USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=19 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= -6.39! C(o=-6.8!,f=-18!) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.405 K(o=-6.8,f=-5.9) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.335 K(o=-0.45,f=-1.8) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -113:sc= -0.113 (180deg=0) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.73 K(o=-1.9,f=-3.7) USER MOD Set 3.2: A 11 GLN : amide:sc= -2.64! C(o=-1.9!,f=-7.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -2:sc= 1.08 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0815 K(o=-0.082,f=-1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.056 (180deg=-0.35) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -28:sc= 0.167 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.51! C(o=-1.5!,f=-2!) USER MOD Single : A 34 THR OG1 : rot 56:sc= 0.0135 USER MOD Single : A 37 TYR OH : rot 11:sc= 0.212 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.89! C(o=-2.9!,f=-4.2!) USER MOD Single : A 52 HIS : no HD1:sc= -2.35 K(o=-2.4,f=-3.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 35:sc= 0.401 USER MOD Single : A 59 SER OG : rot -51:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.927 54.124 3.118 1.00 0.00 N ATOM 2 CA GLY A 1 -8.982 53.398 3.946 1.00 0.00 C ATOM 3 C GLY A 1 -9.310 51.921 4.041 1.00 0.00 C ATOM 4 O GLY A 1 -9.221 51.193 3.052 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.659 55.128 3.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.918 53.731 2.155 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.882 54.033 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.978 53.519 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.973 53.830 4.947 1.00 0.00 H new ATOM 8 N SER A 2 -9.690 51.476 5.235 1.00 0.00 N ATOM 9 CA SER A 2 -10.028 50.075 5.457 1.00 0.00 C ATOM 10 C SER A 2 -8.881 49.165 5.026 1.00 0.00 C ATOM 11 O SER A 2 -9.100 48.125 4.406 1.00 0.00 O ATOM 12 CB SER A 2 -11.301 49.708 4.691 1.00 0.00 C ATOM 13 OG SER A 2 -12.402 50.483 5.131 1.00 0.00 O ATOM 0 H SER A 2 -9.771 52.066 6.063 1.00 0.00 H new ATOM 0 HA SER A 2 -10.201 49.933 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.145 49.865 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.519 48.649 4.829 1.00 0.00 H new ATOM 0 HG SER A 2 -13.203 50.231 4.625 1.00 0.00 H new ATOM 19 N SER A 3 -7.659 49.566 5.359 1.00 0.00 N ATOM 20 CA SER A 3 -6.476 48.790 5.005 1.00 0.00 C ATOM 21 C SER A 3 -6.589 47.360 5.525 1.00 0.00 C ATOM 22 O SER A 3 -7.427 47.061 6.374 1.00 0.00 O ATOM 23 CB SER A 3 -5.218 49.453 5.568 1.00 0.00 C ATOM 24 OG SER A 3 -4.700 50.414 4.665 1.00 0.00 O ATOM 0 H SER A 3 -7.462 50.424 5.874 1.00 0.00 H new ATOM 0 HA SER A 3 -6.404 48.758 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.450 49.932 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.462 48.694 5.769 1.00 0.00 H new ATOM 0 HG SER A 3 -3.897 50.824 5.049 1.00 0.00 H new ATOM 30 N GLY A 4 -5.737 46.480 5.008 1.00 0.00 N ATOM 31 CA GLY A 4 -5.756 45.092 5.431 1.00 0.00 C ATOM 32 C GLY A 4 -5.937 44.135 4.270 1.00 0.00 C ATOM 33 O GLY A 4 -6.564 44.476 3.266 1.00 0.00 O ATOM 0 H GLY A 4 -5.034 46.704 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.825 44.860 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.563 44.945 6.148 1.00 0.00 H new ATOM 37 N SER A 5 -5.387 42.932 4.405 1.00 0.00 N ATOM 38 CA SER A 5 -5.486 41.924 3.356 1.00 0.00 C ATOM 39 C SER A 5 -5.157 40.538 3.902 1.00 0.00 C ATOM 40 O SER A 5 -4.012 40.252 4.252 1.00 0.00 O ATOM 41 CB SER A 5 -4.544 42.266 2.200 1.00 0.00 C ATOM 42 OG SER A 5 -5.020 43.381 1.467 1.00 0.00 O ATOM 0 H SER A 5 -4.868 42.632 5.230 1.00 0.00 H new ATOM 0 HA SER A 5 -6.512 41.917 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.549 42.481 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.448 41.405 1.538 1.00 0.00 H new ATOM 0 HG SER A 5 -5.877 43.676 1.840 1.00 0.00 H new ATOM 48 N SER A 6 -6.171 39.681 3.972 1.00 0.00 N ATOM 49 CA SER A 6 -5.992 38.325 4.479 1.00 0.00 C ATOM 50 C SER A 6 -6.958 37.359 3.800 1.00 0.00 C ATOM 51 O SER A 6 -7.871 37.775 3.087 1.00 0.00 O ATOM 52 CB SER A 6 -6.201 38.293 5.994 1.00 0.00 C ATOM 53 OG SER A 6 -7.430 38.901 6.352 1.00 0.00 O ATOM 0 H SER A 6 -7.124 39.901 3.684 1.00 0.00 H new ATOM 0 HA SER A 6 -4.973 38.011 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.186 37.261 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.378 38.809 6.489 1.00 0.00 H new ATOM 0 HG SER A 6 -7.541 38.866 7.325 1.00 0.00 H new ATOM 59 N GLY A 7 -6.750 36.066 4.028 1.00 0.00 N ATOM 60 CA GLY A 7 -7.610 35.060 3.432 1.00 0.00 C ATOM 61 C GLY A 7 -7.643 33.775 4.236 1.00 0.00 C ATOM 62 O GLY A 7 -7.145 33.727 5.361 1.00 0.00 O ATOM 0 H GLY A 7 -6.002 35.697 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.622 35.457 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.264 34.844 2.421 1.00 0.00 H new ATOM 66 N ILE A 8 -8.232 32.733 3.659 1.00 0.00 N ATOM 67 CA ILE A 8 -8.328 31.443 4.330 1.00 0.00 C ATOM 68 C ILE A 8 -7.933 30.306 3.394 1.00 0.00 C ATOM 69 O ILE A 8 -8.311 30.292 2.224 1.00 0.00 O ATOM 70 CB ILE A 8 -9.753 31.187 4.857 1.00 0.00 C ATOM 71 CG1 ILE A 8 -10.158 32.282 5.847 1.00 0.00 C ATOM 72 CG2 ILE A 8 -9.837 29.816 5.512 1.00 0.00 C ATOM 73 CD1 ILE A 8 -11.626 32.254 6.210 1.00 0.00 C ATOM 0 H ILE A 8 -8.650 32.757 2.729 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.637 31.474 5.173 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.446 31.209 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.565 32.177 6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.916 33.255 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.850 29.650 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.585 29.048 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.136 29.767 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.842 33.057 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.226 32.390 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -11.870 31.295 6.667 1.00 0.00 H new ATOM 85 N ASN A 9 -7.171 29.352 3.920 1.00 0.00 N ATOM 86 CA ASN A 9 -6.725 28.209 3.132 1.00 0.00 C ATOM 87 C ASN A 9 -6.889 26.910 3.916 1.00 0.00 C ATOM 88 O ASN A 9 -6.981 26.923 5.143 1.00 0.00 O ATOM 89 CB ASN A 9 -5.263 28.387 2.719 1.00 0.00 C ATOM 90 CG ASN A 9 -4.947 27.705 1.402 1.00 0.00 C ATOM 91 OD1 ASN A 9 -4.990 28.328 0.341 1.00 0.00 O ATOM 92 ND2 ASN A 9 -4.626 26.418 1.464 1.00 0.00 N ATOM 0 H ASN A 9 -6.850 29.348 4.888 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.344 28.153 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.038 29.450 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.616 27.983 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.403 25.906 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.603 25.941 2.365 1.00 0.00 H new ATOM 99 N GLN A 10 -6.924 25.792 3.198 1.00 0.00 N ATOM 100 CA GLN A 10 -7.076 24.486 3.826 1.00 0.00 C ATOM 101 C GLN A 10 -5.935 23.555 3.431 1.00 0.00 C ATOM 102 O GLN A 10 -5.436 23.612 2.308 1.00 0.00 O ATOM 103 CB GLN A 10 -8.417 23.862 3.435 1.00 0.00 C ATOM 104 CG GLN A 10 -9.602 24.442 4.191 1.00 0.00 C ATOM 105 CD GLN A 10 -9.842 23.752 5.519 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.662 22.540 5.643 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.250 24.521 6.522 1.00 0.00 N ATOM 0 H GLN A 10 -6.849 25.765 2.181 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.049 24.626 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.575 24.002 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.374 22.787 3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.433 25.505 4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.497 24.358 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.386 25.521 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.427 24.112 7.439 1.00 0.00 H new ATOM 116 N GLN A 11 -5.527 22.699 4.363 1.00 0.00 N ATOM 117 CA GLN A 11 -4.443 21.757 4.111 1.00 0.00 C ATOM 118 C GLN A 11 -4.756 20.392 4.717 1.00 0.00 C ATOM 119 O GLN A 11 -5.574 20.282 5.630 1.00 0.00 O ATOM 120 CB GLN A 11 -3.129 22.293 4.683 1.00 0.00 C ATOM 121 CG GLN A 11 -2.634 23.553 3.992 1.00 0.00 C ATOM 122 CD GLN A 11 -3.261 24.813 4.556 1.00 0.00 C ATOM 123 OE1 GLN A 11 -4.205 25.360 3.984 1.00 0.00 O ATOM 124 NE2 GLN A 11 -2.739 25.281 5.683 1.00 0.00 N ATOM 0 H GLN A 11 -5.930 22.639 5.298 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.340 21.641 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.262 22.499 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.365 21.520 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.550 23.615 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.853 23.488 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.957 24.796 6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.120 26.126 6.109 1.00 0.00 H new ATOM 133 N GLU A 12 -4.099 19.357 4.203 1.00 0.00 N ATOM 134 CA GLU A 12 -4.310 18.000 4.693 1.00 0.00 C ATOM 135 C GLU A 12 -3.011 17.411 5.236 1.00 0.00 C ATOM 136 O GLU A 12 -3.028 16.474 6.035 1.00 0.00 O ATOM 137 CB GLU A 12 -4.859 17.110 3.577 1.00 0.00 C ATOM 138 CG GLU A 12 -4.036 17.157 2.300 1.00 0.00 C ATOM 139 CD GLU A 12 -4.256 18.432 1.511 1.00 0.00 C ATOM 140 OE1 GLU A 12 -5.380 18.975 1.564 1.00 0.00 O ATOM 141 OE2 GLU A 12 -3.306 18.887 0.840 1.00 0.00 O ATOM 0 H GLU A 12 -3.417 19.432 3.448 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.037 18.042 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.903 16.081 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.881 17.413 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.979 17.067 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.290 16.300 1.677 1.00 0.00 H new ATOM 148 N ASP A 13 -1.887 17.966 4.797 1.00 0.00 N ATOM 149 CA ASP A 13 -0.579 17.496 5.238 1.00 0.00 C ATOM 150 C ASP A 13 -0.585 15.985 5.444 1.00 0.00 C ATOM 151 O ASP A 13 0.010 15.475 6.394 1.00 0.00 O ATOM 152 CB ASP A 13 -0.172 18.199 6.534 1.00 0.00 C ATOM 153 CG ASP A 13 1.156 17.702 7.070 1.00 0.00 C ATOM 154 OD1 ASP A 13 2.141 17.697 6.302 1.00 0.00 O ATOM 155 OD2 ASP A 13 1.212 17.317 8.257 1.00 0.00 O ATOM 0 H ASP A 13 -1.855 18.742 4.136 1.00 0.00 H new ATOM 0 HA ASP A 13 0.147 17.735 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.110 19.273 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.945 18.044 7.286 1.00 0.00 H new ATOM 160 N SER A 14 -1.262 15.273 4.548 1.00 0.00 N ATOM 161 CA SER A 14 -1.350 13.820 4.635 1.00 0.00 C ATOM 162 C SER A 14 -0.031 13.224 5.115 1.00 0.00 C ATOM 163 O SER A 14 1.045 13.647 4.693 1.00 0.00 O ATOM 164 CB SER A 14 -1.724 13.229 3.274 1.00 0.00 C ATOM 165 OG SER A 14 -2.313 11.949 3.419 1.00 0.00 O ATOM 0 H SER A 14 -1.757 15.679 3.754 1.00 0.00 H new ATOM 0 HA SER A 14 -2.126 13.570 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.418 13.896 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.834 13.155 2.649 1.00 0.00 H new ATOM 0 HG SER A 14 -2.545 11.593 2.536 1.00 0.00 H new ATOM 171 N SER A 15 -0.122 12.238 6.002 1.00 0.00 N ATOM 172 CA SER A 15 1.063 11.585 6.544 1.00 0.00 C ATOM 173 C SER A 15 1.371 10.298 5.784 1.00 0.00 C ATOM 174 O SER A 15 0.633 9.318 5.879 1.00 0.00 O ATOM 175 CB SER A 15 0.868 11.278 8.030 1.00 0.00 C ATOM 176 OG SER A 15 0.641 12.465 8.770 1.00 0.00 O ATOM 0 H SER A 15 -1.005 11.874 6.360 1.00 0.00 H new ATOM 0 HA SER A 15 1.906 12.266 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.024 10.600 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.749 10.767 8.418 1.00 0.00 H new ATOM 0 HG SER A 15 0.518 12.242 9.716 1.00 0.00 H new ATOM 182 N GLU A 16 2.465 10.311 5.029 1.00 0.00 N ATOM 183 CA GLU A 16 2.870 9.146 4.252 1.00 0.00 C ATOM 184 C GLU A 16 3.878 8.300 5.023 1.00 0.00 C ATOM 185 O GLU A 16 4.721 7.626 4.431 1.00 0.00 O ATOM 186 CB GLU A 16 3.471 9.582 2.914 1.00 0.00 C ATOM 187 CG GLU A 16 4.872 10.157 3.034 1.00 0.00 C ATOM 188 CD GLU A 16 4.870 11.663 3.214 1.00 0.00 C ATOM 189 OE1 GLU A 16 4.381 12.369 2.307 1.00 0.00 O ATOM 190 OE2 GLU A 16 5.358 12.135 4.262 1.00 0.00 O ATOM 0 H GLU A 16 3.086 11.115 4.939 1.00 0.00 H new ATOM 0 HA GLU A 16 1.983 8.541 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.495 8.726 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.819 10.328 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.380 9.694 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.443 9.902 2.141 1.00 0.00 H new ATOM 197 N SER A 17 3.785 8.342 6.349 1.00 0.00 N ATOM 198 CA SER A 17 4.692 7.583 7.203 1.00 0.00 C ATOM 199 C SER A 17 4.391 6.090 7.123 1.00 0.00 C ATOM 200 O SER A 17 3.231 5.680 7.073 1.00 0.00 O ATOM 201 CB SER A 17 4.581 8.061 8.652 1.00 0.00 C ATOM 202 OG SER A 17 3.236 8.031 9.097 1.00 0.00 O ATOM 0 H SER A 17 3.091 8.893 6.855 1.00 0.00 H new ATOM 0 HA SER A 17 5.710 7.750 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.194 7.429 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.972 9.075 8.735 1.00 0.00 H new ATOM 0 HG SER A 17 3.192 8.339 10.026 1.00 0.00 H new ATOM 208 N CYS A 18 5.445 5.280 7.112 1.00 0.00 N ATOM 209 CA CYS A 18 5.296 3.832 7.038 1.00 0.00 C ATOM 210 C CYS A 18 4.322 3.330 8.100 1.00 0.00 C ATOM 211 O CYS A 18 4.535 3.530 9.296 1.00 0.00 O ATOM 212 CB CYS A 18 6.654 3.149 7.212 1.00 0.00 C ATOM 213 SG CYS A 18 6.572 1.330 7.254 1.00 0.00 S ATOM 0 H CYS A 18 6.412 5.603 7.153 1.00 0.00 H new ATOM 0 HA CYS A 18 4.895 3.583 6.056 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.309 3.454 6.396 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.111 3.503 8.136 1.00 0.00 H new ATOM 218 N TRP A 19 3.255 2.677 7.655 1.00 0.00 N ATOM 219 CA TRP A 19 2.249 2.146 8.567 1.00 0.00 C ATOM 220 C TRP A 19 2.883 1.217 9.597 1.00 0.00 C ATOM 221 O TRP A 19 2.576 1.292 10.785 1.00 0.00 O ATOM 222 CB TRP A 19 1.167 1.398 7.786 1.00 0.00 C ATOM 223 CG TRP A 19 0.254 2.306 7.019 1.00 0.00 C ATOM 224 CD1 TRP A 19 0.537 3.564 6.570 1.00 0.00 C ATOM 225 CD2 TRP A 19 -1.090 2.026 6.612 1.00 0.00 C ATOM 226 NE1 TRP A 19 -0.550 4.083 5.909 1.00 0.00 N ATOM 227 CE2 TRP A 19 -1.561 3.159 5.920 1.00 0.00 C ATOM 228 CE3 TRP A 19 -1.941 0.928 6.764 1.00 0.00 C ATOM 229 CZ2 TRP A 19 -2.844 3.223 5.384 1.00 0.00 C ATOM 230 CZ3 TRP A 19 -3.214 0.993 6.231 1.00 0.00 C ATOM 231 CH2 TRP A 19 -3.656 2.133 5.547 1.00 0.00 C ATOM 0 H TRP A 19 3.064 2.502 6.668 1.00 0.00 H new ATOM 0 HA TRP A 19 1.794 2.985 9.094 1.00 0.00 H new ATOM 0 HB2 TRP A 19 1.643 0.704 7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.575 0.801 8.480 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.477 4.076 6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.597 5.007 5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.609 0.044 7.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.187 4.102 4.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.880 0.150 6.344 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.656 2.152 5.141 1.00 0.00 H new ATOM 242 N ASN A 20 3.769 0.342 9.132 1.00 0.00 N ATOM 243 CA ASN A 20 4.446 -0.601 10.014 1.00 0.00 C ATOM 244 C ASN A 20 5.320 0.132 11.027 1.00 0.00 C ATOM 245 O ASN A 20 4.976 0.227 12.206 1.00 0.00 O ATOM 246 CB ASN A 20 5.300 -1.573 9.196 1.00 0.00 C ATOM 247 CG ASN A 20 5.967 -2.625 10.061 1.00 0.00 C ATOM 248 OD1 ASN A 20 5.299 -3.470 10.657 1.00 0.00 O ATOM 249 ND2 ASN A 20 7.292 -2.577 10.134 1.00 0.00 N ATOM 0 H ASN A 20 4.035 0.267 8.150 1.00 0.00 H new ATOM 0 HA ASN A 20 3.686 -1.163 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.674 -2.063 8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.063 -1.014 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.797 -3.258 10.701 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.805 -1.859 9.623 1.00 0.00 H new ATOM 256 N CYS A 21 6.451 0.650 10.560 1.00 0.00 N ATOM 257 CA CYS A 21 7.375 1.375 11.424 1.00 0.00 C ATOM 258 C CYS A 21 6.772 2.704 11.870 1.00 0.00 C ATOM 259 O CYS A 21 6.402 2.871 13.031 1.00 0.00 O ATOM 260 CB CYS A 21 8.699 1.621 10.698 1.00 0.00 C ATOM 261 SG CYS A 21 9.348 0.162 9.821 1.00 0.00 S ATOM 0 H CYS A 21 6.750 0.581 9.587 1.00 0.00 H new ATOM 0 HA CYS A 21 7.561 0.765 12.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.563 2.432 9.982 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.441 1.956 11.422 1.00 0.00 H new ATOM 266 N GLY A 22 6.677 3.647 10.938 1.00 0.00 N ATOM 267 CA GLY A 22 6.119 4.949 11.254 1.00 0.00 C ATOM 268 C GLY A 22 7.102 6.077 11.007 1.00 0.00 C ATOM 269 O GLY A 22 6.727 7.249 11.015 1.00 0.00 O ATOM 0 H GLY A 22 6.976 3.533 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.224 5.113 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.809 4.964 12.299 1.00 0.00 H new ATOM 273 N ARG A 23 8.364 5.722 10.789 1.00 0.00 N ATOM 274 CA ARG A 23 9.404 6.713 10.542 1.00 0.00 C ATOM 275 C ARG A 23 9.209 7.379 9.183 1.00 0.00 C ATOM 276 O ARG A 23 8.955 8.580 9.098 1.00 0.00 O ATOM 277 CB ARG A 23 10.786 6.061 10.609 1.00 0.00 C ATOM 278 CG ARG A 23 11.894 7.021 11.010 1.00 0.00 C ATOM 279 CD ARG A 23 13.081 6.283 11.609 1.00 0.00 C ATOM 280 NE ARG A 23 12.955 6.125 13.055 1.00 0.00 N ATOM 281 CZ ARG A 23 13.309 7.060 13.930 1.00 0.00 C ATOM 282 NH1 ARG A 23 13.809 8.213 13.508 1.00 0.00 N ATOM 283 NH2 ARG A 23 13.163 6.842 15.231 1.00 0.00 N ATOM 0 H ARG A 23 8.691 4.756 10.778 1.00 0.00 H new ATOM 0 HA ARG A 23 9.333 7.478 11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.755 5.237 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.023 5.632 9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.219 7.588 10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.509 7.741 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.170 5.301 11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.998 6.827 11.382 1.00 0.00 H new ATOM 0 HE ARG A 23 12.574 5.249 13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.923 8.384 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.080 8.929 14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.779 5.956 15.560 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.435 7.560 15.902 1.00 0.00 H new ATOM 297 N LYS A 24 9.331 6.590 8.121 1.00 0.00 N ATOM 298 CA LYS A 24 9.168 7.100 6.765 1.00 0.00 C ATOM 299 C LYS A 24 8.761 5.984 5.808 1.00 0.00 C ATOM 300 O LYS A 24 9.222 4.850 5.931 1.00 0.00 O ATOM 301 CB LYS A 24 10.467 7.750 6.283 1.00 0.00 C ATOM 302 CG LYS A 24 10.433 8.170 4.823 1.00 0.00 C ATOM 303 CD LYS A 24 9.917 9.590 4.663 1.00 0.00 C ATOM 304 CE LYS A 24 10.404 10.217 3.366 1.00 0.00 C ATOM 305 NZ LYS A 24 11.873 10.462 3.386 1.00 0.00 N ATOM 0 H LYS A 24 9.542 5.594 8.174 1.00 0.00 H new ATOM 0 HA LYS A 24 8.376 7.849 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.676 8.625 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.290 7.051 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.434 8.096 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.797 7.486 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.827 9.586 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.247 10.195 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.156 9.562 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.881 11.159 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.112 11.198 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.160 10.777 4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.375 9.583 3.146 1.00 0.00 H new ATOM 319 N ALA A 25 7.895 6.314 4.856 1.00 0.00 N ATOM 320 CA ALA A 25 7.428 5.340 3.877 1.00 0.00 C ATOM 321 C ALA A 25 7.881 5.717 2.470 1.00 0.00 C ATOM 322 O ALA A 25 7.721 6.859 2.041 1.00 0.00 O ATOM 323 CB ALA A 25 5.912 5.221 3.931 1.00 0.00 C ATOM 0 H ALA A 25 7.502 7.248 4.742 1.00 0.00 H new ATOM 0 HA ALA A 25 7.866 4.373 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.578 4.490 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.608 4.898 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.463 6.189 3.711 1.00 0.00 H new ATOM 329 N SER A 26 8.446 4.748 1.756 1.00 0.00 N ATOM 330 CA SER A 26 8.926 4.979 0.399 1.00 0.00 C ATOM 331 C SER A 26 8.053 4.250 -0.618 1.00 0.00 C ATOM 332 O SER A 26 7.838 4.735 -1.728 1.00 0.00 O ATOM 333 CB SER A 26 10.379 4.519 0.264 1.00 0.00 C ATOM 334 OG SER A 26 10.483 3.113 0.401 1.00 0.00 O ATOM 0 H SER A 26 8.582 3.796 2.095 1.00 0.00 H new ATOM 0 HA SER A 26 8.871 6.049 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.771 4.823 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.991 5.008 1.022 1.00 0.00 H new ATOM 0 HG SER A 26 11.421 2.844 0.309 1.00 0.00 H new ATOM 340 N GLU A 27 7.554 3.081 -0.229 1.00 0.00 N ATOM 341 CA GLU A 27 6.705 2.283 -1.106 1.00 0.00 C ATOM 342 C GLU A 27 5.245 2.359 -0.667 1.00 0.00 C ATOM 343 O GLU A 27 4.898 3.104 0.250 1.00 0.00 O ATOM 344 CB GLU A 27 7.170 0.826 -1.117 1.00 0.00 C ATOM 345 CG GLU A 27 8.230 0.533 -2.166 1.00 0.00 C ATOM 346 CD GLU A 27 7.651 0.415 -3.562 1.00 0.00 C ATOM 347 OE1 GLU A 27 6.544 0.944 -3.793 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.307 -0.206 -4.425 1.00 0.00 O ATOM 0 H GLU A 27 7.723 2.666 0.687 1.00 0.00 H new ATOM 0 HA GLU A 27 6.785 2.690 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.565 0.572 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.310 0.180 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.978 1.326 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.743 -0.394 -1.910 1.00 0.00 H new ATOM 355 N THR A 28 4.393 1.583 -1.330 1.00 0.00 N ATOM 356 CA THR A 28 2.971 1.563 -1.011 1.00 0.00 C ATOM 357 C THR A 28 2.317 0.274 -1.495 1.00 0.00 C ATOM 358 O THR A 28 2.658 -0.246 -2.558 1.00 0.00 O ATOM 359 CB THR A 28 2.237 2.764 -1.637 1.00 0.00 C ATOM 360 OG1 THR A 28 2.941 3.976 -1.342 1.00 0.00 O ATOM 361 CG2 THR A 28 0.812 2.860 -1.114 1.00 0.00 C ATOM 0 H THR A 28 4.663 0.960 -2.091 1.00 0.00 H new ATOM 0 HA THR A 28 2.890 1.623 0.074 1.00 0.00 H new ATOM 0 HB THR A 28 2.202 2.618 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.426 3.875 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.314 3.715 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.270 1.948 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.829 2.985 -0.031 1.00 0.00 H new ATOM 369 N CYS A 29 1.375 -0.238 -0.710 1.00 0.00 N ATOM 370 CA CYS A 29 0.673 -1.466 -1.058 1.00 0.00 C ATOM 371 C CYS A 29 0.301 -1.480 -2.538 1.00 0.00 C ATOM 372 O CYS A 29 -0.426 -0.608 -3.014 1.00 0.00 O ATOM 373 CB CYS A 29 -0.587 -1.618 -0.204 1.00 0.00 C ATOM 374 SG CYS A 29 -1.722 -2.923 -0.777 1.00 0.00 S ATOM 0 H CYS A 29 1.080 0.180 0.173 1.00 0.00 H new ATOM 0 HA CYS A 29 1.341 -2.304 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.293 -1.833 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.121 -0.668 -0.191 1.00 0.00 H new ATOM 379 N SER A 30 0.806 -2.475 -3.261 1.00 0.00 N ATOM 380 CA SER A 30 0.531 -2.600 -4.687 1.00 0.00 C ATOM 381 C SER A 30 -0.819 -3.269 -4.923 1.00 0.00 C ATOM 382 O SER A 30 -0.993 -4.022 -5.881 1.00 0.00 O ATOM 383 CB SER A 30 1.638 -3.403 -5.373 1.00 0.00 C ATOM 384 OG SER A 30 2.875 -2.714 -5.322 1.00 0.00 O ATOM 0 H SER A 30 1.408 -3.206 -2.882 1.00 0.00 H new ATOM 0 HA SER A 30 0.500 -1.598 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.739 -4.375 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.365 -3.590 -6.412 1.00 0.00 H new ATOM 0 HG SER A 30 3.566 -3.249 -5.766 1.00 0.00 H new ATOM 390 N GLY A 31 -1.774 -2.989 -4.041 1.00 0.00 N ATOM 391 CA GLY A 31 -3.097 -3.571 -4.170 1.00 0.00 C ATOM 392 C GLY A 31 -4.201 -2.543 -4.013 1.00 0.00 C ATOM 393 O GLY A 31 -5.196 -2.575 -4.737 1.00 0.00 O ATOM 0 H GLY A 31 -1.655 -2.369 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.186 -4.050 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.222 -4.351 -3.419 1.00 0.00 H new ATOM 397 N CYS A 32 -4.026 -1.630 -3.064 1.00 0.00 N ATOM 398 CA CYS A 32 -5.015 -0.589 -2.813 1.00 0.00 C ATOM 399 C CYS A 32 -4.377 0.796 -2.878 1.00 0.00 C ATOM 400 O CYS A 32 -5.072 1.809 -2.942 1.00 0.00 O ATOM 401 CB CYS A 32 -5.669 -0.797 -1.445 1.00 0.00 C ATOM 402 SG CYS A 32 -4.520 -0.637 -0.040 1.00 0.00 S ATOM 0 H CYS A 32 -3.208 -1.590 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.779 -0.654 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.475 -0.073 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.123 -1.787 -1.418 1.00 0.00 H new ATOM 407 N ASN A 33 -3.048 0.830 -2.862 1.00 0.00 N ATOM 408 CA ASN A 33 -2.315 2.090 -2.919 1.00 0.00 C ATOM 409 C ASN A 33 -2.717 3.006 -1.766 1.00 0.00 C ATOM 410 O ASN A 33 -2.727 4.229 -1.905 1.00 0.00 O ATOM 411 CB ASN A 33 -2.569 2.791 -4.255 1.00 0.00 C ATOM 412 CG ASN A 33 -1.919 4.160 -4.322 1.00 0.00 C ATOM 413 OD1 ASN A 33 -2.587 5.184 -4.178 1.00 0.00 O ATOM 414 ND2 ASN A 33 -0.609 4.182 -4.541 1.00 0.00 N ATOM 0 H ASN A 33 -2.457 0.000 -2.810 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.252 1.868 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.188 2.171 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.643 2.894 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.116 5.073 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.096 3.308 -4.654 1.00 0.00 H new ATOM 421 N THR A 34 -3.048 2.405 -0.628 1.00 0.00 N ATOM 422 CA THR A 34 -3.451 3.165 0.549 1.00 0.00 C ATOM 423 C THR A 34 -2.443 3.002 1.680 1.00 0.00 C ATOM 424 O THR A 34 -2.086 3.971 2.350 1.00 0.00 O ATOM 425 CB THR A 34 -4.842 2.730 1.049 1.00 0.00 C ATOM 426 OG1 THR A 34 -5.829 3.002 0.048 1.00 0.00 O ATOM 427 CG2 THR A 34 -5.204 3.455 2.336 1.00 0.00 C ATOM 0 H THR A 34 -3.045 1.394 -0.496 1.00 0.00 H new ATOM 0 HA THR A 34 -3.491 4.213 0.251 1.00 0.00 H new ATOM 0 HB THR A 34 -4.814 1.659 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.579 2.556 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.190 3.132 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.466 3.223 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.216 4.530 2.157 1.00 0.00 H new ATOM 435 N ALA A 35 -1.986 1.772 1.887 1.00 0.00 N ATOM 436 CA ALA A 35 -1.016 1.483 2.937 1.00 0.00 C ATOM 437 C ALA A 35 0.398 1.842 2.491 1.00 0.00 C ATOM 438 O ALA A 35 0.850 1.417 1.428 1.00 0.00 O ATOM 439 CB ALA A 35 -1.090 0.017 3.335 1.00 0.00 C ATOM 0 H ALA A 35 -2.272 0.959 1.342 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.262 2.096 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.360 -0.184 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.091 -0.210 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.872 -0.607 2.468 1.00 0.00 H new ATOM 445 N ARG A 36 1.090 2.627 3.310 1.00 0.00 N ATOM 446 CA ARG A 36 2.452 3.044 2.998 1.00 0.00 C ATOM 447 C ARG A 36 3.468 2.175 3.733 1.00 0.00 C ATOM 448 O ARG A 36 3.177 1.624 4.795 1.00 0.00 O ATOM 449 CB ARG A 36 2.656 4.513 3.373 1.00 0.00 C ATOM 450 CG ARG A 36 1.684 5.458 2.687 1.00 0.00 C ATOM 451 CD ARG A 36 2.172 5.849 1.300 1.00 0.00 C ATOM 452 NE ARG A 36 1.473 7.024 0.785 1.00 0.00 N ATOM 453 CZ ARG A 36 0.267 6.976 0.229 1.00 0.00 C ATOM 454 NH1 ARG A 36 -0.370 5.819 0.118 1.00 0.00 N ATOM 455 NH2 ARG A 36 -0.303 8.088 -0.216 1.00 0.00 N ATOM 0 H ARG A 36 0.730 2.987 4.194 1.00 0.00 H new ATOM 0 HA ARG A 36 2.606 2.925 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.553 4.621 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.675 4.806 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.706 4.983 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.556 6.354 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.243 6.051 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.028 5.013 0.616 1.00 0.00 H new ATOM 0 HE ARG A 36 1.936 7.930 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.065 4.962 0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.296 5.785 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.184 8.980 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.229 8.051 -0.643 1.00 0.00 H new ATOM 469 N TYR A 37 4.660 2.056 3.160 1.00 0.00 N ATOM 470 CA TYR A 37 5.719 1.251 3.758 1.00 0.00 C ATOM 471 C TYR A 37 7.093 1.826 3.428 1.00 0.00 C ATOM 472 O TYR A 37 7.280 2.461 2.390 1.00 0.00 O ATOM 473 CB TYR A 37 5.627 -0.195 3.268 1.00 0.00 C ATOM 474 CG TYR A 37 4.492 -0.975 3.891 1.00 0.00 C ATOM 475 CD1 TYR A 37 4.390 -1.109 5.270 1.00 0.00 C ATOM 476 CD2 TYR A 37 3.521 -1.578 3.101 1.00 0.00 C ATOM 477 CE1 TYR A 37 3.355 -1.821 5.844 1.00 0.00 C ATOM 478 CE2 TYR A 37 2.482 -2.291 3.666 1.00 0.00 C ATOM 479 CZ TYR A 37 2.403 -2.410 5.038 1.00 0.00 C ATOM 480 OH TYR A 37 1.370 -3.120 5.605 1.00 0.00 O ATOM 0 H TYR A 37 4.918 2.507 2.282 1.00 0.00 H new ATOM 0 HA TYR A 37 5.588 1.270 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.505 -0.196 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.567 -0.703 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.133 -0.648 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.580 -1.488 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.291 -1.916 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.735 -2.753 3.037 1.00 0.00 H new ATOM 0 HH TYR A 37 1.359 -2.965 6.573 1.00 0.00 H new ATOM 490 N CYS A 38 8.052 1.597 4.318 1.00 0.00 N ATOM 491 CA CYS A 38 9.410 2.090 4.124 1.00 0.00 C ATOM 492 C CYS A 38 10.144 1.263 3.072 1.00 0.00 C ATOM 493 O CYS A 38 11.322 1.491 2.799 1.00 0.00 O ATOM 494 CB CYS A 38 10.182 2.056 5.445 1.00 0.00 C ATOM 495 SG CYS A 38 10.279 0.404 6.207 1.00 0.00 S ATOM 0 H CYS A 38 7.914 1.072 5.182 1.00 0.00 H new ATOM 0 HA CYS A 38 9.349 3.120 3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.193 2.425 5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.709 2.741 6.148 1.00 0.00 H new ATOM 500 N GLY A 39 9.438 0.302 2.484 1.00 0.00 N ATOM 501 CA GLY A 39 10.038 -0.545 1.470 1.00 0.00 C ATOM 502 C GLY A 39 9.272 -1.836 1.264 1.00 0.00 C ATOM 503 O GLY A 39 8.789 -2.439 2.223 1.00 0.00 O ATOM 0 H GLY A 39 8.461 0.095 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.085 0.000 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.064 -0.777 1.756 1.00 0.00 H new ATOM 507 N SER A 40 9.157 -2.261 0.010 1.00 0.00 N ATOM 508 CA SER A 40 8.438 -3.486 -0.319 1.00 0.00 C ATOM 509 C SER A 40 8.597 -4.523 0.788 1.00 0.00 C ATOM 510 O SER A 40 7.620 -5.124 1.236 1.00 0.00 O ATOM 511 CB SER A 40 8.943 -4.058 -1.645 1.00 0.00 C ATOM 512 OG SER A 40 9.107 -3.036 -2.613 1.00 0.00 O ATOM 0 H SER A 40 9.553 -1.775 -0.795 1.00 0.00 H new ATOM 0 HA SER A 40 7.380 -3.242 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.893 -4.568 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.239 -4.803 -2.015 1.00 0.00 H new ATOM 0 HG SER A 40 9.432 -3.428 -3.450 1.00 0.00 H new ATOM 518 N PHE A 41 9.835 -4.728 1.226 1.00 0.00 N ATOM 519 CA PHE A 41 10.123 -5.692 2.281 1.00 0.00 C ATOM 520 C PHE A 41 9.180 -5.502 3.465 1.00 0.00 C ATOM 521 O PHE A 41 8.601 -6.462 3.974 1.00 0.00 O ATOM 522 CB PHE A 41 11.575 -5.555 2.744 1.00 0.00 C ATOM 523 CG PHE A 41 11.753 -4.595 3.885 1.00 0.00 C ATOM 524 CD1 PHE A 41 11.213 -4.871 5.131 1.00 0.00 C ATOM 525 CD2 PHE A 41 12.459 -3.415 3.711 1.00 0.00 C ATOM 526 CE1 PHE A 41 11.374 -3.989 6.182 1.00 0.00 C ATOM 527 CE2 PHE A 41 12.623 -2.529 4.759 1.00 0.00 C ATOM 528 CZ PHE A 41 12.081 -2.817 5.996 1.00 0.00 C ATOM 0 H PHE A 41 10.655 -4.239 0.866 1.00 0.00 H new ATOM 0 HA PHE A 41 9.971 -6.692 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.946 -6.535 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.186 -5.225 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.660 -5.786 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.886 -3.185 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.948 -4.216 7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.174 -1.612 4.611 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.210 -2.127 6.817 1.00 0.00 H new ATOM 538 N CYS A 42 9.031 -4.255 3.900 1.00 0.00 N ATOM 539 CA CYS A 42 8.159 -3.936 5.025 1.00 0.00 C ATOM 540 C CYS A 42 6.696 -4.180 4.666 1.00 0.00 C ATOM 541 O CYS A 42 5.858 -4.386 5.543 1.00 0.00 O ATOM 542 CB CYS A 42 8.356 -2.480 5.452 1.00 0.00 C ATOM 543 SG CYS A 42 7.705 -2.098 7.110 1.00 0.00 S ATOM 0 H CYS A 42 9.503 -3.449 3.491 1.00 0.00 H new ATOM 0 HA CYS A 42 8.424 -4.590 5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.420 -2.246 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.871 -1.830 4.724 1.00 0.00 H new ATOM 548 N GLN A 43 6.399 -4.154 3.370 1.00 0.00 N ATOM 549 CA GLN A 43 5.037 -4.372 2.896 1.00 0.00 C ATOM 550 C GLN A 43 4.697 -5.859 2.882 1.00 0.00 C ATOM 551 O GLN A 43 3.742 -6.294 3.526 1.00 0.00 O ATOM 552 CB GLN A 43 4.863 -3.783 1.495 1.00 0.00 C ATOM 553 CG GLN A 43 3.451 -3.920 0.949 1.00 0.00 C ATOM 554 CD GLN A 43 3.256 -5.193 0.149 1.00 0.00 C ATOM 555 OE1 GLN A 43 3.576 -6.288 0.613 1.00 0.00 O ATOM 556 NE2 GLN A 43 2.727 -5.057 -1.062 1.00 0.00 N ATOM 0 H GLN A 43 7.082 -3.985 2.631 1.00 0.00 H new ATOM 0 HA GLN A 43 4.355 -3.869 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.134 -2.728 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.557 -4.276 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.742 -3.903 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.224 -3.061 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.476 -4.131 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.572 -5.879 -1.646 1.00 0.00 H new ATOM 565 N HIS A 44 5.484 -6.634 2.142 1.00 0.00 N ATOM 566 CA HIS A 44 5.265 -8.073 2.044 1.00 0.00 C ATOM 567 C HIS A 44 5.068 -8.688 3.426 1.00 0.00 C ATOM 568 O HIS A 44 4.137 -9.463 3.645 1.00 0.00 O ATOM 569 CB HIS A 44 6.446 -8.742 1.339 1.00 0.00 C ATOM 570 CG HIS A 44 6.486 -8.487 -0.136 1.00 0.00 C ATOM 571 ND1 HIS A 44 7.094 -9.341 -1.031 1.00 0.00 N ATOM 572 CD2 HIS A 44 5.987 -7.466 -0.872 1.00 0.00 C ATOM 573 CE1 HIS A 44 6.969 -8.855 -2.254 1.00 0.00 C ATOM 574 NE2 HIS A 44 6.300 -7.718 -2.184 1.00 0.00 N ATOM 0 H HIS A 44 6.278 -6.290 1.602 1.00 0.00 H new ATOM 0 HA HIS A 44 4.360 -8.239 1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 44 7.374 -8.386 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.400 -9.817 1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.443 -6.612 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.349 -9.310 -3.157 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.056 -7.124 -2.976 1.00 0.00 H new ATOM 583 N LYS A 45 5.949 -8.337 4.356 1.00 0.00 N ATOM 584 CA LYS A 45 5.872 -8.853 5.718 1.00 0.00 C ATOM 585 C LYS A 45 4.622 -8.339 6.424 1.00 0.00 C ATOM 586 O LYS A 45 4.043 -9.031 7.262 1.00 0.00 O ATOM 587 CB LYS A 45 7.120 -8.452 6.508 1.00 0.00 C ATOM 588 CG LYS A 45 7.419 -6.963 6.458 1.00 0.00 C ATOM 589 CD LYS A 45 6.810 -6.232 7.642 1.00 0.00 C ATOM 590 CE LYS A 45 7.533 -6.568 8.937 1.00 0.00 C ATOM 591 NZ LYS A 45 7.107 -5.682 10.056 1.00 0.00 N ATOM 0 H LYS A 45 6.726 -7.697 4.192 1.00 0.00 H new ATOM 0 HA LYS A 45 5.817 -9.940 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.994 -8.754 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.978 -9.000 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.498 -6.808 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.029 -6.544 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.853 -5.157 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.757 -6.498 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.339 -7.607 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.609 -6.473 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.902 -5.074 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.311 -5.089 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.810 -6.264 10.866 1.00 0.00 H new ATOM 605 N ASP A 46 4.212 -7.123 6.081 1.00 0.00 N ATOM 606 CA ASP A 46 3.028 -6.518 6.681 1.00 0.00 C ATOM 607 C ASP A 46 1.837 -6.595 5.731 1.00 0.00 C ATOM 608 O ASP A 46 0.842 -5.894 5.910 1.00 0.00 O ATOM 609 CB ASP A 46 3.307 -5.061 7.052 1.00 0.00 C ATOM 610 CG ASP A 46 2.433 -4.576 8.192 1.00 0.00 C ATOM 611 OD1 ASP A 46 1.990 -5.420 8.999 1.00 0.00 O ATOM 612 OD2 ASP A 46 2.192 -3.354 8.277 1.00 0.00 O ATOM 0 H ASP A 46 4.682 -6.537 5.391 1.00 0.00 H new ATOM 0 HA ASP A 46 2.784 -7.075 7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.355 -4.955 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.144 -4.429 6.179 1.00 0.00 H new ATOM 617 N TRP A 47 1.948 -7.450 4.721 1.00 0.00 N ATOM 618 CA TRP A 47 0.880 -7.617 3.741 1.00 0.00 C ATOM 619 C TRP A 47 -0.159 -8.619 4.234 1.00 0.00 C ATOM 620 O TRP A 47 -1.357 -8.339 4.222 1.00 0.00 O ATOM 621 CB TRP A 47 1.456 -8.079 2.402 1.00 0.00 C ATOM 622 CG TRP A 47 0.419 -8.614 1.461 1.00 0.00 C ATOM 623 CD1 TRP A 47 0.315 -9.894 0.997 1.00 0.00 C ATOM 624 CD2 TRP A 47 -0.660 -7.882 0.869 1.00 0.00 C ATOM 625 NE1 TRP A 47 -0.763 -10.002 0.152 1.00 0.00 N ATOM 626 CE2 TRP A 47 -1.378 -8.782 0.058 1.00 0.00 C ATOM 627 CE3 TRP A 47 -1.090 -6.555 0.947 1.00 0.00 C ATOM 628 CZ2 TRP A 47 -2.500 -8.395 -0.669 1.00 0.00 C ATOM 629 CZ3 TRP A 47 -2.204 -6.172 0.225 1.00 0.00 C ATOM 630 CH2 TRP A 47 -2.899 -7.089 -0.575 1.00 0.00 C ATOM 0 H TRP A 47 2.766 -8.038 4.559 1.00 0.00 H new ATOM 0 HA TRP A 47 0.392 -6.652 3.605 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.969 -7.243 1.928 1.00 0.00 H new ATOM 0 HB3 TRP A 47 2.204 -8.851 2.584 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.982 -10.703 1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.057 -10.853 -0.327 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.561 -5.841 1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.037 -9.100 -1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.545 -5.149 0.278 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.766 -6.759 -1.128 1.00 0.00 H new ATOM 641 N GLU A 48 0.309 -9.786 4.667 1.00 0.00 N ATOM 642 CA GLU A 48 -0.582 -10.828 5.163 1.00 0.00 C ATOM 643 C GLU A 48 -1.466 -10.298 6.289 1.00 0.00 C ATOM 644 O GLU A 48 -2.463 -10.919 6.656 1.00 0.00 O ATOM 645 CB GLU A 48 0.227 -12.029 5.657 1.00 0.00 C ATOM 646 CG GLU A 48 1.291 -11.666 6.680 1.00 0.00 C ATOM 647 CD GLU A 48 2.126 -12.860 7.102 1.00 0.00 C ATOM 648 OE1 GLU A 48 1.541 -13.844 7.601 1.00 0.00 O ATOM 649 OE2 GLU A 48 3.362 -12.809 6.934 1.00 0.00 O ATOM 0 H GLU A 48 1.299 -10.033 4.684 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.223 -11.144 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.453 -12.759 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.704 -12.511 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.944 -10.900 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.812 -11.233 7.559 1.00 0.00 H new ATOM 656 N LYS A 49 -1.092 -9.145 6.833 1.00 0.00 N ATOM 657 CA LYS A 49 -1.849 -8.529 7.916 1.00 0.00 C ATOM 658 C LYS A 49 -2.705 -7.379 7.396 1.00 0.00 C ATOM 659 O LYS A 49 -3.858 -7.218 7.799 1.00 0.00 O ATOM 660 CB LYS A 49 -0.900 -8.021 9.005 1.00 0.00 C ATOM 661 CG LYS A 49 -0.039 -9.112 9.618 1.00 0.00 C ATOM 662 CD LYS A 49 -0.853 -10.023 10.521 1.00 0.00 C ATOM 663 CE LYS A 49 -0.861 -9.522 11.957 1.00 0.00 C ATOM 664 NZ LYS A 49 -1.807 -10.296 12.809 1.00 0.00 N ATOM 0 H LYS A 49 -0.269 -8.618 6.541 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.508 -9.286 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.252 -7.253 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.485 -7.546 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.422 -9.701 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.770 -8.659 10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.876 -10.085 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.441 -11.032 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.144 -9.594 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.138 -8.468 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.783 -9.924 13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.770 -10.207 12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.528 -11.298 12.815 1.00 0.00 H new ATOM 678 N HIS A 50 -2.135 -6.581 6.499 1.00 0.00 N ATOM 679 CA HIS A 50 -2.847 -5.446 5.922 1.00 0.00 C ATOM 680 C HIS A 50 -3.918 -5.918 4.944 1.00 0.00 C ATOM 681 O HIS A 50 -5.076 -5.505 5.028 1.00 0.00 O ATOM 682 CB HIS A 50 -1.869 -4.510 5.213 1.00 0.00 C ATOM 683 CG HIS A 50 -2.532 -3.554 4.270 1.00 0.00 C ATOM 684 ND1 HIS A 50 -3.271 -2.470 4.694 1.00 0.00 N ATOM 685 CD2 HIS A 50 -2.562 -3.522 2.917 1.00 0.00 C ATOM 686 CE1 HIS A 50 -3.729 -1.814 3.643 1.00 0.00 C ATOM 687 NE2 HIS A 50 -3.313 -2.431 2.552 1.00 0.00 N ATOM 0 H HIS A 50 -1.182 -6.699 6.156 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.333 -4.903 6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.314 -3.944 5.961 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.143 -5.107 4.661 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.438 -2.215 5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.084 -4.223 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.340 -0.924 3.671 1.00 0.00 H new ATOM 696 N HIS A 51 -3.525 -6.785 4.016 1.00 0.00 N ATOM 697 CA HIS A 51 -4.452 -7.313 3.021 1.00 0.00 C ATOM 698 C HIS A 51 -5.769 -7.728 3.672 1.00 0.00 C ATOM 699 O HIS A 51 -6.796 -7.842 3.001 1.00 0.00 O ATOM 700 CB HIS A 51 -3.830 -8.505 2.295 1.00 0.00 C ATOM 701 CG HIS A 51 -4.836 -9.391 1.627 1.00 0.00 C ATOM 702 ND1 HIS A 51 -5.753 -8.928 0.708 1.00 0.00 N ATOM 703 CD2 HIS A 51 -5.064 -10.720 1.747 1.00 0.00 C ATOM 704 CE1 HIS A 51 -6.504 -9.933 0.293 1.00 0.00 C ATOM 705 NE2 HIS A 51 -6.105 -11.032 0.908 1.00 0.00 N ATOM 0 H HIS A 51 -2.571 -7.137 3.932 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.658 -6.524 2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.128 -8.138 1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.255 -9.095 3.009 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.839 -7.960 0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.527 -11.407 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.307 -9.867 -0.426 1.00 0.00 H new ATOM 714 N HIS A 52 -5.731 -7.954 4.981 1.00 0.00 N ATOM 715 CA HIS A 52 -6.921 -8.358 5.722 1.00 0.00 C ATOM 716 C HIS A 52 -7.974 -7.254 5.700 1.00 0.00 C ATOM 717 O HIS A 52 -9.081 -7.430 6.210 1.00 0.00 O ATOM 718 CB HIS A 52 -6.556 -8.702 7.166 1.00 0.00 C ATOM 719 CG HIS A 52 -5.821 -9.999 7.306 1.00 0.00 C ATOM 720 ND1 HIS A 52 -5.987 -11.055 6.435 1.00 0.00 N ATOM 721 CD2 HIS A 52 -4.912 -10.408 8.221 1.00 0.00 C ATOM 722 CE1 HIS A 52 -5.213 -12.058 6.809 1.00 0.00 C ATOM 723 NE2 HIS A 52 -4.549 -11.691 7.891 1.00 0.00 N ATOM 0 H HIS A 52 -4.890 -7.864 5.551 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.337 -9.243 5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.943 -7.900 7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.468 -8.744 7.762 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.541 -9.832 9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.136 -13.015 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.877 -12.266 8.398 1.00 0.00 H new ATOM 732 N ILE A 53 -7.622 -6.119 5.106 1.00 0.00 N ATOM 733 CA ILE A 53 -8.538 -4.988 5.018 1.00 0.00 C ATOM 734 C ILE A 53 -8.764 -4.575 3.567 1.00 0.00 C ATOM 735 O ILE A 53 -9.846 -4.114 3.203 1.00 0.00 O ATOM 736 CB ILE A 53 -8.013 -3.775 5.809 1.00 0.00 C ATOM 737 CG1 ILE A 53 -7.002 -2.991 4.970 1.00 0.00 C ATOM 738 CG2 ILE A 53 -7.384 -4.229 7.118 1.00 0.00 C ATOM 739 CD1 ILE A 53 -6.482 -1.747 5.658 1.00 0.00 C ATOM 0 H ILE A 53 -6.710 -5.958 4.679 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.483 -5.313 5.452 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.852 -3.119 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.161 -3.641 4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.468 -2.707 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.018 -3.361 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.130 -4.749 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.553 -4.903 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.770 -1.241 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.314 -1.077 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.987 -2.026 6.588 1.00 0.00 H new ATOM 751 N CYS A 54 -7.736 -4.746 2.743 1.00 0.00 N ATOM 752 CA CYS A 54 -7.821 -4.393 1.331 1.00 0.00 C ATOM 753 C CYS A 54 -7.892 -5.645 0.461 1.00 0.00 C ATOM 754 O CYS A 54 -7.614 -6.751 0.923 1.00 0.00 O ATOM 755 CB CYS A 54 -6.616 -3.543 0.922 1.00 0.00 C ATOM 756 SG CYS A 54 -5.083 -4.495 0.678 1.00 0.00 S ATOM 0 H CYS A 54 -6.834 -5.127 3.029 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.733 -3.815 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.854 -3.015 -0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.443 -2.786 1.687 1.00 0.00 H new ATOM 761 N SER A 55 -8.267 -5.461 -0.801 1.00 0.00 N ATOM 762 CA SER A 55 -8.378 -6.575 -1.736 1.00 0.00 C ATOM 763 C SER A 55 -7.000 -7.115 -2.104 1.00 0.00 C ATOM 764 O SER A 55 -6.632 -8.223 -1.718 1.00 0.00 O ATOM 765 CB SER A 55 -9.121 -6.136 -2.999 1.00 0.00 C ATOM 766 OG SER A 55 -10.446 -5.734 -2.698 1.00 0.00 O ATOM 0 H SER A 55 -8.499 -4.551 -1.200 1.00 0.00 H new ATOM 0 HA SER A 55 -8.942 -7.371 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.586 -5.312 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.141 -6.956 -3.717 1.00 0.00 H new ATOM 0 HG SER A 55 -10.899 -5.457 -3.522 1.00 0.00 H new ATOM 772 N GLY A 56 -6.242 -6.322 -2.856 1.00 0.00 N ATOM 773 CA GLY A 56 -4.913 -6.737 -3.265 1.00 0.00 C ATOM 774 C GLY A 56 -4.785 -6.872 -4.769 1.00 0.00 C ATOM 775 O GLY A 56 -5.777 -6.926 -5.496 1.00 0.00 O ATOM 0 H GLY A 56 -6.525 -5.400 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.183 -6.012 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.673 -7.691 -2.796 1.00 0.00 H new ATOM 779 N PRO A 57 -3.537 -6.926 -5.258 1.00 0.00 N ATOM 780 CA PRO A 57 -3.254 -7.055 -6.691 1.00 0.00 C ATOM 781 C PRO A 57 -3.632 -8.428 -7.235 1.00 0.00 C ATOM 782 O PRO A 57 -4.139 -8.546 -8.351 1.00 0.00 O ATOM 783 CB PRO A 57 -1.739 -6.846 -6.773 1.00 0.00 C ATOM 784 CG PRO A 57 -1.229 -7.241 -5.430 1.00 0.00 C ATOM 785 CD PRO A 57 -2.307 -6.867 -4.451 1.00 0.00 C ATOM 0 HA PRO A 57 -3.829 -6.345 -7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.297 -7.457 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.494 -5.808 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.020 -8.310 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.297 -6.725 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.344 -7.560 -3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.146 -5.872 -4.037 1.00 0.00 H new ATOM 793 N SER A 58 -3.383 -9.464 -6.441 1.00 0.00 N ATOM 794 CA SER A 58 -3.694 -10.830 -6.846 1.00 0.00 C ATOM 795 C SER A 58 -3.475 -11.802 -5.690 1.00 0.00 C ATOM 796 O SER A 58 -2.359 -11.952 -5.194 1.00 0.00 O ATOM 797 CB SER A 58 -2.833 -11.239 -8.042 1.00 0.00 C ATOM 798 OG SER A 58 -1.453 -11.163 -7.727 1.00 0.00 O ATOM 0 H SER A 58 -2.967 -9.384 -5.513 1.00 0.00 H new ATOM 0 HA SER A 58 -4.744 -10.867 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.085 -12.255 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.052 -10.590 -8.890 1.00 0.00 H new ATOM 0 HG SER A 58 -1.317 -11.415 -6.790 1.00 0.00 H new ATOM 804 N SER A 59 -4.550 -12.460 -5.267 1.00 0.00 N ATOM 805 CA SER A 59 -4.478 -13.415 -4.167 1.00 0.00 C ATOM 806 C SER A 59 -4.111 -14.805 -4.679 1.00 0.00 C ATOM 807 O SER A 59 -4.665 -15.809 -4.233 1.00 0.00 O ATOM 808 CB SER A 59 -5.813 -13.469 -3.422 1.00 0.00 C ATOM 809 OG SER A 59 -5.710 -14.256 -2.248 1.00 0.00 O ATOM 0 H SER A 59 -5.481 -12.349 -5.669 1.00 0.00 H new ATOM 0 HA SER A 59 -3.700 -13.083 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.128 -12.459 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.581 -13.883 -4.075 1.00 0.00 H new ATOM 0 HG SER A 59 -5.318 -15.126 -2.471 1.00 0.00 H new ATOM 815 N GLY A 60 -3.171 -14.854 -5.618 1.00 0.00 N ATOM 816 CA GLY A 60 -2.746 -16.125 -6.176 1.00 0.00 C ATOM 817 C GLY A 60 -3.884 -17.119 -6.287 1.00 0.00 C ATOM 818 O GLY A 60 -3.763 -18.086 -7.038 1.00 0.00 O ATOM 0 H GLY A 60 -2.696 -14.037 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.315 -15.959 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.959 -16.547 -5.552 1.00 0.00 H new TER 822 GLY A 60 HETATM 823 ZN ZN A 201 8.395 0.128 7.640 1.00 0.00 ZN HETATM 824 ZN ZN A 401 -3.524 -2.682 0.608 1.00 0.00 ZN