY A 51 2.560 -9.700 0.823 1.00 0.00 N ATOM 728 CA GLY A 51 1.167 -9.466 1.157 1.00 0.00 C ATOM 729 C GLY A 51 0.927 -8.072 1.703 1.00 0.00 C ATOM 730 O GLY A 51 0.094 -7.880 2.588 1.00 0.00 O ATOM 0 H GLY A 51 2.739 -9.879 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.554 -9.615 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.845 -10.202 1.894 1.00 0.00 H new ATOM 734 N ARG A 52 1.661 -7.098 1.175 1.00 0.00 N ATOM 735 CA ARG A 52 1.526 -5.715 1.616 1.00 0.00 C ATOM 736 C ARG A 52 1.672 -4.753 0.441 1.00 0.00 C ATOM 737 O ARG A 52 2.491 -4.968 -0.453 1.00 0.00 O ATOM 738 CB ARG A 52 2.572 -5.394 2.685 1.00 0.00 C ATOM 739 CG ARG A 52 2.501 -6.305 3.900 1.00 0.00 C ATOM 740 CD ARG A 52 3.776 -6.235 4.725 1.00 0.00 C ATOM 741 NE ARG A 52 3.885 -7.350 5.662 1.00 0.00 N ATOM 742 CZ ARG A 52 4.603 -7.305 6.778 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.273 -6.205 7.095 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.652 -8.361 7.580 1.00 0.00 N ATOM 0 H ARG A 52 2.355 -7.241 0.441 1.00 0.00 H new ATOM 0 HA ARG A 52 0.531 -5.591 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.566 -5.469 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.444 -4.361 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.650 -6.022 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.332 -7.332 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.639 -6.236 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.800 -5.295 5.276 1.00 0.00 H new ATOM 0 HE ARG A 52 3.382 -8.211 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.237 -5.391 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.824 -6.173 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.138 -9.208 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.204 -8.325 8.437 1.00 0.00 H new ATOM 758 N HIS A 53 0.873 -3.690 0.450 1.00 0.00 N ATOM 759 CA HIS A 53 0.914 -2.694 -0.615 1.00 0.00 C ATOM 760 C HIS A 53 1.998 -1.655 -0.346 1.00 0.00 C ATOM 761 O HIS A 53 1.890 -0.857 0.586 1.00 0.00 O ATOM 762 CB HIS A 53 -0.445 -2.007 -0.751 1.00 0.00 C ATOM 763 CG HIS A 53 -0.904 -1.333 0.505 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.000 -0.498 0.554 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.409 -1.376 1.764 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.159 -0.055 1.789 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.206 -0.573 2.543 1.00 0.00 N ATOM 0 H HIS A 53 0.190 -3.497 1.182 1.00 0.00 H new ATOM 0 HA HIS A 53 1.150 -3.205 -1.548 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.391 -1.269 -1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.188 -2.746 -1.049 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.595 -0.259 -0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.452 -1.937 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.936 0.616 2.125 1.00 0.00 H new ATOM 776 N LEU A 54 3.042 -1.671 -1.167 1.00 0.00 N ATOM 777 CA LEU A 54 4.147 -0.730 -1.018 1.00 0.00 C ATOM 778 C LEU A 54 4.306 0.126 -2.270 1.00 0.00 C ATOM 779 O LEU A 54 3.694 -0.146 -3.303 1.00 0.00 O ATOM 780 CB LEU A 54 5.448 -1.482 -0.732 1.00 0.00 C ATOM 781 CG LEU A 54 5.323 -2.733 0.139 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.627 -3.515 0.141 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.923 -2.356 1.558 1.00 0.00 C ATOM 0 H LEU A 54 3.147 -2.325 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 54 3.922 -0.073 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.895 -1.770 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.143 -0.795 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 54 4.543 -3.368 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.519 -4.401 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.872 -3.817 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.427 -2.888 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.839 -3.258 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.680 -1.700 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.963 -1.840 1.540 1.00 0.00 H new ATOM 795 N CYS A 55 5.133 1.162 -2.171 1.00 0.00 N ATOM 796 CA CYS A 55 5.375 2.058 -3.296 1.00 0.00 C ATOM 797 C CYS A 55 6.725 1.765 -3.944 1.00 0.00 C ATOM 798 O CYS A 55 7.670 1.349 -3.273 1.00 0.00 O ATOM 799 CB CYS A 55 5.325 3.515 -2.833 1.00 0.00 C ATOM 800 SG CYS A 55 6.714 4.003 -1.760 1.00 0.00 S ATOM 0 H CYS A 55 5.647 1.402 -1.323 1.00 0.00 H new ATOM 0 HA CYS A 55 4.593 1.891 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.312 4.163 -3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.390 3.683 -2.298 1.00 0.00 H new ATOM 805 N ARG A 56 6.807 1.985 -5.252 1.00 0.00 N ATOM 806 CA ARG A 56 8.040 1.744 -5.991 1.00 0.00 C ATOM 807 C ARG A 56 9.260 2.079 -5.138 1.00 0.00 C ATOM 808 O ARG A 56 10.172 1.270 -4.970 1.00 0.00 O ATOM 809 CB ARG A 56 8.060 2.573 -7.277 1.00 0.00 C ATOM 810 CG ARG A 56 7.683 1.781 -8.518 1.00 0.00 C ATOM 811 CD ARG A 56 8.056 2.528 -9.790 1.00 0.00 C ATOM 812 NE ARG A 56 7.172 2.189 -10.902 1.00 0.00 N ATOM 813 CZ ARG A 56 7.314 1.099 -11.648 1.00 0.00 C ATOM 814 NH1 ARG A 56 8.299 0.247 -11.401 1.00 0.00 N ATOM 815 NH2 ARG A 56 6.470 0.860 -12.643 1.00 0.00 N ATOM 0 H ARG A 56 6.034 2.330 -5.822 1.00 0.00 H new ATOM 0 HA ARG A 56 8.078 0.686 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.373 3.412 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.057 2.993 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.187 0.815 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.611 1.582 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.012 3.601 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.085 2.293 -10.060 1.00 0.00 H new ATOM 0 HE ARG A 56 6.403 2.824 -11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.950 0.428 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.406 -0.589 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.711 1.513 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.580 0.023 -13.215 1.00 0.00 H new ATOM 829 N PRO A 57 9.279 3.302 -4.587 1.00 0.00 N ATOM 830 CA PRO A 57 10.381 3.773 -3.743 1.00 0.00 C ATOM 831 C PRO A 57 10.767 2.756 -2.673 1.00 0.00 C ATOM 832 O PRO A 57 11.870 2.210 -2.691 1.00 0.00 O ATOM 833 CB PRO A 57 9.816 5.040 -3.096 1.00 0.00 C ATOM 834 CG PRO A 57 8.782 5.525 -4.054 1.00 0.00 C ATOM 835 CD PRO A 57 8.225 4.319 -4.745 1.00 0.00 C ATOM 0 HA PRO A 57 11.292 3.941 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.382 4.826 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.595 5.787 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.995 6.067 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.219 6.216 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.287 3.996 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.019 4.521 -5.796 1.00 0.00 H new ATOM 843 N CYS A 58 9.851 2.506 -1.743 1.00 0.00 N ATOM 844 CA CYS A 58 10.095 1.556 -0.665 1.00 0.00 C ATOM 845 C CYS A 58 10.398 0.167 -1.223 1.00 0.00 C ATOM 846 O CYS A 58 11.505 -0.349 -1.065 1.00 0.00 O ATOM 847 CB CYS A 58 8.885 1.489 0.268 1.00 0.00 C ATOM 848 SG CYS A 58 8.498 3.065 1.097 1.00 0.00 S ATOM 0 H CYS A 58 8.933 2.949 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 58 10.962 1.900 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.015 1.169 -0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.066 0.727 1.026 1.00 0.00 H new ATOM 853 N HIS A 59 9.407 -0.431 -1.876 1.00 0.00 N ATOM 854 CA HIS A 59 9.567 -1.759 -2.458 1.00 0.00 C ATOM 855 C HIS A 59 10.947 -1.913 -3.089 1.00 0.00 C ATOM 856 O HIS A 59 11.614 -2.930 -2.906 1.00 0.00 O ATOM 857 CB HIS A 59 8.483 -2.013 -3.505 1.00 0.00 C ATOM 858 CG HIS A 59 8.635 -3.321 -4.220 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.421 -4.540 -3.612 1.00 0.00 N ATOM 860 CD2 HIS A 59 8.981 -3.596 -5.499 1.00 0.00 C ATOM 861 CE1 HIS A 59 8.631 -5.508 -4.486 1.00 0.00 C ATOM 862 NE2 HIS A 59 8.972 -4.962 -5.639 1.00 0.00 N ATOM 0 H HIS A 59 8.485 -0.018 -2.015 1.00 0.00 H new ATOM 0 HA HIS A 59 9.469 -2.494 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.507 -1.985 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.499 -1.205 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.220 -2.875 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.539 -6.566 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.193 -5.472 -6.494 1.00 0.00 H new ATOM 871 N ASN A 60 11.369 -0.895 -3.833 1.00 0.00 N ATOM 872 CA ASN A 60 12.669 -0.918 -4.492 1.00 0.00 C ATOM 873 C ASN A 60 13.792 -1.099 -3.475 1.00 0.00 C ATOM 874 O ASN A 60 14.719 -1.880 -3.690 1.00 0.00 O ATOM 875 CB ASN A 60 12.886 0.373 -5.284 1.00 0.00 C ATOM 876 CG ASN A 60 12.376 0.270 -6.708 1.00 0.00 C ATOM 877 OD1 ASN A 60 11.557 1.234 -7.115 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 12.714 -0.665 -7.435 1.00 0.00 N flip ATOM 0 H ASN A 60 10.829 -0.045 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 60 12.685 -1.764 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.380 1.196 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.949 0.613 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.345 -1.384 -7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.363 -0.720 -8.391 1.00 0.00 H new ATOM 885 N ARG A 61 13.701 -0.371 -2.366 1.00 0.00 N ATOM 886 CA ARG A 61 14.709 -0.450 -1.316 1.00 0.00 C ATOM 887 C ARG A 61 14.782 -1.860 -0.738 1.00 0.00 C ATOM 888 O ARG A 61 15.864 -2.357 -0.424 1.00 0.00 O ATOM 889 CB ARG A 61 14.397 0.553 -0.204 1.00 0.00 C ATOM 890 CG ARG A 61 14.614 2.001 -0.611 1.00 0.00 C ATOM 891 CD ARG A 61 14.220 2.958 0.503 1.00 0.00 C ATOM 892 NE ARG A 61 15.252 3.054 1.532 1.00 0.00 N ATOM 893 CZ ARG A 61 16.317 3.842 1.433 1.00 0.00 C ATOM 894 NH1 ARG A 61 16.489 4.598 0.357 1.00 0.00 N ATOM 895 NH2 ARG A 61 17.213 3.875 2.412 1.00 0.00 N ATOM 0 H ARG A 61 12.940 0.280 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 61 15.676 -0.206 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.361 0.424 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.022 0.330 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.662 2.154 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.029 2.220 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.034 3.946 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.287 2.623 0.956 1.00 0.00 H new ATOM 0 HE ARG A 61 15.149 2.485 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.803 4.575 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.308 5.202 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.084 3.295 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.030 4.480 2.335 1.00 0.00 H new ATOM 909 N GLU A 62 13.625 -2.499 -0.600 1.00 0.00 N ATOM 910 CA GLU A 62 13.559 -3.851 -0.058 1.00 0.00 C ATOM 911 C GLU A 62 14.149 -4.860 -1.039 1.00 0.00 C ATOM 912 O GLU A 62 15.123 -5.547 -0.730 1.00 0.00 O ATOM 913 CB GLU A 62 12.110 -4.225 0.265 1.00 0.00 C ATOM 914 CG GLU A 62 11.348 -3.133 0.995 1.00 0.00 C ATOM 915 CD GLU A 62 11.486 -3.233 2.502 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.517 -2.772 3.035 1.00 0.00 O ATOM 917 OE2 GLU A 62 10.563 -3.771 3.148 1.00 0.00 O ATOM 0 H GLU A 62 12.721 -2.102 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 62 14.147 -3.876 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.589 -4.462 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.104 -5.129 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.710 -2.159 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.293 -3.189 0.726 1.00 0.00 H new ATOM 924 N LYS A 63 13.553 -4.943 -2.224 1.00 0.00 N ATOM 925 CA LYS A 63 14.018 -5.866 -3.252 1.00 0.00 C ATOM 926 C LYS A 63 15.479 -5.600 -3.601 1.00 0.00 C ATOM 927 O LYS A 63 16.210 -6.512 -3.987 1.00 0.00 O ATOM 928 CB LYS A 63 13.152 -5.742 -4.508 1.00 0.00 C ATOM 929 CG LYS A 63 13.276 -4.396 -5.201 1.00 0.00 C ATOM 930 CD LYS A 63 12.152 -4.179 -6.201 1.00 0.00 C ATOM 931 CE LYS A 63 12.318 -5.063 -7.427 1.00 0.00 C ATOM 932 NZ LYS A 63 13.412 -4.581 -8.315 1.00 0.00 N ATOM 0 H LYS A 63 12.746 -4.381 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 63 13.935 -6.879 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.429 -6.529 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.109 -5.908 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.261 -3.600 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.236 -4.336 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.194 -4.391 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.132 -3.133 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.530 -6.085 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.382 -5.089 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.395 -5.114 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.278 -3.569 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.329 -4.723 -7.845 1.00 0.00 H new ATOM 946 N ALA A 64 15.897 -4.347 -3.461 1.00 0.00 N ATOM 947 CA ALA A 64 17.272 -3.962 -3.758 1.00 0.00 C ATOM 948 C ALA A 64 18.191 -4.257 -2.578 1.00 0.00 C ATOM 949 O ALA A 64 19.041 -3.440 -2.223 1.00 0.00 O ATOM 950 CB ALA A 64 17.339 -2.488 -4.128 1.00 0.00 C ATOM 0 H ALA A 64 15.304 -3.580 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 64 17.614 -4.553 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.371 -2.214 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.721 -2.305 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.973 -1.887 -3.296 1.00 0.00 H new ATOM 956 N SER A 65 18.015 -5.427 -1.974 1.00 0.00 N ATOM 957 CA SER A 65 18.827 -5.827 -0.831 1.00 0.00 C ATOM 958 C SER A 65 20.239 -6.200 -1.271 1.00 0.00 C ATOM 959 O SER A 65 20.481 -6.491 -2.441 1.00 0.00 O ATOM 960 CB SER A 65 18.178 -7.008 -0.106 1.00 0.00 C ATOM 961 OG SER A 65 18.332 -8.207 -0.846 1.00 0.00 O ATOM 0 H SER A 65 17.317 -6.115 -2.257 1.00 0.00 H new ATOM 0 HA SER A 65 18.890 -4.980 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.628 -7.125 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.118 -6.806 0.049 1.00 0.00 H new ATOM 0 HG SER A 65 17.911 -8.947 -0.361 1.00 0.00 H new ATOM 967 N GLY A 66 21.171 -6.188 -0.322 1.00 0.00 N ATOM 968 CA GLY A 66 22.548 -6.525 -0.630 1.00 0.00 C ATOM 969 C GLY A 66 22.989 -7.818 0.028 1.00 0.00 C ATOM 970 O GLY A 66 22.198 -8.520 0.658 1.00 0.00 O ATOM 0 H GLY A 66 20.996 -5.951 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.665 -6.612 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 66 23.199 -5.714 -0.304 1.00 0.00 H new ATOM 974 N PRO A 67 24.280 -8.150 -0.118 1.00 0.00 N ATOM 975 CA PRO A 67 24.854 -9.370 0.459 1.00 0.00 C ATOM 976 C PRO A 67 24.941 -9.307 1.980 1.00 0.00 C ATOM 977 O PRO A 67 25.265 -8.265 2.550 1.00 0.00 O ATOM 978 CB PRO A 67 26.255 -9.427 -0.155 1.00 0.00 C ATOM 979 CG PRO A 67 26.583 -8.011 -0.483 1.00 0.00 C ATOM 980 CD PRO A 67 25.280 -7.360 -0.856 1.00 0.00 C ATOM 0 HA PRO A 67 24.244 -10.248 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 67 26.977 -9.849 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 67 26.271 -10.054 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 67 27.040 -7.509 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 67 27.296 -7.956 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 67 25.257 -6.310 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 67 25.106 -7.396 -1.931 1.00 0.00 H new ATOM 988 N SER A 68 24.648 -10.427 2.632 1.00 0.00 N ATOM 989 CA SER A 68 24.690 -10.498 4.088 1.00 0.00 C ATOM 990 C SER A 68 26.117 -10.326 4.599 1.00 0.00 C ATOM 991 O SER A 68 27.081 -10.623 3.894 1.00 0.00 O ATOM 992 CB SER A 68 24.120 -11.833 4.571 1.00 0.00 C ATOM 993 OG SER A 68 24.965 -12.910 4.205 1.00 0.00 O ATOM 0 H SER A 68 24.379 -11.298 2.175 1.00 0.00 H new ATOM 0 HA SER A 68 24.080 -9.686 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 68 24.002 -11.811 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 68 23.128 -11.984 4.145 1.00 0.00 H new ATOM 0 HG SER A 68 24.580 -13.752 4.527 1.00 0.00 H new ATOM 999 N SER A 69 26.243 -9.845 5.832 1.00 0.00 N ATOM 1000 CA SER A 69 27.552 -9.629 6.438 1.00 0.00 C ATOM 1001 C SER A 69 28.182 -10.954 6.856 1.00 0.00 C ATOM 1002 O SER A 69 29.321 -11.253 6.499 1.00 0.00 O ATOM 1003 CB SER A 69 27.429 -8.704 7.651 1.00 0.00 C ATOM 1004 OG SER A 69 28.691 -8.491 8.258 1.00 0.00 O ATOM 0 H SER A 69 25.455 -9.598 6.431 1.00 0.00 H new ATOM 0 HA SER A 69 28.196 -9.159 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 69 27.004 -7.749 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 69 26.742 -9.139 8.376 1.00 0.00 H new ATOM 0 HG SER A 69 28.587 -7.896 9.030 1.00 0.00 H new ATOM 1010 N GLY A 70 27.431 -11.746 7.616 1.00 0.00 N ATOM 1011 CA GLY A 70 27.932 -13.029 8.071 1.00 0.00 C ATOM 1012 C GLY A 70 26.843 -14.081 8.149 1.00 0.00 C ATOM 1013 O GLY A 70 26.259 -14.416 7.120 1.00 0.00 O ATOM 0 H GLY A 70 26.485 -11.521 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.715 -13.371 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.389 -12.910 9.053 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.351 4.404 2.343 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.632 3.588 0.446 1.00 0.00 ZN