USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 379 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 50 HIS HE2 : A 50 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -5.52! C(o=-5.6!,f=-16!) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.0818 X(o=-5.6,f=-5.5) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0838 (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 -45:sc= 0.907 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.03 K(o=-1,f=-7.4!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 SER OG : rot -46:sc= 0.854 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 17 SER OG : rot 28:sc= 0.324! USER MOD Single : A 20 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.21) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.701 X(o=-0.7,f=-0.84) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.136 (180deg=-1.18) USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= -0.179 (180deg=-0.938) USER MOD Single : A 51 HIS : no HE2:sc= -3.02! C(o=-3!,f=-4.5!) USER MOD Single : A 52 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-4.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.908 39.319 26.676 1.00 0.00 N ATOM 2 CA GLY A 1 -13.628 39.839 26.233 1.00 0.00 C ATOM 3 C GLY A 1 -13.176 39.228 24.922 1.00 0.00 C ATOM 4 O GLY A 1 -13.936 38.515 24.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.567 40.108 26.835 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.296 38.685 25.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.780 38.791 27.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.698 40.921 26.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.876 39.646 26.998 1.00 0.00 H new ATOM 8 N SER A 2 -11.935 39.507 24.536 1.00 0.00 N ATOM 9 CA SER A 2 -11.384 38.984 23.291 1.00 0.00 C ATOM 10 C SER A 2 -10.067 38.257 23.543 1.00 0.00 C ATOM 11 O SER A 2 -9.109 38.404 22.784 1.00 0.00 O ATOM 12 CB SER A 2 -11.171 40.118 22.287 1.00 0.00 C ATOM 13 OG SER A 2 -10.290 41.100 22.806 1.00 0.00 O ATOM 0 H SER A 2 -11.291 40.093 25.068 1.00 0.00 H new ATOM 0 HA SER A 2 -12.098 38.272 22.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.765 39.715 21.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.129 40.577 22.043 1.00 0.00 H new ATOM 0 HG SER A 2 -10.169 41.813 22.145 1.00 0.00 H new ATOM 19 N SER A 3 -10.027 37.473 24.615 1.00 0.00 N ATOM 20 CA SER A 3 -8.826 36.725 24.971 1.00 0.00 C ATOM 21 C SER A 3 -8.110 36.222 23.721 1.00 0.00 C ATOM 22 O SER A 3 -6.953 36.560 23.476 1.00 0.00 O ATOM 23 CB SER A 3 -9.184 35.546 25.878 1.00 0.00 C ATOM 24 OG SER A 3 -8.060 34.710 26.093 1.00 0.00 O ATOM 0 H SER A 3 -10.812 37.339 25.252 1.00 0.00 H new ATOM 0 HA SER A 3 -8.155 37.396 25.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.554 35.917 26.834 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.991 34.968 25.427 1.00 0.00 H new ATOM 0 HG SER A 3 -8.313 33.965 26.677 1.00 0.00 H new ATOM 30 N GLY A 4 -8.808 35.409 22.933 1.00 0.00 N ATOM 31 CA GLY A 4 -8.224 34.871 21.719 1.00 0.00 C ATOM 32 C GLY A 4 -7.124 33.867 22.000 1.00 0.00 C ATOM 33 O GLY A 4 -7.303 32.946 22.797 1.00 0.00 O ATOM 0 H GLY A 4 -9.767 35.114 23.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.004 34.394 21.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.822 35.688 21.120 1.00 0.00 H new ATOM 37 N SER A 5 -5.982 34.044 21.343 1.00 0.00 N ATOM 38 CA SER A 5 -4.850 33.142 21.522 1.00 0.00 C ATOM 39 C SER A 5 -5.308 31.687 21.520 1.00 0.00 C ATOM 40 O SER A 5 -4.842 30.877 22.321 1.00 0.00 O ATOM 41 CB SER A 5 -4.122 33.458 22.830 1.00 0.00 C ATOM 42 OG SER A 5 -3.001 32.608 23.008 1.00 0.00 O ATOM 0 H SER A 5 -5.816 34.803 20.682 1.00 0.00 H new ATOM 0 HA SER A 5 -4.164 33.289 20.688 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.797 34.498 22.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.808 33.341 23.669 1.00 0.00 H new ATOM 0 HG SER A 5 -3.253 31.685 22.795 1.00 0.00 H new ATOM 48 N SER A 6 -6.226 31.364 20.614 1.00 0.00 N ATOM 49 CA SER A 6 -6.751 30.008 20.509 1.00 0.00 C ATOM 50 C SER A 6 -6.755 29.537 19.058 1.00 0.00 C ATOM 51 O SER A 6 -7.714 28.920 18.596 1.00 0.00 O ATOM 52 CB SER A 6 -8.168 29.941 21.083 1.00 0.00 C ATOM 53 OG SER A 6 -9.050 30.784 20.361 1.00 0.00 O ATOM 0 H SER A 6 -6.621 32.023 19.943 1.00 0.00 H new ATOM 0 HA SER A 6 -6.102 29.348 21.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.530 28.914 21.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.154 30.237 22.132 1.00 0.00 H new ATOM 0 HG SER A 6 -9.949 30.723 20.746 1.00 0.00 H new ATOM 59 N GLY A 7 -5.674 29.835 18.343 1.00 0.00 N ATOM 60 CA GLY A 7 -5.572 29.435 16.952 1.00 0.00 C ATOM 61 C GLY A 7 -5.076 28.012 16.792 1.00 0.00 C ATOM 62 O GLY A 7 -4.166 27.582 17.501 1.00 0.00 O ATOM 0 H GLY A 7 -4.868 30.346 18.702 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.548 29.532 16.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.896 30.113 16.431 1.00 0.00 H new ATOM 66 N ILE A 8 -5.675 27.280 15.859 1.00 0.00 N ATOM 67 CA ILE A 8 -5.288 25.897 15.609 1.00 0.00 C ATOM 68 C ILE A 8 -4.899 25.690 14.149 1.00 0.00 C ATOM 69 O ILE A 8 -5.728 25.822 13.250 1.00 0.00 O ATOM 70 CB ILE A 8 -6.424 24.921 15.968 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.866 25.130 17.418 1.00 0.00 C ATOM 72 CG2 ILE A 8 -5.977 23.484 15.747 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.853 24.650 18.434 1.00 0.00 C ATOM 0 H ILE A 8 -6.430 27.621 15.264 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.427 25.691 16.245 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.274 25.121 15.316 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.058 26.190 17.581 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.808 24.607 17.581 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.791 22.806 16.005 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.706 23.344 14.700 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.113 23.271 16.377 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.233 24.830 19.440 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.678 23.583 18.297 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.917 25.191 18.298 1.00 0.00 H new ATOM 85 N ASN A 9 -3.631 25.363 13.922 1.00 0.00 N ATOM 86 CA ASN A 9 -3.131 25.137 12.570 1.00 0.00 C ATOM 87 C ASN A 9 -2.811 23.661 12.349 1.00 0.00 C ATOM 88 O ASN A 9 -1.903 23.113 12.973 1.00 0.00 O ATOM 89 CB ASN A 9 -1.882 25.984 12.317 1.00 0.00 C ATOM 90 CG ASN A 9 -1.340 25.809 10.912 1.00 0.00 C ATOM 91 OD1 ASN A 9 -1.664 24.840 10.226 1.00 0.00 O ATOM 92 ND2 ASN A 9 -0.509 26.750 10.478 1.00 0.00 N ATOM 0 H ASN A 9 -2.931 25.249 14.655 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.910 25.432 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.119 27.035 12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.110 25.713 13.038 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.111 26.687 9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.268 27.536 11.082 1.00 0.00 H new ATOM 99 N GLN A 10 -3.563 23.026 11.456 1.00 0.00 N ATOM 100 CA GLN A 10 -3.360 21.614 11.153 1.00 0.00 C ATOM 101 C GLN A 10 -2.375 21.441 10.001 1.00 0.00 C ATOM 102 O GLN A 10 -2.764 21.447 8.834 1.00 0.00 O ATOM 103 CB GLN A 10 -4.692 20.949 10.804 1.00 0.00 C ATOM 104 CG GLN A 10 -5.687 20.938 11.954 1.00 0.00 C ATOM 105 CD GLN A 10 -7.019 20.326 11.568 1.00 0.00 C ATOM 106 OE1 GLN A 10 -7.075 19.214 11.042 1.00 0.00 O ATOM 107 NE2 GLN A 10 -8.101 21.050 11.828 1.00 0.00 N ATOM 0 H GLN A 10 -4.318 23.466 10.930 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.944 21.134 12.039 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.136 21.469 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.504 19.923 10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.264 20.381 12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.847 21.959 12.300 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.008 21.967 12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.025 20.689 11.591 1.00 0.00 H new ATOM 116 N GLN A 11 -1.099 21.288 10.339 1.00 0.00 N ATOM 117 CA GLN A 11 -0.058 21.115 9.332 1.00 0.00 C ATOM 118 C GLN A 11 0.091 19.646 8.951 1.00 0.00 C ATOM 119 O GLN A 11 0.896 18.922 9.537 1.00 0.00 O ATOM 120 CB GLN A 11 1.275 21.658 9.848 1.00 0.00 C ATOM 121 CG GLN A 11 2.259 22.006 8.742 1.00 0.00 C ATOM 122 CD GLN A 11 3.495 22.714 9.262 1.00 0.00 C ATOM 123 OE1 GLN A 11 3.867 22.564 10.426 1.00 0.00 O ATOM 124 NE2 GLN A 11 4.139 23.492 8.399 1.00 0.00 N ATOM 0 H GLN A 11 -0.761 21.280 11.301 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.350 21.674 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.087 22.548 10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.729 20.918 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.558 21.093 8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.764 22.640 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.795 23.587 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.977 23.994 8.692 1.00 0.00 H new ATOM 133 N GLU A 12 -0.690 19.212 7.967 1.00 0.00 N ATOM 134 CA GLU A 12 -0.645 17.828 7.509 1.00 0.00 C ATOM 135 C GLU A 12 -1.421 17.660 6.206 1.00 0.00 C ATOM 136 O GLU A 12 -2.622 17.927 6.148 1.00 0.00 O ATOM 137 CB GLU A 12 -1.214 16.895 8.579 1.00 0.00 C ATOM 138 CG GLU A 12 -2.624 17.258 9.016 1.00 0.00 C ATOM 139 CD GLU A 12 -3.181 16.295 10.046 1.00 0.00 C ATOM 140 OE1 GLU A 12 -3.174 15.075 9.782 1.00 0.00 O ATOM 141 OE2 GLU A 12 -3.625 16.762 11.116 1.00 0.00 O ATOM 0 H GLU A 12 -1.361 19.799 7.472 1.00 0.00 H new ATOM 0 HA GLU A 12 0.397 17.566 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.213 15.874 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.558 16.911 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.624 18.267 9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.279 17.271 8.145 1.00 0.00 H new ATOM 148 N ASP A 13 -0.728 17.217 5.164 1.00 0.00 N ATOM 149 CA ASP A 13 -1.351 17.012 3.862 1.00 0.00 C ATOM 150 C ASP A 13 -0.391 16.316 2.903 1.00 0.00 C ATOM 151 O ASP A 13 0.786 16.667 2.823 1.00 0.00 O ATOM 152 CB ASP A 13 -1.800 18.350 3.271 1.00 0.00 C ATOM 153 CG ASP A 13 -2.632 18.179 2.016 1.00 0.00 C ATOM 154 OD1 ASP A 13 -2.047 17.890 0.951 1.00 0.00 O ATOM 155 OD2 ASP A 13 -3.868 18.333 2.099 1.00 0.00 O ATOM 0 H ASP A 13 0.267 16.993 5.195 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.223 16.374 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.379 18.897 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.923 18.955 3.042 1.00 0.00 H new ATOM 160 N SER A 14 -0.901 15.325 2.178 1.00 0.00 N ATOM 161 CA SER A 14 -0.087 14.575 1.228 1.00 0.00 C ATOM 162 C SER A 14 1.162 14.018 1.904 1.00 0.00 C ATOM 163 O SER A 14 2.266 14.117 1.370 1.00 0.00 O ATOM 164 CB SER A 14 0.311 15.467 0.050 1.00 0.00 C ATOM 165 OG SER A 14 1.101 14.754 -0.885 1.00 0.00 O ATOM 0 H SER A 14 -1.874 15.023 2.230 1.00 0.00 H new ATOM 0 HA SER A 14 -0.681 13.740 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.585 15.847 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.866 16.331 0.415 1.00 0.00 H new ATOM 0 HG SER A 14 1.798 14.254 -0.411 1.00 0.00 H new ATOM 171 N SER A 15 0.977 13.431 3.082 1.00 0.00 N ATOM 172 CA SER A 15 2.089 12.860 3.834 1.00 0.00 C ATOM 173 C SER A 15 2.248 11.375 3.525 1.00 0.00 C ATOM 174 O SER A 15 1.387 10.767 2.890 1.00 0.00 O ATOM 175 CB SER A 15 1.872 13.060 5.336 1.00 0.00 C ATOM 176 OG SER A 15 3.039 12.730 6.068 1.00 0.00 O ATOM 0 H SER A 15 0.068 13.338 3.536 1.00 0.00 H new ATOM 0 HA SER A 15 3.001 13.375 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.597 14.096 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.041 12.440 5.672 1.00 0.00 H new ATOM 0 HG SER A 15 2.875 12.868 7.024 1.00 0.00 H new ATOM 182 N GLU A 16 3.357 10.798 3.978 1.00 0.00 N ATOM 183 CA GLU A 16 3.630 9.384 3.749 1.00 0.00 C ATOM 184 C GLU A 16 4.443 8.794 4.898 1.00 0.00 C ATOM 185 O GLU A 16 5.641 9.047 5.018 1.00 0.00 O ATOM 186 CB GLU A 16 4.380 9.194 2.429 1.00 0.00 C ATOM 187 CG GLU A 16 3.476 9.212 1.208 1.00 0.00 C ATOM 188 CD GLU A 16 3.309 10.602 0.625 1.00 0.00 C ATOM 189 OE1 GLU A 16 4.256 11.408 0.735 1.00 0.00 O ATOM 190 OE2 GLU A 16 2.231 10.884 0.061 1.00 0.00 O ATOM 0 H GLU A 16 4.080 11.288 4.505 1.00 0.00 H new ATOM 0 HA GLU A 16 2.676 8.860 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.128 9.981 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.917 8.246 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.888 8.550 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.497 8.816 1.479 1.00 0.00 H new ATOM 197 N SER A 17 3.781 8.007 5.740 1.00 0.00 N ATOM 198 CA SER A 17 4.440 7.384 6.882 1.00 0.00 C ATOM 199 C SER A 17 4.190 5.879 6.899 1.00 0.00 C ATOM 200 O SER A 17 3.045 5.427 6.848 1.00 0.00 O ATOM 201 CB SER A 17 3.945 8.009 8.187 1.00 0.00 C ATOM 202 OG SER A 17 2.637 7.564 8.502 1.00 0.00 O ATOM 0 H SER A 17 2.789 7.786 5.653 1.00 0.00 H new ATOM 0 HA SER A 17 5.512 7.556 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.625 7.751 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.951 9.095 8.099 1.00 0.00 H new ATOM 0 HG SER A 17 2.495 6.671 8.124 1.00 0.00 H new ATOM 208 N CYS A 18 5.269 5.107 6.970 1.00 0.00 N ATOM 209 CA CYS A 18 5.169 3.653 6.994 1.00 0.00 C ATOM 210 C CYS A 18 4.232 3.190 8.105 1.00 0.00 C ATOM 211 O CYS A 18 4.461 3.470 9.281 1.00 0.00 O ATOM 212 CB CYS A 18 6.553 3.029 7.186 1.00 0.00 C ATOM 213 SG CYS A 18 6.541 1.210 7.281 1.00 0.00 S ATOM 0 H CYS A 18 6.223 5.465 7.012 1.00 0.00 H new ATOM 0 HA CYS A 18 4.759 3.326 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.196 3.335 6.360 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.996 3.427 8.099 1.00 0.00 H new ATOM 218 N TRP A 19 3.176 2.479 7.723 1.00 0.00 N ATOM 219 CA TRP A 19 2.204 1.977 8.687 1.00 0.00 C ATOM 220 C TRP A 19 2.874 1.071 9.714 1.00 0.00 C ATOM 221 O TRP A 19 2.513 1.077 10.890 1.00 0.00 O ATOM 222 CB TRP A 19 1.089 1.216 7.968 1.00 0.00 C ATOM 223 CG TRP A 19 0.175 2.106 7.181 1.00 0.00 C ATOM 224 CD1 TRP A 19 0.477 3.328 6.651 1.00 0.00 C ATOM 225 CD2 TRP A 19 -1.190 1.844 6.837 1.00 0.00 C ATOM 226 NE1 TRP A 19 -0.618 3.841 5.998 1.00 0.00 N ATOM 227 CE2 TRP A 19 -1.653 2.949 6.097 1.00 0.00 C ATOM 228 CE3 TRP A 19 -2.065 0.782 7.081 1.00 0.00 C ATOM 229 CZ2 TRP A 19 -2.952 3.021 5.602 1.00 0.00 C ATOM 230 CZ3 TRP A 19 -3.354 0.855 6.588 1.00 0.00 C ATOM 231 CH2 TRP A 19 -3.788 1.968 5.855 1.00 0.00 C ATOM 0 H TRP A 19 2.972 2.238 6.753 1.00 0.00 H new ATOM 0 HA TRP A 19 1.773 2.831 9.210 1.00 0.00 H new ATOM 0 HB2 TRP A 19 1.534 0.481 7.298 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.503 0.664 8.703 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.435 3.819 6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.654 4.740 5.518 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.740 -0.080 7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.288 3.878 5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -4.039 0.040 6.771 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.802 1.995 5.483 1.00 0.00 H new ATOM 242 N ASN A 20 3.852 0.292 9.262 1.00 0.00 N ATOM 243 CA ASN A 20 4.572 -0.620 10.142 1.00 0.00 C ATOM 244 C ASN A 20 5.453 0.150 11.121 1.00 0.00 C ATOM 245 O ASN A 20 5.138 0.256 12.306 1.00 0.00 O ATOM 246 CB ASN A 20 5.427 -1.587 9.321 1.00 0.00 C ATOM 247 CG ASN A 20 6.135 -2.611 10.186 1.00 0.00 C ATOM 248 OD1 ASN A 20 5.497 -3.432 10.845 1.00 0.00 O ATOM 249 ND2 ASN A 20 7.463 -2.567 10.189 1.00 0.00 N ATOM 0 H ASN A 20 4.164 0.275 8.291 1.00 0.00 H new ATOM 0 HA ASN A 20 3.838 -1.189 10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.795 -2.102 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.166 -1.022 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.994 -3.231 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.951 -1.869 9.627 1.00 0.00 H new ATOM 256 N CYS A 21 6.559 0.687 10.616 1.00 0.00 N ATOM 257 CA CYS A 21 7.486 1.449 11.443 1.00 0.00 C ATOM 258 C CYS A 21 6.874 2.783 11.860 1.00 0.00 C ATOM 259 O CYS A 21 6.543 2.988 13.027 1.00 0.00 O ATOM 260 CB CYS A 21 8.796 1.689 10.689 1.00 0.00 C ATOM 261 SG CYS A 21 9.428 0.223 9.812 1.00 0.00 S ATOM 0 H CYS A 21 6.835 0.608 9.637 1.00 0.00 H new ATOM 0 HA CYS A 21 7.693 0.868 12.342 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.646 2.493 9.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.552 2.031 11.396 1.00 0.00 H new ATOM 266 N GLY A 22 6.728 3.688 10.897 1.00 0.00 N ATOM 267 CA GLY A 22 6.156 4.990 11.183 1.00 0.00 C ATOM 268 C GLY A 22 7.085 6.127 10.804 1.00 0.00 C ATOM 269 O GLY A 22 6.634 7.235 10.513 1.00 0.00 O ATOM 0 H GLY A 22 6.996 3.542 9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.216 5.097 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.922 5.055 12.246 1.00 0.00 H new ATOM 273 N ARG A 23 8.385 5.853 10.809 1.00 0.00 N ATOM 274 CA ARG A 23 9.380 6.863 10.465 1.00 0.00 C ATOM 275 C ARG A 23 9.069 7.493 9.111 1.00 0.00 C ATOM 276 O ARG A 23 8.678 8.658 9.031 1.00 0.00 O ATOM 277 CB ARG A 23 10.779 6.244 10.443 1.00 0.00 C ATOM 278 CG ARG A 23 11.895 7.256 10.641 1.00 0.00 C ATOM 279 CD ARG A 23 11.889 7.824 12.052 1.00 0.00 C ATOM 280 NE ARG A 23 11.001 8.977 12.174 1.00 0.00 N ATOM 281 CZ ARG A 23 11.293 10.183 11.698 1.00 0.00 C ATOM 282 NH1 ARG A 23 12.443 10.391 11.072 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.434 11.182 11.848 1.00 0.00 N ATOM 0 H ARG A 23 8.774 4.941 11.047 1.00 0.00 H new ATOM 0 HA ARG A 23 9.347 7.643 11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.844 5.486 11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.927 5.734 9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.856 6.782 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.784 8.067 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.577 7.050 12.753 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.902 8.116 12.330 1.00 0.00 H new ATOM 0 HE ARG A 23 10.108 8.850 12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.106 9.625 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.665 11.317 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.548 11.025 12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.659 12.107 11.482 1.00 0.00 H new ATOM 297 N LYS A 24 9.246 6.717 8.048 1.00 0.00 N ATOM 298 CA LYS A 24 8.985 7.197 6.696 1.00 0.00 C ATOM 299 C LYS A 24 8.580 6.048 5.779 1.00 0.00 C ATOM 300 O LYS A 24 8.915 4.891 6.032 1.00 0.00 O ATOM 301 CB LYS A 24 10.223 7.900 6.134 1.00 0.00 C ATOM 302 CG LYS A 24 9.990 8.556 4.784 1.00 0.00 C ATOM 303 CD LYS A 24 11.301 8.879 4.088 1.00 0.00 C ATOM 304 CE LYS A 24 11.092 9.831 2.920 1.00 0.00 C ATOM 305 NZ LYS A 24 12.362 10.104 2.193 1.00 0.00 N ATOM 0 H LYS A 24 9.570 5.751 8.096 1.00 0.00 H new ATOM 0 HA LYS A 24 8.161 7.909 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.554 8.658 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.032 7.175 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.396 7.894 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.413 9.471 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.993 9.324 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.761 7.958 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.363 9.405 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.674 10.769 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.177 10.757 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.049 10.534 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.748 9.213 1.821 1.00 0.00 H new ATOM 319 N ALA A 25 7.857 6.375 4.713 1.00 0.00 N ATOM 320 CA ALA A 25 7.409 5.370 3.756 1.00 0.00 C ATOM 321 C ALA A 25 7.925 5.679 2.354 1.00 0.00 C ATOM 322 O ALA A 25 7.752 6.788 1.849 1.00 0.00 O ATOM 323 CB ALA A 25 5.890 5.283 3.755 1.00 0.00 C ATOM 0 H ALA A 25 7.569 7.328 4.490 1.00 0.00 H new ATOM 0 HA ALA A 25 7.817 4.406 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.569 4.529 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.541 5.008 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.470 6.250 3.478 1.00 0.00 H new ATOM 329 N SER A 26 8.558 4.690 1.731 1.00 0.00 N ATOM 330 CA SER A 26 9.103 4.858 0.389 1.00 0.00 C ATOM 331 C SER A 26 8.233 4.146 -0.643 1.00 0.00 C ATOM 332 O SER A 26 8.095 4.605 -1.777 1.00 0.00 O ATOM 333 CB SER A 26 10.533 4.320 0.325 1.00 0.00 C ATOM 334 OG SER A 26 11.460 5.275 0.811 1.00 0.00 O ATOM 0 H SER A 26 8.706 3.765 2.134 1.00 0.00 H new ATOM 0 HA SER A 26 9.113 5.923 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.607 3.405 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.781 4.059 -0.704 1.00 0.00 H new ATOM 0 HG SER A 26 12.366 4.906 0.761 1.00 0.00 H new ATOM 340 N GLU A 27 7.648 3.022 -0.241 1.00 0.00 N ATOM 341 CA GLU A 27 6.793 2.246 -1.131 1.00 0.00 C ATOM 342 C GLU A 27 5.331 2.347 -0.705 1.00 0.00 C ATOM 343 O GLU A 27 4.989 3.094 0.212 1.00 0.00 O ATOM 344 CB GLU A 27 7.231 0.780 -1.145 1.00 0.00 C ATOM 345 CG GLU A 27 8.264 0.463 -2.213 1.00 0.00 C ATOM 346 CD GLU A 27 7.635 0.040 -3.526 1.00 0.00 C ATOM 347 OE1 GLU A 27 6.439 0.333 -3.734 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.340 -0.584 -4.347 1.00 0.00 O ATOM 0 H GLU A 27 7.751 2.629 0.695 1.00 0.00 H new ATOM 0 HA GLU A 27 6.890 2.657 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.640 0.523 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.355 0.150 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.889 1.340 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.919 -0.332 -1.855 1.00 0.00 H new ATOM 355 N THR A 28 4.470 1.590 -1.379 1.00 0.00 N ATOM 356 CA THR A 28 3.045 1.595 -1.073 1.00 0.00 C ATOM 357 C THR A 28 2.376 0.311 -1.549 1.00 0.00 C ATOM 358 O THR A 28 2.700 -0.212 -2.616 1.00 0.00 O ATOM 359 CB THR A 28 2.336 2.800 -1.720 1.00 0.00 C ATOM 360 OG1 THR A 28 3.098 3.993 -1.499 1.00 0.00 O ATOM 361 CG2 THR A 28 0.936 2.973 -1.150 1.00 0.00 C ATOM 0 H THR A 28 4.735 0.966 -2.141 1.00 0.00 H new ATOM 0 HA THR A 28 2.955 1.668 0.011 1.00 0.00 H new ATOM 0 HB THR A 28 2.255 2.615 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.642 4.754 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.454 3.830 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.350 2.075 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.999 3.139 -0.075 1.00 0.00 H new ATOM 369 N CYS A 29 1.441 -0.194 -0.751 1.00 0.00 N ATOM 370 CA CYS A 29 0.725 -1.418 -1.090 1.00 0.00 C ATOM 371 C CYS A 29 0.313 -1.417 -2.559 1.00 0.00 C ATOM 372 O CYS A 29 -0.464 -0.569 -2.996 1.00 0.00 O ATOM 373 CB CYS A 29 -0.511 -1.574 -0.202 1.00 0.00 C ATOM 374 SG CYS A 29 -1.606 -2.947 -0.686 1.00 0.00 S ATOM 0 H CYS A 29 1.161 0.226 0.135 1.00 0.00 H new ATOM 0 HA CYS A 29 1.395 -2.261 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.188 -1.727 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.080 -0.645 -0.223 1.00 0.00 H new ATOM 379 N SER A 30 0.839 -2.375 -3.316 1.00 0.00 N ATOM 380 CA SER A 30 0.528 -2.484 -4.737 1.00 0.00 C ATOM 381 C SER A 30 -0.816 -3.173 -4.948 1.00 0.00 C ATOM 382 O SER A 30 -1.000 -3.919 -5.909 1.00 0.00 O ATOM 383 CB SER A 30 1.630 -3.257 -5.464 1.00 0.00 C ATOM 384 OG SER A 30 2.814 -2.484 -5.566 1.00 0.00 O ATOM 0 H SER A 30 1.482 -3.087 -2.969 1.00 0.00 H new ATOM 0 HA SER A 30 0.468 -1.477 -5.149 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.842 -4.183 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.287 -3.535 -6.460 1.00 0.00 H new ATOM 0 HG SER A 30 3.503 -3.001 -6.033 1.00 0.00 H new ATOM 390 N GLY A 31 -1.754 -2.917 -4.042 1.00 0.00 N ATOM 391 CA GLY A 31 -3.070 -3.520 -4.145 1.00 0.00 C ATOM 392 C GLY A 31 -4.187 -2.511 -3.962 1.00 0.00 C ATOM 393 O GLY A 31 -5.207 -2.571 -4.650 1.00 0.00 O ATOM 0 H GLY A 31 -1.626 -2.302 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.172 -3.997 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.167 -4.304 -3.394 1.00 0.00 H new ATOM 397 N CYS A 32 -3.995 -1.582 -3.032 1.00 0.00 N ATOM 398 CA CYS A 32 -4.994 -0.556 -2.758 1.00 0.00 C ATOM 399 C CYS A 32 -4.379 0.838 -2.840 1.00 0.00 C ATOM 400 O CYS A 32 -5.091 1.837 -2.931 1.00 0.00 O ATOM 401 CB CYS A 32 -5.612 -0.773 -1.375 1.00 0.00 C ATOM 402 SG CYS A 32 -4.417 -0.673 -0.003 1.00 0.00 S ATOM 0 H CYS A 32 -3.156 -1.518 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.775 -0.634 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.393 -0.030 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.093 -1.751 -1.353 1.00 0.00 H new ATOM 407 N ASN A 33 -3.052 0.896 -2.806 1.00 0.00 N ATOM 408 CA ASN A 33 -2.341 2.167 -2.877 1.00 0.00 C ATOM 409 C ASN A 33 -2.738 3.078 -1.719 1.00 0.00 C ATOM 410 O ASN A 33 -2.837 4.295 -1.877 1.00 0.00 O ATOM 411 CB ASN A 33 -2.627 2.862 -4.209 1.00 0.00 C ATOM 412 CG ASN A 33 -1.852 4.157 -4.364 1.00 0.00 C ATOM 413 OD1 ASN A 33 -0.653 4.212 -4.090 1.00 0.00 O ATOM 414 ND2 ASN A 33 -2.536 5.207 -4.804 1.00 0.00 N ATOM 0 H ASN A 33 -2.447 0.078 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.273 1.962 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.373 2.190 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.694 3.069 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.068 6.105 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.529 5.115 -5.019 1.00 0.00 H new ATOM 421 N THR A 34 -2.966 2.480 -0.554 1.00 0.00 N ATOM 422 CA THR A 34 -3.354 3.236 0.630 1.00 0.00 C ATOM 423 C THR A 34 -2.345 3.047 1.758 1.00 0.00 C ATOM 424 O THR A 34 -1.938 4.010 2.407 1.00 0.00 O ATOM 425 CB THR A 34 -4.750 2.820 1.131 1.00 0.00 C ATOM 426 OG1 THR A 34 -5.739 3.143 0.147 1.00 0.00 O ATOM 427 CG2 THR A 34 -5.084 3.515 2.442 1.00 0.00 C ATOM 0 H THR A 34 -2.889 1.474 -0.405 1.00 0.00 H new ATOM 0 HA THR A 34 -3.379 4.286 0.340 1.00 0.00 H new ATOM 0 HB THR A 34 -4.746 1.743 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.624 2.874 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.074 3.206 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.345 3.243 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.072 4.595 2.295 1.00 0.00 H new ATOM 435 N ALA A 35 -1.945 1.800 1.985 1.00 0.00 N ATOM 436 CA ALA A 35 -0.982 1.486 3.032 1.00 0.00 C ATOM 437 C ALA A 35 0.435 1.852 2.603 1.00 0.00 C ATOM 438 O ALA A 35 0.929 1.369 1.584 1.00 0.00 O ATOM 439 CB ALA A 35 -1.060 0.010 3.396 1.00 0.00 C ATOM 0 H ALA A 35 -2.273 0.991 1.457 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.232 2.080 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.335 -0.210 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.063 -0.224 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.838 -0.594 2.516 1.00 0.00 H new ATOM 445 N ARG A 36 1.083 2.708 3.387 1.00 0.00 N ATOM 446 CA ARG A 36 2.442 3.140 3.086 1.00 0.00 C ATOM 447 C ARG A 36 3.463 2.260 3.801 1.00 0.00 C ATOM 448 O ARG A 36 3.175 1.684 4.851 1.00 0.00 O ATOM 449 CB ARG A 36 2.638 4.601 3.494 1.00 0.00 C ATOM 450 CG ARG A 36 1.563 5.533 2.957 1.00 0.00 C ATOM 451 CD ARG A 36 1.742 5.790 1.469 1.00 0.00 C ATOM 452 NE ARG A 36 0.477 6.110 0.813 1.00 0.00 N ATOM 453 CZ ARG A 36 -0.215 7.218 1.051 1.00 0.00 C ATOM 454 NH1 ARG A 36 0.234 8.108 1.926 1.00 0.00 N ATOM 455 NH2 ARG A 36 -1.358 7.438 0.414 1.00 0.00 N ATOM 0 H ARG A 36 0.689 3.116 4.235 1.00 0.00 H new ATOM 0 HA ARG A 36 2.596 3.046 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.654 4.667 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.611 4.941 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.580 5.098 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.597 6.479 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.443 6.612 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.181 4.910 0.999 1.00 0.00 H new ATOM 0 HE ARG A 36 0.105 5.446 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.112 7.942 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.299 8.959 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.706 6.756 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.889 8.290 0.598 1.00 0.00 H new ATOM 469 N TYR A 37 4.657 2.161 3.226 1.00 0.00 N ATOM 470 CA TYR A 37 5.719 1.349 3.807 1.00 0.00 C ATOM 471 C TYR A 37 7.090 1.936 3.486 1.00 0.00 C ATOM 472 O TYR A 37 7.270 2.605 2.468 1.00 0.00 O ATOM 473 CB TYR A 37 5.633 -0.088 3.289 1.00 0.00 C ATOM 474 CG TYR A 37 4.486 -0.876 3.878 1.00 0.00 C ATOM 475 CD1 TYR A 37 4.357 -1.031 5.253 1.00 0.00 C ATOM 476 CD2 TYR A 37 3.530 -1.467 3.061 1.00 0.00 C ATOM 477 CE1 TYR A 37 3.311 -1.751 5.796 1.00 0.00 C ATOM 478 CE2 TYR A 37 2.480 -2.188 3.595 1.00 0.00 C ATOM 479 CZ TYR A 37 2.374 -2.327 4.963 1.00 0.00 C ATOM 480 OH TYR A 37 1.330 -3.045 5.499 1.00 0.00 O ATOM 0 H TYR A 37 4.913 2.633 2.359 1.00 0.00 H new ATOM 0 HA TYR A 37 5.589 1.346 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.530 -0.069 2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.568 -0.602 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.088 -0.580 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.609 -1.361 1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.227 -1.863 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.746 -2.641 2.945 1.00 0.00 H new ATOM 0 HH TYR A 37 0.760 -3.383 4.777 1.00 0.00 H new ATOM 490 N CYS A 38 8.057 1.679 4.362 1.00 0.00 N ATOM 491 CA CYS A 38 9.413 2.180 4.174 1.00 0.00 C ATOM 492 C CYS A 38 10.155 1.359 3.124 1.00 0.00 C ATOM 493 O CYS A 38 11.296 1.663 2.775 1.00 0.00 O ATOM 494 CB CYS A 38 10.178 2.147 5.498 1.00 0.00 C ATOM 495 SG CYS A 38 10.298 0.491 6.247 1.00 0.00 S ATOM 0 H CYS A 38 7.926 1.126 5.209 1.00 0.00 H new ATOM 0 HA CYS A 38 9.349 3.210 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.184 2.533 5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.690 2.819 6.204 1.00 0.00 H new ATOM 500 N GLY A 39 9.499 0.317 2.622 1.00 0.00 N ATOM 501 CA GLY A 39 10.112 -0.532 1.617 1.00 0.00 C ATOM 502 C GLY A 39 9.287 -1.768 1.320 1.00 0.00 C ATOM 503 O GLY A 39 8.695 -2.359 2.223 1.00 0.00 O ATOM 0 H GLY A 39 8.554 0.046 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.249 0.039 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.103 -0.833 1.956 1.00 0.00 H new ATOM 507 N SER A 40 9.245 -2.159 0.051 1.00 0.00 N ATOM 508 CA SER A 40 8.481 -3.330 -0.364 1.00 0.00 C ATOM 509 C SER A 40 8.598 -4.448 0.667 1.00 0.00 C ATOM 510 O SER A 40 7.624 -5.140 0.963 1.00 0.00 O ATOM 511 CB SER A 40 8.967 -3.826 -1.727 1.00 0.00 C ATOM 512 OG SER A 40 10.370 -4.024 -1.728 1.00 0.00 O ATOM 0 H SER A 40 9.731 -1.682 -0.708 1.00 0.00 H new ATOM 0 HA SER A 40 7.433 -3.040 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.465 -4.760 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.698 -3.103 -2.497 1.00 0.00 H new ATOM 0 HG SER A 40 10.655 -4.343 -2.610 1.00 0.00 H new ATOM 518 N PHE A 41 9.799 -4.620 1.211 1.00 0.00 N ATOM 519 CA PHE A 41 10.045 -5.654 2.209 1.00 0.00 C ATOM 520 C PHE A 41 9.115 -5.487 3.407 1.00 0.00 C ATOM 521 O PHE A 41 8.506 -6.450 3.874 1.00 0.00 O ATOM 522 CB PHE A 41 11.503 -5.610 2.671 1.00 0.00 C ATOM 523 CG PHE A 41 11.729 -4.715 3.856 1.00 0.00 C ATOM 524 CD1 PHE A 41 11.427 -5.150 5.137 1.00 0.00 C ATOM 525 CD2 PHE A 41 12.244 -3.440 3.690 1.00 0.00 C ATOM 526 CE1 PHE A 41 11.633 -4.329 6.229 1.00 0.00 C ATOM 527 CE2 PHE A 41 12.453 -2.614 4.779 1.00 0.00 C ATOM 528 CZ PHE A 41 12.148 -3.060 6.050 1.00 0.00 C ATOM 0 H PHE A 41 10.616 -4.057 0.977 1.00 0.00 H new ATOM 0 HA PHE A 41 9.846 -6.622 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.827 -6.620 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.128 -5.270 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.026 -6.142 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.485 -3.087 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.392 -4.679 7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.854 -1.622 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.312 -2.418 6.903 1.00 0.00 H new ATOM 538 N CYS A 42 9.010 -4.258 3.900 1.00 0.00 N ATOM 539 CA CYS A 42 8.155 -3.962 5.043 1.00 0.00 C ATOM 540 C CYS A 42 6.690 -4.234 4.713 1.00 0.00 C ATOM 541 O CYS A 42 5.878 -4.479 5.604 1.00 0.00 O ATOM 542 CB CYS A 42 8.330 -2.505 5.474 1.00 0.00 C ATOM 543 SG CYS A 42 7.717 -2.147 7.152 1.00 0.00 S ATOM 0 H CYS A 42 9.507 -3.450 3.525 1.00 0.00 H new ATOM 0 HA CYS A 42 8.451 -4.615 5.864 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.388 -2.247 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.810 -1.862 4.764 1.00 0.00 H new ATOM 548 N GLN A 43 6.362 -4.189 3.426 1.00 0.00 N ATOM 549 CA GLN A 43 4.995 -4.431 2.978 1.00 0.00 C ATOM 550 C GLN A 43 4.690 -5.924 2.942 1.00 0.00 C ATOM 551 O GLN A 43 3.761 -6.395 3.599 1.00 0.00 O ATOM 552 CB GLN A 43 4.775 -3.819 1.593 1.00 0.00 C ATOM 553 CG GLN A 43 3.358 -3.993 1.070 1.00 0.00 C ATOM 554 CD GLN A 43 3.199 -5.238 0.219 1.00 0.00 C ATOM 555 OE1 GLN A 43 3.507 -6.347 0.656 1.00 0.00 O ATOM 556 NE2 GLN A 43 2.717 -5.060 -1.006 1.00 0.00 N ATOM 0 H GLN A 43 7.023 -3.988 2.676 1.00 0.00 H new ATOM 0 HA GLN A 43 4.317 -3.958 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.011 -2.756 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.472 -4.274 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.667 -4.042 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.082 -3.118 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.475 -4.123 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.589 -5.861 -1.625 1.00 0.00 H new ATOM 565 N HIS A 44 5.477 -6.666 2.169 1.00 0.00 N ATOM 566 CA HIS A 44 5.291 -8.107 2.047 1.00 0.00 C ATOM 567 C HIS A 44 5.028 -8.738 3.411 1.00 0.00 C ATOM 568 O HIS A 44 4.119 -9.554 3.566 1.00 0.00 O ATOM 569 CB HIS A 44 6.520 -8.749 1.403 1.00 0.00 C ATOM 570 CG HIS A 44 6.626 -8.497 -0.069 1.00 0.00 C ATOM 571 ND1 HIS A 44 7.795 -8.666 -0.780 1.00 0.00 N ATOM 572 CD2 HIS A 44 5.699 -8.086 -0.966 1.00 0.00 C ATOM 573 CE1 HIS A 44 7.584 -8.369 -2.049 1.00 0.00 C ATOM 574 NE2 HIS A 44 6.319 -8.014 -2.189 1.00 0.00 N ATOM 0 H HIS A 44 6.250 -6.293 1.618 1.00 0.00 H new ATOM 0 HA HIS A 44 4.424 -8.284 1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 44 7.417 -8.370 1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.491 -9.824 1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 44 4.664 -7.857 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 44 8.320 -8.409 -2.838 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.875 -7.732 -3.063 1.00 0.00 H new ATOM 583 N LYS A 45 5.831 -8.356 4.399 1.00 0.00 N ATOM 584 CA LYS A 45 5.686 -8.883 5.751 1.00 0.00 C ATOM 585 C LYS A 45 4.406 -8.370 6.401 1.00 0.00 C ATOM 586 O LYS A 45 3.704 -9.114 7.085 1.00 0.00 O ATOM 587 CB LYS A 45 6.896 -8.494 6.604 1.00 0.00 C ATOM 588 CG LYS A 45 7.044 -6.995 6.802 1.00 0.00 C ATOM 589 CD LYS A 45 8.161 -6.669 7.779 1.00 0.00 C ATOM 590 CE LYS A 45 7.645 -6.587 9.207 1.00 0.00 C ATOM 591 NZ LYS A 45 7.557 -7.930 9.844 1.00 0.00 N ATOM 0 H LYS A 45 6.589 -7.683 4.288 1.00 0.00 H new ATOM 0 HA LYS A 45 5.629 -9.970 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.812 -8.974 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.800 -8.881 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.248 -6.519 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.105 -6.581 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.937 -7.432 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.623 -5.721 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.305 -5.949 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.661 -6.118 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.672 -7.834 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.629 -8.352 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.308 -8.543 9.467 1.00 0.00 H new ATOM 605 N ASP A 46 4.107 -7.094 6.181 1.00 0.00 N ATOM 606 CA ASP A 46 2.909 -6.482 6.743 1.00 0.00 C ATOM 607 C ASP A 46 1.730 -6.611 5.783 1.00 0.00 C ATOM 608 O ASP A 46 0.707 -5.948 5.949 1.00 0.00 O ATOM 609 CB ASP A 46 3.164 -5.008 7.061 1.00 0.00 C ATOM 610 CG ASP A 46 2.292 -4.499 8.192 1.00 0.00 C ATOM 611 OD1 ASP A 46 1.251 -5.131 8.467 1.00 0.00 O ATOM 612 OD2 ASP A 46 2.650 -3.469 8.801 1.00 0.00 O ATOM 0 H ASP A 46 4.678 -6.464 5.618 1.00 0.00 H new ATOM 0 HA ASP A 46 2.662 -7.008 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.213 -4.873 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.981 -4.410 6.168 1.00 0.00 H new ATOM 617 N TRP A 47 1.883 -7.467 4.780 1.00 0.00 N ATOM 618 CA TRP A 47 0.832 -7.682 3.792 1.00 0.00 C ATOM 619 C TRP A 47 -0.209 -8.669 4.310 1.00 0.00 C ATOM 620 O TRP A 47 -1.371 -8.314 4.505 1.00 0.00 O ATOM 621 CB TRP A 47 1.431 -8.196 2.482 1.00 0.00 C ATOM 622 CG TRP A 47 0.402 -8.692 1.512 1.00 0.00 C ATOM 623 CD1 TRP A 47 0.288 -9.960 1.016 1.00 0.00 C ATOM 624 CD2 TRP A 47 -0.655 -7.930 0.919 1.00 0.00 C ATOM 625 NE1 TRP A 47 -0.778 -10.031 0.151 1.00 0.00 N ATOM 626 CE2 TRP A 47 -1.373 -8.800 0.075 1.00 0.00 C ATOM 627 CE3 TRP A 47 -1.066 -6.599 1.021 1.00 0.00 C ATOM 628 CZ2 TRP A 47 -2.476 -8.378 -0.662 1.00 0.00 C ATOM 629 CZ3 TRP A 47 -2.162 -6.182 0.289 1.00 0.00 C ATOM 630 CH2 TRP A 47 -2.857 -7.069 -0.543 1.00 0.00 C ATOM 0 H TRP A 47 2.724 -8.024 4.629 1.00 0.00 H new ATOM 0 HA TRP A 47 0.341 -6.726 3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.004 -7.396 2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 47 2.130 -9.002 2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.939 -10.784 1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.077 -10.866 -0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.537 -5.908 1.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.012 -9.060 -1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.488 -5.155 0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.710 -6.713 -1.101 1.00 0.00 H new ATOM 641 N GLU A 48 0.216 -9.909 4.532 1.00 0.00 N ATOM 642 CA GLU A 48 -0.681 -10.946 5.027 1.00 0.00 C ATOM 643 C GLU A 48 -1.572 -10.408 6.143 1.00 0.00 C ATOM 644 O GLU A 48 -2.649 -10.944 6.407 1.00 0.00 O ATOM 645 CB GLU A 48 0.122 -12.146 5.536 1.00 0.00 C ATOM 646 CG GLU A 48 1.082 -11.803 6.662 1.00 0.00 C ATOM 647 CD GLU A 48 1.682 -13.034 7.313 1.00 0.00 C ATOM 648 OE1 GLU A 48 2.251 -13.873 6.584 1.00 0.00 O ATOM 649 OE2 GLU A 48 1.582 -13.158 8.552 1.00 0.00 O ATOM 0 H GLU A 48 1.175 -10.219 4.377 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.316 -11.266 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.569 -12.915 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.686 -12.573 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.884 -11.176 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.557 -11.217 7.416 1.00 0.00 H new ATOM 656 N LYS A 49 -1.116 -9.344 6.795 1.00 0.00 N ATOM 657 CA LYS A 49 -1.870 -8.730 7.881 1.00 0.00 C ATOM 658 C LYS A 49 -2.701 -7.557 7.372 1.00 0.00 C ATOM 659 O LYS A 49 -3.859 -7.391 7.755 1.00 0.00 O ATOM 660 CB LYS A 49 -0.921 -8.256 8.984 1.00 0.00 C ATOM 661 CG LYS A 49 -0.058 -9.365 9.562 1.00 0.00 C ATOM 662 CD LYS A 49 1.321 -9.387 8.925 1.00 0.00 C ATOM 663 CE LYS A 49 2.256 -8.384 9.583 1.00 0.00 C ATOM 664 NZ LYS A 49 2.404 -8.639 11.043 1.00 0.00 N ATOM 0 H LYS A 49 -0.227 -8.889 6.590 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.546 -9.481 8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.274 -7.475 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.506 -7.806 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.040 -9.228 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.547 -10.327 9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.744 -10.388 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.235 -9.163 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.234 -8.432 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.874 -7.375 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.328 -8.286 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.647 -8.148 11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.341 -9.661 11.225 1.00 0.00 H new ATOM 678 N HIS A 50 -2.102 -6.745 6.506 1.00 0.00 N ATOM 679 CA HIS A 50 -2.789 -5.588 5.942 1.00 0.00 C ATOM 680 C HIS A 50 -3.884 -6.024 4.974 1.00 0.00 C ATOM 681 O HIS A 50 -5.037 -5.611 5.097 1.00 0.00 O ATOM 682 CB HIS A 50 -1.792 -4.676 5.226 1.00 0.00 C ATOM 683 CG HIS A 50 -2.439 -3.684 4.310 1.00 0.00 C ATOM 684 ND1 HIS A 50 -3.155 -2.596 4.763 1.00 0.00 N ATOM 685 CD2 HIS A 50 -2.474 -3.619 2.958 1.00 0.00 C ATOM 686 CE1 HIS A 50 -3.604 -1.906 3.730 1.00 0.00 C ATOM 687 NE2 HIS A 50 -3.204 -2.505 2.623 1.00 0.00 N ATOM 0 H HIS A 50 -1.143 -6.867 6.180 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.252 -5.037 6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.203 -4.140 5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.098 -5.290 4.652 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.313 -2.361 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.014 -4.314 2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.197 -1.005 3.782 1.00 0.00 H new ATOM 696 N HIS A 51 -3.515 -6.862 4.010 1.00 0.00 N ATOM 697 CA HIS A 51 -4.466 -7.354 3.019 1.00 0.00 C ATOM 698 C HIS A 51 -5.790 -7.730 3.678 1.00 0.00 C ATOM 699 O HIS A 51 -6.830 -7.779 3.020 1.00 0.00 O ATOM 700 CB HIS A 51 -3.888 -8.563 2.283 1.00 0.00 C ATOM 701 CG HIS A 51 -4.927 -9.407 1.611 1.00 0.00 C ATOM 702 ND1 HIS A 51 -5.815 -8.909 0.680 1.00 0.00 N ATOM 703 CD2 HIS A 51 -5.215 -10.724 1.737 1.00 0.00 C ATOM 704 CE1 HIS A 51 -6.605 -9.883 0.265 1.00 0.00 C ATOM 705 NE2 HIS A 51 -6.262 -10.994 0.890 1.00 0.00 N ATOM 0 H HIS A 51 -2.565 -7.214 3.894 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.651 -6.555 2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.174 -8.216 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.334 -9.179 2.991 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.855 -7.941 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.715 -11.430 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.397 -9.787 -0.462 1.00 0.00 H new ATOM 714 N HIS A 52 -5.744 -7.995 4.980 1.00 0.00 N ATOM 715 CA HIS A 52 -6.940 -8.367 5.727 1.00 0.00 C ATOM 716 C HIS A 52 -7.961 -7.232 5.718 1.00 0.00 C ATOM 717 O HIS A 52 -9.073 -7.382 6.224 1.00 0.00 O ATOM 718 CB HIS A 52 -6.576 -8.728 7.167 1.00 0.00 C ATOM 719 CG HIS A 52 -5.825 -10.019 7.289 1.00 0.00 C ATOM 720 ND1 HIS A 52 -5.976 -11.064 6.402 1.00 0.00 N ATOM 721 CD2 HIS A 52 -4.911 -10.428 8.199 1.00 0.00 C ATOM 722 CE1 HIS A 52 -5.189 -12.062 6.763 1.00 0.00 C ATOM 723 NE2 HIS A 52 -4.531 -11.701 7.850 1.00 0.00 N ATOM 0 H HIS A 52 -4.892 -7.959 5.539 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.384 -9.237 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.974 -7.925 7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.489 -8.791 7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.548 -9.860 9.042 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.099 -13.011 6.256 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.851 -12.274 8.349 1.00 0.00 H new ATOM 732 N ILE A 53 -7.574 -6.100 5.140 1.00 0.00 N ATOM 733 CA ILE A 53 -8.456 -4.942 5.065 1.00 0.00 C ATOM 734 C ILE A 53 -8.677 -4.511 3.619 1.00 0.00 C ATOM 735 O ILE A 53 -9.742 -4.005 3.266 1.00 0.00 O ATOM 736 CB ILE A 53 -7.890 -3.751 5.863 1.00 0.00 C ATOM 737 CG1 ILE A 53 -6.836 -3.011 5.037 1.00 0.00 C ATOM 738 CG2 ILE A 53 -7.300 -4.230 7.181 1.00 0.00 C ATOM 739 CD1 ILE A 53 -6.234 -1.822 5.753 1.00 0.00 C ATOM 0 H ILE A 53 -6.656 -5.960 4.717 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.409 -5.242 5.501 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.703 -3.059 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.040 -3.706 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.288 -2.673 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.904 -3.378 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.076 -4.717 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.496 -4.939 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.495 -1.345 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.020 -1.107 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.752 -2.156 6.672 1.00 0.00 H new ATOM 751 N CYS A 54 -7.663 -4.717 2.785 1.00 0.00 N ATOM 752 CA CYS A 54 -7.745 -4.352 1.376 1.00 0.00 C ATOM 753 C CYS A 54 -7.837 -5.596 0.497 1.00 0.00 C ATOM 754 O CYS A 54 -7.595 -6.712 0.955 1.00 0.00 O ATOM 755 CB CYS A 54 -6.528 -3.518 0.972 1.00 0.00 C ATOM 756 SG CYS A 54 -5.011 -4.493 0.710 1.00 0.00 S ATOM 0 H CYS A 54 -6.774 -5.135 3.061 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.648 -3.758 1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.761 -2.975 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.339 -2.773 1.745 1.00 0.00 H new ATOM 761 N SER A 55 -8.190 -5.394 -0.769 1.00 0.00 N ATOM 762 CA SER A 55 -8.318 -6.498 -1.712 1.00 0.00 C ATOM 763 C SER A 55 -6.948 -7.052 -2.090 1.00 0.00 C ATOM 764 O SER A 55 -6.597 -8.173 -1.726 1.00 0.00 O ATOM 765 CB SER A 55 -9.060 -6.040 -2.969 1.00 0.00 C ATOM 766 OG SER A 55 -8.363 -4.991 -3.619 1.00 0.00 O ATOM 0 H SER A 55 -8.392 -4.476 -1.165 1.00 0.00 H new ATOM 0 HA SER A 55 -8.890 -7.290 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.177 -6.881 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.062 -5.704 -2.702 1.00 0.00 H new ATOM 0 HG SER A 55 -8.857 -4.717 -4.420 1.00 0.00 H new ATOM 772 N GLY A 56 -6.176 -6.256 -2.824 1.00 0.00 N ATOM 773 CA GLY A 56 -4.853 -6.682 -3.240 1.00 0.00 C ATOM 774 C GLY A 56 -4.732 -6.811 -4.746 1.00 0.00 C ATOM 775 O GLY A 56 -5.728 -6.858 -5.468 1.00 0.00 O ATOM 0 H GLY A 56 -6.444 -5.323 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.114 -5.966 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.621 -7.641 -2.776 1.00 0.00 H new ATOM 779 N PRO A 57 -3.487 -6.868 -5.240 1.00 0.00 N ATOM 780 CA PRO A 57 -3.209 -6.991 -6.674 1.00 0.00 C ATOM 781 C PRO A 57 -3.595 -8.360 -7.224 1.00 0.00 C ATOM 782 O PRO A 57 -4.081 -9.220 -6.489 1.00 0.00 O ATOM 783 CB PRO A 57 -1.695 -6.787 -6.762 1.00 0.00 C ATOM 784 CG PRO A 57 -1.180 -7.190 -5.423 1.00 0.00 C ATOM 785 CD PRO A 57 -2.253 -6.817 -4.437 1.00 0.00 C ATOM 0 HA PRO A 57 -3.784 -6.276 -7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.259 -7.396 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.448 -5.749 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.974 -8.260 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.245 -6.679 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.289 -7.514 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.087 -5.824 -4.018 1.00 0.00 H new ATOM 793 N SER A 58 -3.375 -8.556 -8.520 1.00 0.00 N ATOM 794 CA SER A 58 -3.703 -9.820 -9.169 1.00 0.00 C ATOM 795 C SER A 58 -3.174 -10.999 -8.358 1.00 0.00 C ATOM 796 O SER A 58 -2.014 -11.013 -7.945 1.00 0.00 O ATOM 797 CB SER A 58 -3.122 -9.857 -10.584 1.00 0.00 C ATOM 798 OG SER A 58 -3.489 -11.051 -11.254 1.00 0.00 O ATOM 0 H SER A 58 -2.971 -7.855 -9.142 1.00 0.00 H new ATOM 0 HA SER A 58 -4.788 -9.900 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.477 -8.995 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.036 -9.782 -10.537 1.00 0.00 H new ATOM 0 HG SER A 58 -3.107 -11.050 -12.157 1.00 0.00 H new ATOM 804 N SER A 59 -4.033 -11.989 -8.136 1.00 0.00 N ATOM 805 CA SER A 59 -3.655 -13.172 -7.372 1.00 0.00 C ATOM 806 C SER A 59 -3.537 -14.391 -8.281 1.00 0.00 C ATOM 807 O SER A 59 -4.475 -15.177 -8.409 1.00 0.00 O ATOM 808 CB SER A 59 -4.680 -13.442 -6.268 1.00 0.00 C ATOM 809 OG SER A 59 -4.210 -14.429 -5.366 1.00 0.00 O ATOM 0 H SER A 59 -4.995 -11.995 -8.474 1.00 0.00 H new ATOM 0 HA SER A 59 -2.683 -12.984 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.887 -12.519 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.620 -13.769 -6.712 1.00 0.00 H new ATOM 0 HG SER A 59 -4.882 -14.582 -4.669 1.00 0.00 H new ATOM 815 N GLY A 60 -2.376 -14.542 -8.912 1.00 0.00 N ATOM 816 CA GLY A 60 -2.156 -15.667 -9.802 1.00 0.00 C ATOM 817 C GLY A 60 -1.534 -16.854 -9.093 1.00 0.00 C ATOM 818 O GLY A 60 -0.611 -16.664 -8.303 1.00 0.00 O ATOM 0 H GLY A 60 -1.584 -13.905 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.106 -15.968 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.508 -15.357 -10.622 1.00 0.00 H new TER 822 GLY A 60 HETATM 823 ZN ZN A 201 8.410 0.086 7.652 1.00 0.00 ZN HETATM 824 ZN ZN A 401 -3.429 -2.705 0.588 1.00 0.00 ZN