USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 42 HIS HD1 : A 42 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.058 X(o=-0.058,f=-0.43) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0148 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -29:sc= 0.374 USER MOD Single : A 8 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.0083) USER MOD Single : A 9 SER OG : rot 59:sc= 0.00389 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.5!) USER MOD Single : A 23 SER OG : rot -63:sc= 0.786 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0613 (180deg=-0.541) USER MOD Single : A 40 ASN : amide:sc= -2.39 K(o=-2.4,f=-4) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -100:sc= 1.19 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.699 37.139 38.327 1.00 0.00 N ATOM 2 CA GLY A 1 -14.623 36.913 36.895 1.00 0.00 C ATOM 3 C GLY A 1 -13.855 35.654 36.547 1.00 0.00 C ATOM 4 O GLY A 1 -12.886 35.303 37.221 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.680 38.161 38.519 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.583 36.734 38.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.888 36.684 38.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.631 36.844 36.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.145 37.770 36.420 1.00 0.00 H new ATOM 8 N SER A 2 -14.289 34.970 35.494 1.00 0.00 N ATOM 9 CA SER A 2 -13.639 33.739 35.061 1.00 0.00 C ATOM 10 C SER A 2 -12.622 34.020 33.958 1.00 0.00 C ATOM 11 O SER A 2 -12.912 33.855 32.774 1.00 0.00 O ATOM 12 CB SER A 2 -14.680 32.734 34.565 1.00 0.00 C ATOM 13 OG SER A 2 -14.199 31.405 34.675 1.00 0.00 O ATOM 0 H SER A 2 -15.088 35.247 34.925 1.00 0.00 H new ATOM 0 HA SER A 2 -13.114 33.315 35.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.598 32.841 35.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.931 32.948 33.526 1.00 0.00 H new ATOM 0 HG SER A 2 -14.883 30.782 34.353 1.00 0.00 H new ATOM 19 N SER A 3 -11.428 34.446 34.358 1.00 0.00 N ATOM 20 CA SER A 3 -10.368 34.754 33.406 1.00 0.00 C ATOM 21 C SER A 3 -9.355 33.616 33.331 1.00 0.00 C ATOM 22 O SER A 3 -8.398 33.570 34.102 1.00 0.00 O ATOM 23 CB SER A 3 -9.663 36.054 33.798 1.00 0.00 C ATOM 24 OG SER A 3 -8.604 36.350 32.904 1.00 0.00 O ATOM 0 H SER A 3 -11.171 34.586 35.335 1.00 0.00 H new ATOM 0 HA SER A 3 -10.823 34.877 32.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.381 36.874 33.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.273 35.968 34.812 1.00 0.00 H new ATOM 0 HG SER A 3 -8.171 37.186 33.175 1.00 0.00 H new ATOM 30 N GLY A 4 -9.576 32.696 32.396 1.00 0.00 N ATOM 31 CA GLY A 4 -8.675 31.569 32.238 1.00 0.00 C ATOM 32 C GLY A 4 -7.694 31.767 31.100 1.00 0.00 C ATOM 33 O GLY A 4 -7.665 32.826 30.473 1.00 0.00 O ATOM 0 H GLY A 4 -10.362 32.711 31.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.124 31.415 33.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.257 30.665 32.059 1.00 0.00 H new ATOM 37 N SER A 5 -6.885 30.746 30.833 1.00 0.00 N ATOM 38 CA SER A 5 -5.893 30.815 29.767 1.00 0.00 C ATOM 39 C SER A 5 -5.666 29.439 29.147 1.00 0.00 C ATOM 40 O SER A 5 -5.827 28.414 29.808 1.00 0.00 O ATOM 41 CB SER A 5 -4.573 31.369 30.304 1.00 0.00 C ATOM 42 OG SER A 5 -4.246 32.600 29.684 1.00 0.00 O ATOM 0 H SER A 5 -6.898 29.861 31.341 1.00 0.00 H new ATOM 0 HA SER A 5 -6.272 31.485 28.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.646 31.510 31.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.775 30.647 30.130 1.00 0.00 H new ATOM 0 HG SER A 5 -3.399 32.934 30.046 1.00 0.00 H new ATOM 48 N SER A 6 -5.290 29.426 27.872 1.00 0.00 N ATOM 49 CA SER A 6 -5.044 28.178 27.160 1.00 0.00 C ATOM 50 C SER A 6 -4.147 28.411 25.948 1.00 0.00 C ATOM 51 O SER A 6 -4.577 28.975 24.943 1.00 0.00 O ATOM 52 CB SER A 6 -6.367 27.549 26.717 1.00 0.00 C ATOM 53 OG SER A 6 -7.299 27.517 27.783 1.00 0.00 O ATOM 0 H SER A 6 -5.149 30.266 27.311 1.00 0.00 H new ATOM 0 HA SER A 6 -4.535 27.495 27.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.782 28.116 25.884 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.189 26.536 26.355 1.00 0.00 H new ATOM 0 HG SER A 6 -6.819 27.451 28.635 1.00 0.00 H new ATOM 59 N GLY A 7 -2.896 27.972 26.052 1.00 0.00 N ATOM 60 CA GLY A 7 -1.957 28.142 24.959 1.00 0.00 C ATOM 61 C GLY A 7 -0.878 27.077 24.951 1.00 0.00 C ATOM 62 O GLY A 7 0.287 27.363 25.229 1.00 0.00 O ATOM 0 H GLY A 7 -2.516 27.502 26.874 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.497 28.115 24.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.492 29.125 25.033 1.00 0.00 H new ATOM 66 N HIS A 8 -1.265 25.846 24.634 1.00 0.00 N ATOM 67 CA HIS A 8 -0.321 24.735 24.592 1.00 0.00 C ATOM 68 C HIS A 8 0.000 24.348 23.151 1.00 0.00 C ATOM 69 O HIS A 8 -0.899 24.197 22.324 1.00 0.00 O ATOM 70 CB HIS A 8 -0.888 23.529 25.342 1.00 0.00 C ATOM 71 CG HIS A 8 -0.037 22.301 25.232 1.00 0.00 C ATOM 72 ND1 HIS A 8 0.855 21.913 26.210 1.00 0.00 N ATOM 73 CD2 HIS A 8 0.054 21.372 24.252 1.00 0.00 C ATOM 74 CE1 HIS A 8 1.458 20.799 25.835 1.00 0.00 C ATOM 75 NE2 HIS A 8 0.990 20.450 24.651 1.00 0.00 N ATOM 0 H HIS A 8 -2.225 25.592 24.402 1.00 0.00 H new ATOM 0 HA HIS A 8 0.601 25.055 25.077 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.004 23.788 26.395 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.883 23.307 24.957 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.505 21.358 23.328 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.207 20.265 26.401 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.277 19.629 24.119 1.00 0.00 H new ATOM 83 N SER A 9 1.287 24.191 22.859 1.00 0.00 N ATOM 84 CA SER A 9 1.726 23.826 21.517 1.00 0.00 C ATOM 85 C SER A 9 3.223 23.527 21.498 1.00 0.00 C ATOM 86 O SER A 9 4.003 24.166 22.204 1.00 0.00 O ATOM 87 CB SER A 9 1.407 24.950 20.530 1.00 0.00 C ATOM 88 OG SER A 9 0.458 24.528 19.566 1.00 0.00 O ATOM 0 H SER A 9 2.043 24.311 23.533 1.00 0.00 H new ATOM 0 HA SER A 9 1.189 22.926 21.218 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.021 25.814 21.071 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.321 25.269 20.030 1.00 0.00 H new ATOM 0 HG SER A 9 -0.364 24.245 20.018 1.00 0.00 H new ATOM 94 N SER A 10 3.614 22.551 20.686 1.00 0.00 N ATOM 95 CA SER A 10 5.016 22.163 20.577 1.00 0.00 C ATOM 96 C SER A 10 5.733 23.009 19.529 1.00 0.00 C ATOM 97 O SER A 10 6.933 23.262 19.635 1.00 0.00 O ATOM 98 CB SER A 10 5.130 20.681 20.218 1.00 0.00 C ATOM 99 OG SER A 10 6.187 20.063 20.932 1.00 0.00 O ATOM 0 H SER A 10 2.980 22.014 20.094 1.00 0.00 H new ATOM 0 HA SER A 10 5.491 22.333 21.543 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.191 20.176 20.443 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.300 20.575 19.147 1.00 0.00 H new ATOM 0 HG SER A 10 6.238 19.116 20.686 1.00 0.00 H new ATOM 105 N ALA A 11 4.989 23.443 18.517 1.00 0.00 N ATOM 106 CA ALA A 11 5.552 24.261 17.450 1.00 0.00 C ATOM 107 C ALA A 11 6.781 23.596 16.839 1.00 0.00 C ATOM 108 O ALA A 11 7.886 24.134 16.905 1.00 0.00 O ATOM 109 CB ALA A 11 5.905 25.644 17.977 1.00 0.00 C ATOM 0 H ALA A 11 3.994 23.242 18.414 1.00 0.00 H new ATOM 0 HA ALA A 11 4.800 24.363 16.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.325 26.245 17.170 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.006 26.128 18.360 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.637 25.552 18.779 1.00 0.00 H new ATOM 115 N GLN A 12 6.580 22.424 16.245 1.00 0.00 N ATOM 116 CA GLN A 12 7.673 21.686 15.623 1.00 0.00 C ATOM 117 C GLN A 12 7.427 21.505 14.129 1.00 0.00 C ATOM 118 O GLN A 12 6.443 22.008 13.586 1.00 0.00 O ATOM 119 CB GLN A 12 7.841 20.322 16.293 1.00 0.00 C ATOM 120 CG GLN A 12 7.916 20.394 17.810 1.00 0.00 C ATOM 121 CD GLN A 12 9.212 19.830 18.358 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.283 20.037 17.786 1.00 0.00 O ATOM 123 NE2 GLN A 12 9.122 19.112 19.471 1.00 0.00 N ATOM 0 H GLN A 12 5.671 21.965 16.181 1.00 0.00 H new ATOM 0 HA GLN A 12 8.588 22.263 15.754 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.006 19.682 16.009 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.748 19.850 15.915 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.814 21.432 18.126 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.076 19.846 18.238 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.214 18.966 19.912 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.961 18.707 19.886 1.00 0.00 H new ATOM 132 N PHE A 13 8.328 20.785 13.469 1.00 0.00 N ATOM 133 CA PHE A 13 8.210 20.539 12.036 1.00 0.00 C ATOM 134 C PHE A 13 9.067 19.349 11.616 1.00 0.00 C ATOM 135 O PHE A 13 9.733 19.384 10.581 1.00 0.00 O ATOM 136 CB PHE A 13 8.623 21.783 11.248 1.00 0.00 C ATOM 137 CG PHE A 13 7.761 22.044 10.045 1.00 0.00 C ATOM 138 CD1 PHE A 13 7.540 21.050 9.106 1.00 0.00 C ATOM 139 CD2 PHE A 13 7.171 23.283 9.855 1.00 0.00 C ATOM 140 CE1 PHE A 13 6.749 21.288 7.998 1.00 0.00 C ATOM 141 CE2 PHE A 13 6.378 23.527 8.750 1.00 0.00 C ATOM 142 CZ PHE A 13 6.166 22.528 7.821 1.00 0.00 C ATOM 0 H PHE A 13 9.148 20.362 13.903 1.00 0.00 H new ATOM 0 HA PHE A 13 7.167 20.308 11.817 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.585 22.650 11.907 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.658 21.672 10.926 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.991 20.078 9.241 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.333 24.068 10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.587 20.506 7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.925 24.498 8.613 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.545 22.716 6.957 1.00 0.00 H new ATOM 152 N ILE A 14 9.046 18.297 12.428 1.00 0.00 N ATOM 153 CA ILE A 14 9.821 17.096 12.140 1.00 0.00 C ATOM 154 C ILE A 14 9.034 16.132 11.259 1.00 0.00 C ATOM 155 O ILE A 14 7.892 15.787 11.564 1.00 0.00 O ATOM 156 CB ILE A 14 10.234 16.369 13.434 1.00 0.00 C ATOM 157 CG1 ILE A 14 10.894 17.350 14.407 1.00 0.00 C ATOM 158 CG2 ILE A 14 11.175 15.216 13.117 1.00 0.00 C ATOM 159 CD1 ILE A 14 12.132 18.014 13.848 1.00 0.00 C ATOM 0 H ILE A 14 8.502 18.252 13.289 1.00 0.00 H new ATOM 0 HA ILE A 14 10.718 17.419 11.611 1.00 0.00 H new ATOM 0 HB ILE A 14 9.340 15.963 13.907 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.172 18.119 14.681 1.00 0.00 H new ATOM 0 HG13 ILE A 14 11.158 16.820 15.322 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.458 14.712 14.041 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.674 14.508 12.457 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.069 15.600 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.546 18.695 14.591 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.872 17.253 13.600 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.871 18.573 12.949 1.00 0.00 H new ATOM 171 N ASP A 15 9.653 15.699 10.166 1.00 0.00 N ATOM 172 CA ASP A 15 9.012 14.772 9.241 1.00 0.00 C ATOM 173 C ASP A 15 10.049 14.062 8.377 1.00 0.00 C ATOM 174 O ASP A 15 10.070 14.222 7.157 1.00 0.00 O ATOM 175 CB ASP A 15 8.012 15.513 8.353 1.00 0.00 C ATOM 176 CG ASP A 15 7.068 14.571 7.632 1.00 0.00 C ATOM 177 OD1 ASP A 15 7.457 13.409 7.393 1.00 0.00 O ATOM 178 OD2 ASP A 15 5.939 14.996 7.307 1.00 0.00 O ATOM 0 H ASP A 15 10.598 15.975 9.899 1.00 0.00 H new ATOM 0 HA ASP A 15 8.480 14.023 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.433 16.206 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.554 16.110 7.620 1.00 0.00 H new ATOM 183 N SER A 16 10.910 13.278 9.019 1.00 0.00 N ATOM 184 CA SER A 16 11.954 12.547 8.309 1.00 0.00 C ATOM 185 C SER A 16 11.446 11.184 7.849 1.00 0.00 C ATOM 186 O SER A 16 10.298 10.819 8.103 1.00 0.00 O ATOM 187 CB SER A 16 13.181 12.371 9.206 1.00 0.00 C ATOM 188 OG SER A 16 12.801 12.065 10.536 1.00 0.00 O ATOM 0 H SER A 16 10.905 13.133 10.029 1.00 0.00 H new ATOM 0 HA SER A 16 12.235 13.126 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.812 11.574 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.777 13.284 9.196 1.00 0.00 H new ATOM 0 HG SER A 16 13.603 11.956 11.088 1.00 0.00 H new ATOM 194 N TYR A 17 12.309 10.436 7.171 1.00 0.00 N ATOM 195 CA TYR A 17 11.949 9.114 6.673 1.00 0.00 C ATOM 196 C TYR A 17 12.890 8.048 7.227 1.00 0.00 C ATOM 197 O TYR A 17 14.069 8.004 6.877 1.00 0.00 O ATOM 198 CB TYR A 17 11.983 9.096 5.144 1.00 0.00 C ATOM 199 CG TYR A 17 11.316 10.295 4.509 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.078 10.742 4.952 1.00 0.00 C ATOM 201 CD2 TYR A 17 11.925 10.982 3.465 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.465 11.837 4.374 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.320 12.078 2.882 1.00 0.00 C ATOM 204 CZ TYR A 17 10.090 12.502 3.340 1.00 0.00 C ATOM 205 OH TYR A 17 9.483 13.593 2.763 1.00 0.00 O ATOM 0 H TYR A 17 13.263 10.723 6.954 1.00 0.00 H new ATOM 0 HA TYR A 17 10.937 8.890 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.020 9.050 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.494 8.189 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.586 10.225 5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.888 10.653 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.501 12.170 4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.807 12.600 2.072 1.00 0.00 H new ATOM 0 HH TYR A 17 10.055 13.947 2.050 1.00 0.00 H new ATOM 215 N ILE A 18 12.358 7.191 8.092 1.00 0.00 N ATOM 216 CA ILE A 18 13.148 6.124 8.693 1.00 0.00 C ATOM 217 C ILE A 18 12.625 4.753 8.280 1.00 0.00 C ATOM 218 O ILE A 18 11.423 4.492 8.336 1.00 0.00 O ATOM 219 CB ILE A 18 13.146 6.220 10.230 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.437 7.655 10.674 1.00 0.00 C ATOM 221 CG2 ILE A 18 14.168 5.260 10.822 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.764 8.184 10.178 1.00 0.00 C ATOM 0 H ILE A 18 11.383 7.215 8.392 1.00 0.00 H new ATOM 0 HA ILE A 18 14.169 6.245 8.331 1.00 0.00 H new ATOM 0 HB ILE A 18 12.158 5.940 10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.639 8.306 10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.421 7.700 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.155 5.339 11.909 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.921 4.239 10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.162 5.513 10.452 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.903 9.206 10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.570 7.556 10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.776 8.172 9.088 1.00 0.00 H new ATOM 234 N CYS A 19 13.536 3.879 7.866 1.00 0.00 N ATOM 235 CA CYS A 19 13.168 2.532 7.444 1.00 0.00 C ATOM 236 C CYS A 19 12.315 1.844 8.505 1.00 0.00 C ATOM 237 O CYS A 19 12.437 2.131 9.696 1.00 0.00 O ATOM 238 CB CYS A 19 14.422 1.702 7.165 1.00 0.00 C ATOM 239 SG CYS A 19 14.095 0.121 6.320 1.00 0.00 S ATOM 0 H CYS A 19 14.535 4.079 7.814 1.00 0.00 H new ATOM 0 HA CYS A 19 12.583 2.612 6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.107 2.292 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.928 1.499 8.109 1.00 0.00 H new ATOM 244 N GLN A 20 11.451 0.935 8.064 1.00 0.00 N ATOM 245 CA GLN A 20 10.578 0.206 8.976 1.00 0.00 C ATOM 246 C GLN A 20 11.083 -1.217 9.194 1.00 0.00 C ATOM 247 O GLN A 20 10.318 -2.109 9.560 1.00 0.00 O ATOM 248 CB GLN A 20 9.149 0.174 8.431 1.00 0.00 C ATOM 249 CG GLN A 20 8.314 1.376 8.843 1.00 0.00 C ATOM 250 CD GLN A 20 7.798 1.269 10.264 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.931 0.228 10.909 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.204 2.347 10.762 1.00 0.00 N ATOM 0 H GLN A 20 11.337 0.686 7.081 1.00 0.00 H new ATOM 0 HA GLN A 20 10.583 0.724 9.935 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.185 0.123 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.657 -0.735 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.914 2.281 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.470 1.478 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.115 3.189 10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.837 2.333 11.713 1.00 0.00 H new ATOM 261 N VAL A 21 12.377 -1.422 8.965 1.00 0.00 N ATOM 262 CA VAL A 21 12.985 -2.736 9.136 1.00 0.00 C ATOM 263 C VAL A 21 14.300 -2.637 9.901 1.00 0.00 C ATOM 264 O VAL A 21 14.590 -3.462 10.768 1.00 0.00 O ATOM 265 CB VAL A 21 13.243 -3.416 7.779 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.784 -4.823 7.981 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.970 -3.441 6.945 1.00 0.00 C ATOM 0 H VAL A 21 13.024 -0.695 8.661 1.00 0.00 H new ATOM 0 HA VAL A 21 12.280 -3.339 9.708 1.00 0.00 H new ATOM 0 HB VAL A 21 13.993 -2.838 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.960 -5.288 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.721 -4.776 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.059 -5.415 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.171 -3.925 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.197 -3.995 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.629 -2.420 6.770 1.00 0.00 H new ATOM 277 N CYS A 22 15.093 -1.622 9.575 1.00 0.00 N ATOM 278 CA CYS A 22 16.378 -1.414 10.231 1.00 0.00 C ATOM 279 C CYS A 22 16.393 -0.091 10.992 1.00 0.00 C ATOM 280 O CYS A 22 17.285 0.162 11.801 1.00 0.00 O ATOM 281 CB CYS A 22 17.509 -1.434 9.201 1.00 0.00 C ATOM 282 SG CYS A 22 17.430 -0.083 7.983 1.00 0.00 S ATOM 0 H CYS A 22 14.868 -0.930 8.860 1.00 0.00 H new ATOM 0 HA CYS A 22 16.529 -2.225 10.944 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.464 -1.381 9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.488 -2.387 8.672 1.00 0.00 H new ATOM 287 N SER A 23 15.397 0.749 10.727 1.00 0.00 N ATOM 288 CA SER A 23 15.297 2.047 11.383 1.00 0.00 C ATOM 289 C SER A 23 16.541 2.889 11.115 1.00 0.00 C ATOM 290 O SER A 23 17.292 3.216 12.034 1.00 0.00 O ATOM 291 CB SER A 23 15.104 1.867 12.890 1.00 0.00 C ATOM 292 OG SER A 23 15.197 3.108 13.569 1.00 0.00 O ATOM 0 H SER A 23 14.648 0.553 10.063 1.00 0.00 H new ATOM 0 HA SER A 23 14.432 2.568 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.131 1.415 13.084 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.857 1.180 13.277 1.00 0.00 H new ATOM 0 HG SER A 23 16.099 3.475 13.459 1.00 0.00 H new ATOM 298 N ARG A 24 16.751 3.236 9.850 1.00 0.00 N ATOM 299 CA ARG A 24 17.904 4.038 9.459 1.00 0.00 C ATOM 300 C ARG A 24 17.466 5.278 8.684 1.00 0.00 C ATOM 301 O ARG A 24 16.308 5.397 8.286 1.00 0.00 O ATOM 302 CB ARG A 24 18.867 3.207 8.610 1.00 0.00 C ATOM 303 CG ARG A 24 19.786 2.315 9.428 1.00 0.00 C ATOM 304 CD ARG A 24 20.858 3.124 10.141 1.00 0.00 C ATOM 305 NE ARG A 24 21.769 2.274 10.903 1.00 0.00 N ATOM 306 CZ ARG A 24 21.440 1.682 12.045 1.00 0.00 C ATOM 307 NH1 ARG A 24 20.227 1.845 12.555 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.324 0.924 12.680 1.00 0.00 N ATOM 0 H ARG A 24 16.138 2.974 9.078 1.00 0.00 H new ATOM 0 HA ARG A 24 18.416 4.359 10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.290 2.587 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.473 3.878 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.199 1.761 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.257 1.580 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.425 3.699 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.385 3.841 10.812 1.00 0.00 H new ATOM 0 HE ARG A 24 22.710 2.127 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.544 2.426 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.977 1.389 13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.258 0.795 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.070 0.470 13.557 1.00 0.00 H new ATOM 322 N GLY A 25 18.401 6.200 8.475 1.00 0.00 N ATOM 323 CA GLY A 25 18.092 7.418 7.750 1.00 0.00 C ATOM 324 C GLY A 25 19.092 7.706 6.647 1.00 0.00 C ATOM 325 O GLY A 25 18.724 8.190 5.577 1.00 0.00 O ATOM 0 H GLY A 25 19.367 6.125 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.094 7.338 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.072 8.256 8.446 1.00 0.00 H new ATOM 329 N ASP A 26 20.360 7.409 6.909 1.00 0.00 N ATOM 330 CA ASP A 26 21.417 7.639 5.930 1.00 0.00 C ATOM 331 C ASP A 26 21.152 6.854 4.649 1.00 0.00 C ATOM 332 O ASP A 26 21.665 7.195 3.585 1.00 0.00 O ATOM 333 CB ASP A 26 22.775 7.246 6.512 1.00 0.00 C ATOM 334 CG ASP A 26 23.304 8.273 7.494 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.370 9.465 7.126 1.00 0.00 O ATOM 336 OD2 ASP A 26 23.653 7.886 8.629 1.00 0.00 O ATOM 0 H ASP A 26 20.681 7.009 7.790 1.00 0.00 H new ATOM 0 HA ASP A 26 21.428 8.702 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.687 6.281 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.492 7.121 5.701 1.00 0.00 H new ATOM 341 N GLU A 27 20.347 5.802 4.762 1.00 0.00 N ATOM 342 CA GLU A 27 20.016 4.968 3.613 1.00 0.00 C ATOM 343 C GLU A 27 18.815 5.531 2.860 1.00 0.00 C ATOM 344 O GLU A 27 18.379 4.969 1.855 1.00 0.00 O ATOM 345 CB GLU A 27 19.724 3.534 4.062 1.00 0.00 C ATOM 346 CG GLU A 27 20.973 2.692 4.260 1.00 0.00 C ATOM 347 CD GLU A 27 21.701 2.413 2.959 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.044 2.425 1.897 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.928 2.184 3.004 1.00 0.00 O ATOM 0 H GLU A 27 19.913 5.508 5.637 1.00 0.00 H new ATOM 0 HA GLU A 27 20.874 4.963 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.163 3.562 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.086 3.053 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.647 3.204 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.699 1.747 4.729 1.00 0.00 H new ATOM 356 N ASP A 28 18.284 6.644 3.353 1.00 0.00 N ATOM 357 CA ASP A 28 17.133 7.285 2.727 1.00 0.00 C ATOM 358 C ASP A 28 17.361 7.469 1.230 1.00 0.00 C ATOM 359 O ASP A 28 16.411 7.512 0.448 1.00 0.00 O ATOM 360 CB ASP A 28 16.857 8.639 3.384 1.00 0.00 C ATOM 361 CG ASP A 28 17.970 9.639 3.140 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.151 9.247 3.241 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.660 10.813 2.850 1.00 0.00 O ATOM 0 H ASP A 28 18.632 7.122 4.184 1.00 0.00 H new ATOM 0 HA ASP A 28 16.267 6.638 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.920 9.042 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.727 8.499 4.457 1.00 0.00 H new ATOM 368 N ASP A 29 18.626 7.579 0.839 1.00 0.00 N ATOM 369 CA ASP A 29 18.979 7.759 -0.565 1.00 0.00 C ATOM 370 C ASP A 29 18.307 6.700 -1.434 1.00 0.00 C ATOM 371 O ASP A 29 18.029 6.932 -2.611 1.00 0.00 O ATOM 372 CB ASP A 29 20.497 7.695 -0.743 1.00 0.00 C ATOM 373 CG ASP A 29 20.982 8.563 -1.887 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.225 8.734 -2.866 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.119 9.073 -1.804 1.00 0.00 O ATOM 0 H ASP A 29 19.424 7.547 1.474 1.00 0.00 H new ATOM 0 HA ASP A 29 18.625 8.740 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.982 8.011 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.796 6.662 -0.922 1.00 0.00 H new ATOM 380 N LYS A 30 18.050 5.536 -0.847 1.00 0.00 N ATOM 381 CA LYS A 30 17.411 4.441 -1.566 1.00 0.00 C ATOM 382 C LYS A 30 16.144 3.985 -0.850 1.00 0.00 C ATOM 383 O LYS A 30 15.782 2.809 -0.895 1.00 0.00 O ATOM 384 CB LYS A 30 18.379 3.265 -1.710 1.00 0.00 C ATOM 385 CG LYS A 30 19.426 3.467 -2.791 1.00 0.00 C ATOM 386 CD LYS A 30 20.400 2.302 -2.850 1.00 0.00 C ATOM 387 CE LYS A 30 20.626 1.837 -4.281 1.00 0.00 C ATOM 388 NZ LYS A 30 20.984 2.967 -5.182 1.00 0.00 N ATOM 0 H LYS A 30 18.275 5.327 0.126 1.00 0.00 H new ATOM 0 HA LYS A 30 17.137 4.802 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.881 3.100 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.810 2.362 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.935 3.581 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.973 4.390 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.351 2.599 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.016 1.474 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.422 1.092 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.724 1.349 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.540 2.608 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.116 3.418 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.547 3.666 -4.656 1.00 0.00 H new ATOM 402 N LEU A 31 15.473 4.923 -0.190 1.00 0.00 N ATOM 403 CA LEU A 31 14.244 4.619 0.535 1.00 0.00 C ATOM 404 C LEU A 31 13.032 4.705 -0.387 1.00 0.00 C ATOM 405 O LEU A 31 12.929 5.614 -1.211 1.00 0.00 O ATOM 406 CB LEU A 31 14.072 5.579 1.713 1.00 0.00 C ATOM 407 CG LEU A 31 14.299 4.984 3.103 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.111 6.045 4.175 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.359 3.811 3.340 1.00 0.00 C ATOM 0 H LEU A 31 15.760 5.901 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 31 14.318 3.599 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.761 6.413 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.063 5.990 1.676 1.00 0.00 H new ATOM 0 HG LEU A 31 15.325 4.619 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.277 5.603 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.825 6.853 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.097 6.441 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.534 3.399 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.326 4.151 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.542 3.041 2.591 1.00 0.00 H new ATOM 421 N LEU A 32 12.116 3.753 -0.242 1.00 0.00 N ATOM 422 CA LEU A 32 10.909 3.722 -1.060 1.00 0.00 C ATOM 423 C LEU A 32 9.724 4.316 -0.305 1.00 0.00 C ATOM 424 O LEU A 32 9.711 4.347 0.926 1.00 0.00 O ATOM 425 CB LEU A 32 10.592 2.287 -1.482 1.00 0.00 C ATOM 426 CG LEU A 32 11.457 1.710 -2.603 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.869 1.445 -2.106 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.835 0.435 -3.155 1.00 0.00 C ATOM 0 H LEU A 32 12.187 2.993 0.434 1.00 0.00 H new ATOM 0 HA LEU A 32 11.088 4.325 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.688 1.643 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.549 2.244 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 32 11.510 2.443 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.469 1.035 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.314 2.378 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.837 0.732 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.464 0.039 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.751 -0.303 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.844 0.656 -3.551 1.00 0.00 H new ATOM 440 N PHE A 33 8.728 4.784 -1.050 1.00 0.00 N ATOM 441 CA PHE A 33 7.538 5.375 -0.451 1.00 0.00 C ATOM 442 C PHE A 33 6.286 4.599 -0.849 1.00 0.00 C ATOM 443 O PHE A 33 6.048 4.345 -2.030 1.00 0.00 O ATOM 444 CB PHE A 33 7.400 6.839 -0.876 1.00 0.00 C ATOM 445 CG PHE A 33 8.679 7.619 -0.762 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.317 7.753 0.460 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.242 8.217 -1.877 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.493 8.471 0.568 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.419 8.936 -1.776 1.00 0.00 C ATOM 450 CZ PHE A 33 11.045 9.062 -0.552 1.00 0.00 C ATOM 0 H PHE A 33 8.722 4.765 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 33 7.646 5.327 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.050 6.878 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.636 7.317 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.891 7.291 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.756 8.121 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.980 8.570 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.848 9.398 -2.653 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.965 9.622 -0.470 1.00 0.00 H new ATOM 460 N CYS A 34 5.488 4.224 0.146 1.00 0.00 N ATOM 461 CA CYS A 34 4.261 3.475 -0.098 1.00 0.00 C ATOM 462 C CYS A 34 3.119 4.413 -0.478 1.00 0.00 C ATOM 463 O CYS A 34 2.966 5.488 0.101 1.00 0.00 O ATOM 464 CB CYS A 34 3.879 2.665 1.142 1.00 0.00 C ATOM 465 SG CYS A 34 2.243 1.871 1.037 1.00 0.00 S ATOM 0 H CYS A 34 5.670 4.427 1.129 1.00 0.00 H new ATOM 0 HA CYS A 34 4.440 2.792 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.634 1.896 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.897 3.322 2.012 1.00 0.00 H new ATOM 470 N ASP A 35 2.320 3.997 -1.454 1.00 0.00 N ATOM 471 CA ASP A 35 1.190 4.798 -1.911 1.00 0.00 C ATOM 472 C ASP A 35 -0.077 4.438 -1.142 1.00 0.00 C ATOM 473 O ASP A 35 -1.143 4.259 -1.731 1.00 0.00 O ATOM 474 CB ASP A 35 0.967 4.594 -3.411 1.00 0.00 C ATOM 475 CG ASP A 35 -0.074 5.542 -3.975 1.00 0.00 C ATOM 476 OD1 ASP A 35 -0.354 6.570 -3.324 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.608 5.255 -5.067 1.00 0.00 O ATOM 0 H ASP A 35 2.434 3.110 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 35 1.420 5.847 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.910 4.738 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.654 3.566 -3.593 1.00 0.00 H new ATOM 482 N GLY A 36 0.047 4.333 0.178 1.00 0.00 N ATOM 483 CA GLY A 36 -1.096 3.994 1.005 1.00 0.00 C ATOM 484 C GLY A 36 -0.910 4.413 2.450 1.00 0.00 C ATOM 485 O GLY A 36 -1.851 4.875 3.097 1.00 0.00 O ATOM 0 H GLY A 36 0.918 4.477 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.987 4.475 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.266 2.918 0.961 1.00 0.00 H new ATOM 489 N CYS A 37 0.306 4.250 2.960 1.00 0.00 N ATOM 490 CA CYS A 37 0.614 4.612 4.338 1.00 0.00 C ATOM 491 C CYS A 37 1.799 5.572 4.397 1.00 0.00 C ATOM 492 O CYS A 37 2.185 6.032 5.472 1.00 0.00 O ATOM 493 CB CYS A 37 0.917 3.359 5.161 1.00 0.00 C ATOM 494 SG CYS A 37 2.412 2.464 4.630 1.00 0.00 S ATOM 0 H CYS A 37 1.095 3.869 2.438 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.258 5.113 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.029 3.643 6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.063 2.684 5.103 1.00 0.00 H new ATOM 499 N ASP A 38 2.370 5.869 3.235 1.00 0.00 N ATOM 500 CA ASP A 38 3.510 6.775 3.154 1.00 0.00 C ATOM 501 C ASP A 38 4.611 6.352 4.122 1.00 0.00 C ATOM 502 O ASP A 38 5.033 7.131 4.976 1.00 0.00 O ATOM 503 CB ASP A 38 3.072 8.209 3.456 1.00 0.00 C ATOM 504 CG ASP A 38 4.124 9.229 3.068 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.262 8.820 2.757 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.809 10.438 3.075 1.00 0.00 O ATOM 0 H ASP A 38 2.063 5.496 2.337 1.00 0.00 H new ATOM 0 HA ASP A 38 3.906 6.730 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.147 8.424 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.854 8.303 4.520 1.00 0.00 H new ATOM 511 N ASP A 39 5.070 5.113 3.982 1.00 0.00 N ATOM 512 CA ASP A 39 6.121 4.585 4.844 1.00 0.00 C ATOM 513 C ASP A 39 7.469 4.602 4.130 1.00 0.00 C ATOM 514 O ASP A 39 7.567 5.027 2.980 1.00 0.00 O ATOM 515 CB ASP A 39 5.782 3.161 5.286 1.00 0.00 C ATOM 516 CG ASP A 39 4.988 3.128 6.577 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.418 4.175 6.949 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.939 2.057 7.217 1.00 0.00 O ATOM 0 H ASP A 39 4.731 4.456 3.280 1.00 0.00 H new ATOM 0 HA ASP A 39 6.188 5.223 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.212 2.666 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.704 2.595 5.416 1.00 0.00 H new ATOM 523 N ASN A 40 8.505 4.137 4.820 1.00 0.00 N ATOM 524 CA ASN A 40 9.848 4.101 4.252 1.00 0.00 C ATOM 525 C ASN A 40 10.423 2.689 4.307 1.00 0.00 C ATOM 526 O ASN A 40 10.533 2.093 5.378 1.00 0.00 O ATOM 527 CB ASN A 40 10.767 5.067 5.001 1.00 0.00 C ATOM 528 CG ASN A 40 10.032 6.297 5.499 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.067 6.616 6.687 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.361 6.993 4.589 1.00 0.00 N ATOM 0 H ASN A 40 8.441 3.780 5.773 1.00 0.00 H new ATOM 0 HA ASN A 40 9.783 4.408 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.220 4.551 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.580 5.375 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.847 7.830 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.360 6.691 3.615 1.00 0.00 H new ATOM 537 N TYR A 41 10.789 2.160 3.144 1.00 0.00 N ATOM 538 CA TYR A 41 11.351 0.817 3.059 1.00 0.00 C ATOM 539 C TYR A 41 12.513 0.775 2.071 1.00 0.00 C ATOM 540 O TYR A 41 12.423 1.311 0.965 1.00 0.00 O ATOM 541 CB TYR A 41 10.273 -0.184 2.638 1.00 0.00 C ATOM 542 CG TYR A 41 9.247 -0.456 3.714 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.454 -1.449 4.664 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.069 0.279 3.780 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.518 -1.701 5.648 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.129 0.034 4.762 1.00 0.00 C ATOM 547 CZ TYR A 41 7.358 -0.957 5.694 1.00 0.00 C ATOM 548 OH TYR A 41 6.423 -1.205 6.672 1.00 0.00 O ATOM 0 H TYR A 41 10.707 2.640 2.248 1.00 0.00 H new ATOM 0 HA TYR A 41 11.726 0.544 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.765 0.193 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.750 -1.123 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.362 -2.033 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.886 1.055 3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.694 -2.477 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.220 0.615 4.800 1.00 0.00 H new ATOM 0 HH TYR A 41 5.666 -0.593 6.563 1.00 0.00 H new ATOM 558 N HIS A 42 13.604 0.135 2.478 1.00 0.00 N ATOM 559 CA HIS A 42 14.785 0.021 1.630 1.00 0.00 C ATOM 560 C HIS A 42 14.598 -1.072 0.582 1.00 0.00 C ATOM 561 O HIS A 42 13.524 -1.664 0.474 1.00 0.00 O ATOM 562 CB HIS A 42 16.022 -0.276 2.478 1.00 0.00 C ATOM 563 CG HIS A 42 16.402 0.845 3.396 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.080 0.651 4.581 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.197 2.179 3.296 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.273 1.817 5.171 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.747 2.761 4.412 1.00 0.00 N ATOM 0 H HIS A 42 13.695 -0.313 3.390 1.00 0.00 H new ATOM 0 HA HIS A 42 14.926 0.972 1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.840 -1.173 3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.861 -0.494 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.694 2.691 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.776 1.972 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.749 3.759 4.620 1.00 0.00 H new ATOM 575 N ILE A 43 15.650 -1.334 -0.187 1.00 0.00 N ATOM 576 CA ILE A 43 15.600 -2.355 -1.225 1.00 0.00 C ATOM 577 C ILE A 43 16.334 -3.619 -0.789 1.00 0.00 C ATOM 578 O ILE A 43 16.291 -4.642 -1.472 1.00 0.00 O ATOM 579 CB ILE A 43 16.215 -1.849 -2.544 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.605 -1.261 -2.291 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.306 -0.813 -3.188 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.510 -1.308 -3.502 1.00 0.00 C ATOM 0 H ILE A 43 16.546 -0.853 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 43 14.547 -2.586 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 43 16.316 -2.692 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.499 -0.226 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.077 -1.805 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.754 -0.465 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.335 -1.261 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.177 0.030 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.478 -0.875 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.646 -2.343 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.059 -0.740 -4.316 1.00 0.00 H new ATOM 594 N PHE A 44 17.005 -3.541 0.356 1.00 0.00 N ATOM 595 CA PHE A 44 17.748 -4.679 0.885 1.00 0.00 C ATOM 596 C PHE A 44 17.203 -5.097 2.248 1.00 0.00 C ATOM 597 O PHE A 44 17.832 -5.872 2.970 1.00 0.00 O ATOM 598 CB PHE A 44 19.234 -4.336 1.001 1.00 0.00 C ATOM 599 CG PHE A 44 19.494 -2.999 1.634 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.564 -2.873 3.012 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.668 -1.869 0.851 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.802 -1.643 3.597 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.907 -0.637 1.431 1.00 0.00 C ATOM 604 CZ PHE A 44 19.975 -0.525 2.806 1.00 0.00 C ATOM 0 H PHE A 44 17.049 -2.702 0.935 1.00 0.00 H new ATOM 0 HA PHE A 44 17.628 -5.513 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.732 -5.109 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.681 -4.351 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.431 -3.745 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.616 -1.952 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.853 -1.557 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.040 0.236 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.163 0.436 3.262 1.00 0.00 H new ATOM 614 N CYS A 45 16.030 -4.577 2.595 1.00 0.00 N ATOM 615 CA CYS A 45 15.400 -4.893 3.871 1.00 0.00 C ATOM 616 C CYS A 45 14.152 -5.746 3.664 1.00 0.00 C ATOM 617 O CYS A 45 13.726 -6.472 4.563 1.00 0.00 O ATOM 618 CB CYS A 45 15.036 -3.608 4.616 1.00 0.00 C ATOM 619 SG CYS A 45 16.448 -2.795 5.431 1.00 0.00 S ATOM 0 H CYS A 45 15.496 -3.934 2.009 1.00 0.00 H new ATOM 0 HA CYS A 45 16.112 -5.462 4.469 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.584 -2.909 3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.280 -3.838 5.367 1.00 0.00 H new ATOM 624 N LEU A 46 13.569 -5.653 2.474 1.00 0.00 N ATOM 625 CA LEU A 46 12.369 -6.415 2.148 1.00 0.00 C ATOM 626 C LEU A 46 12.686 -7.902 2.022 1.00 0.00 C ATOM 627 O LEU A 46 13.779 -8.347 2.375 1.00 0.00 O ATOM 628 CB LEU A 46 11.753 -5.902 0.845 1.00 0.00 C ATOM 629 CG LEU A 46 11.636 -4.383 0.711 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.407 -3.992 -0.741 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.512 -3.855 1.591 1.00 0.00 C ATOM 0 H LEU A 46 13.908 -5.057 1.719 1.00 0.00 H new ATOM 0 HA LEU A 46 11.653 -6.282 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.350 -6.275 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.757 -6.334 0.742 1.00 0.00 H new ATOM 0 HG LEU A 46 12.572 -3.935 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.326 -2.908 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.245 -4.337 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.486 -4.451 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.443 -2.773 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.569 -4.310 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.718 -4.103 2.632 1.00 0.00 H new ATOM 643 N LEU A 47 11.724 -8.666 1.516 1.00 0.00 N ATOM 644 CA LEU A 47 11.901 -10.104 1.341 1.00 0.00 C ATOM 645 C LEU A 47 10.754 -10.699 0.531 1.00 0.00 C ATOM 646 O LEU A 47 9.636 -10.864 1.021 1.00 0.00 O ATOM 647 CB LEU A 47 11.992 -10.795 2.703 1.00 0.00 C ATOM 648 CG LEU A 47 13.015 -11.926 2.813 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.558 -12.018 4.231 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.394 -13.250 2.392 1.00 0.00 C ATOM 0 H LEU A 47 10.814 -8.314 1.220 1.00 0.00 H new ATOM 0 HA LEU A 47 12.830 -10.268 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.229 -10.042 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.009 -11.195 2.952 1.00 0.00 H new ATOM 0 HG LEU A 47 13.844 -11.706 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.285 -12.828 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.040 -11.078 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.738 -12.214 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.137 -14.043 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.546 -13.476 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.054 -13.180 1.359 1.00 0.00 H new ATOM 662 N PRO A 48 11.035 -11.031 -0.737 1.00 0.00 N ATOM 663 CA PRO A 48 12.361 -10.838 -1.331 1.00 0.00 C ATOM 664 C PRO A 48 12.694 -9.365 -1.540 1.00 0.00 C ATOM 665 O PRO A 48 11.819 -8.536 -1.791 1.00 0.00 O ATOM 666 CB PRO A 48 12.255 -11.559 -2.678 1.00 0.00 C ATOM 667 CG PRO A 48 10.802 -11.536 -3.006 1.00 0.00 C ATOM 668 CD PRO A 48 10.079 -11.620 -1.690 1.00 0.00 C ATOM 0 HA PRO A 48 13.155 -11.220 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.842 -11.054 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.630 -12.580 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.537 -10.623 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.535 -12.372 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.140 -11.067 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.836 -12.650 -1.430 1.00 0.00 H new ATOM 676 N PRO A 49 13.988 -9.029 -1.434 1.00 0.00 N ATOM 677 CA PRO A 49 14.466 -7.655 -1.609 1.00 0.00 C ATOM 678 C PRO A 49 14.361 -7.184 -3.056 1.00 0.00 C ATOM 679 O PRO A 49 14.087 -7.976 -3.959 1.00 0.00 O ATOM 680 CB PRO A 49 15.933 -7.731 -1.177 1.00 0.00 C ATOM 681 CG PRO A 49 16.321 -9.152 -1.403 1.00 0.00 C ATOM 682 CD PRO A 49 15.085 -9.966 -1.136 1.00 0.00 C ATOM 0 HA PRO A 49 13.875 -6.942 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.554 -7.053 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.053 -7.449 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.675 -9.303 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.133 -9.445 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.042 -10.851 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.048 -10.313 -0.103 1.00 0.00 H new ATOM 690 N LEU A 50 14.581 -5.892 -3.270 1.00 0.00 N ATOM 691 CA LEU A 50 14.512 -5.315 -4.608 1.00 0.00 C ATOM 692 C LEU A 50 15.892 -4.870 -5.082 1.00 0.00 C ATOM 693 O LEU A 50 16.808 -4.653 -4.288 1.00 0.00 O ATOM 694 CB LEU A 50 13.548 -4.128 -4.624 1.00 0.00 C ATOM 695 CG LEU A 50 12.061 -4.472 -4.722 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.211 -3.223 -4.550 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.756 -5.147 -6.051 1.00 0.00 C ATOM 0 H LEU A 50 14.809 -5.224 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 50 14.145 -6.083 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.706 -3.545 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.808 -3.486 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 50 11.816 -5.167 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.156 -3.488 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.408 -2.781 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.459 -2.504 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.693 -5.385 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.018 -4.476 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.338 -6.065 -6.135 1.00 0.00 H new ATOM 709 N PRO A 51 16.046 -4.729 -6.406 1.00 0.00 N ATOM 710 CA PRO A 51 17.311 -4.306 -7.016 1.00 0.00 C ATOM 711 C PRO A 51 17.635 -2.845 -6.723 1.00 0.00 C ATOM 712 O PRO A 51 18.773 -2.504 -6.404 1.00 0.00 O ATOM 713 CB PRO A 51 17.069 -4.511 -8.513 1.00 0.00 C ATOM 714 CG PRO A 51 15.592 -4.412 -8.675 1.00 0.00 C ATOM 715 CD PRO A 51 14.998 -4.971 -7.412 1.00 0.00 C ATOM 0 HA PRO A 51 18.160 -4.869 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.584 -3.754 -9.105 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.439 -5.481 -8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.285 -3.377 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.256 -4.975 -9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.066 -4.470 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.772 -6.033 -7.510 1.00 0.00 H new ATOM 723 N GLU A 52 16.626 -1.986 -6.834 1.00 0.00 N ATOM 724 CA GLU A 52 16.805 -0.561 -6.582 1.00 0.00 C ATOM 725 C GLU A 52 15.463 0.165 -6.583 1.00 0.00 C ATOM 726 O GLU A 52 14.412 -0.453 -6.756 1.00 0.00 O ATOM 727 CB GLU A 52 17.731 0.053 -7.635 1.00 0.00 C ATOM 728 CG GLU A 52 17.168 -0.001 -9.045 1.00 0.00 C ATOM 729 CD GLU A 52 18.187 -0.481 -10.061 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.564 -1.670 -10.008 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.606 0.333 -10.910 1.00 0.00 O ATOM 0 H GLU A 52 15.677 -2.252 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 52 17.259 -0.446 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.929 1.092 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.688 -0.469 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.303 -0.664 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.815 0.990 -9.330 1.00 0.00 H new ATOM 738 N ILE A 53 15.507 1.478 -6.387 1.00 0.00 N ATOM 739 CA ILE A 53 14.296 2.288 -6.366 1.00 0.00 C ATOM 740 C ILE A 53 13.440 2.030 -7.602 1.00 0.00 C ATOM 741 O ILE A 53 13.922 2.038 -8.734 1.00 0.00 O ATOM 742 CB ILE A 53 14.625 3.791 -6.288 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.074 4.165 -4.874 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.418 4.619 -6.703 1.00 0.00 C ATOM 745 CD1 ILE A 53 13.963 4.096 -3.849 1.00 0.00 C ATOM 0 H ILE A 53 16.369 2.004 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 53 13.739 1.999 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 53 15.443 4.005 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.880 3.498 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.483 5.175 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.666 5.679 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.140 4.369 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.582 4.403 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.353 4.374 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.165 4.784 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.569 3.081 -3.808 1.00 0.00 H new ATOM 757 N PRO A 54 12.138 1.796 -7.381 1.00 0.00 N ATOM 758 CA PRO A 54 11.186 1.533 -8.464 1.00 0.00 C ATOM 759 C PRO A 54 10.920 2.770 -9.315 1.00 0.00 C ATOM 760 O PRO A 54 11.370 3.869 -8.988 1.00 0.00 O ATOM 761 CB PRO A 54 9.915 1.110 -7.724 1.00 0.00 C ATOM 762 CG PRO A 54 10.027 1.749 -6.383 1.00 0.00 C ATOM 763 CD PRO A 54 11.494 1.771 -6.057 1.00 0.00 C ATOM 0 HA PRO A 54 11.559 0.783 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.021 1.446 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.848 0.025 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.615 2.758 -6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.469 1.186 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.761 2.646 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.791 0.894 -5.482 1.00 0.00 H new ATOM 771 N ARG A 55 10.188 2.585 -10.409 1.00 0.00 N ATOM 772 CA ARG A 55 9.863 3.686 -11.307 1.00 0.00 C ATOM 773 C ARG A 55 8.493 4.271 -10.977 1.00 0.00 C ATOM 774 O ARG A 55 8.392 5.352 -10.398 1.00 0.00 O ATOM 775 CB ARG A 55 9.890 3.211 -12.761 1.00 0.00 C ATOM 776 CG ARG A 55 11.220 3.449 -13.456 1.00 0.00 C ATOM 777 CD ARG A 55 11.026 3.835 -14.914 1.00 0.00 C ATOM 778 NE ARG A 55 12.217 3.564 -15.715 1.00 0.00 N ATOM 779 CZ ARG A 55 12.217 3.531 -17.043 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.096 3.752 -17.715 1.00 0.00 N ATOM 781 NH2 ARG A 55 13.341 3.278 -17.701 1.00 0.00 N ATOM 0 H ARG A 55 9.809 1.682 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 55 10.613 4.465 -11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.660 2.146 -12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.103 3.722 -13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.766 4.238 -12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.830 2.548 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.180 3.285 -15.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.779 4.895 -14.979 1.00 0.00 H new ATOM 0 HE ARG A 55 13.096 3.391 -15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.230 3.948 -17.212 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.099 3.726 -18.735 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.206 3.109 -17.187 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.340 3.253 -18.721 1.00 0.00 H new ATOM 795 N GLY A 56 7.441 3.549 -11.350 1.00 0.00 N ATOM 796 CA GLY A 56 6.092 4.013 -11.086 1.00 0.00 C ATOM 797 C GLY A 56 5.759 4.016 -9.607 1.00 0.00 C ATOM 798 O GLY A 56 6.628 4.256 -8.769 1.00 0.00 O ATOM 0 H GLY A 56 7.499 2.651 -11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.973 5.021 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.382 3.376 -11.614 1.00 0.00 H new ATOM 802 N ILE A 57 4.497 3.750 -9.286 1.00 0.00 N ATOM 803 CA ILE A 57 4.052 3.723 -7.898 1.00 0.00 C ATOM 804 C ILE A 57 4.443 2.414 -7.221 1.00 0.00 C ATOM 805 O ILE A 57 4.201 1.331 -7.753 1.00 0.00 O ATOM 806 CB ILE A 57 2.526 3.907 -7.793 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.110 5.253 -8.389 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.079 3.803 -6.342 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.611 5.436 -8.479 1.00 0.00 C ATOM 0 H ILE A 57 3.765 3.550 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 57 4.546 4.552 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 57 2.039 3.114 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.530 6.055 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.540 5.348 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.999 3.935 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.346 2.822 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.571 4.577 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.389 6.412 -8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.186 4.655 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.176 5.373 -7.481 1.00 0.00 H new ATOM 821 N TRP A 58 5.047 2.522 -6.043 1.00 0.00 N ATOM 822 CA TRP A 58 5.471 1.346 -5.291 1.00 0.00 C ATOM 823 C TRP A 58 4.736 1.259 -3.958 1.00 0.00 C ATOM 824 O TRP A 58 4.528 2.270 -3.286 1.00 0.00 O ATOM 825 CB TRP A 58 6.981 1.384 -5.053 1.00 0.00 C ATOM 826 CG TRP A 58 7.479 0.247 -4.213 1.00 0.00 C ATOM 827 CD1 TRP A 58 7.980 -0.943 -4.658 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.522 0.193 -2.783 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.331 -1.734 -3.591 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.061 -1.060 -2.430 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.159 1.081 -1.767 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.244 -1.444 -1.104 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.341 0.698 -0.452 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.880 -0.555 -0.129 1.00 0.00 C ATOM 0 H TRP A 58 5.254 3.411 -5.588 1.00 0.00 H new ATOM 0 HA TRP A 58 5.226 0.462 -5.879 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.494 1.367 -6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.242 2.325 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.085 -1.221 -5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.728 -2.671 -3.653 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.744 2.049 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.659 -2.409 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.063 1.376 0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.011 -0.824 0.909 1.00 0.00 H new ATOM 845 N ARG A 59 4.345 0.046 -3.580 1.00 0.00 N ATOM 846 CA ARG A 59 3.632 -0.171 -2.327 1.00 0.00 C ATOM 847 C ARG A 59 4.436 -1.072 -1.394 1.00 0.00 C ATOM 848 O ARG A 59 5.331 -1.797 -1.831 1.00 0.00 O ATOM 849 CB ARG A 59 2.261 -0.793 -2.597 1.00 0.00 C ATOM 850 CG ARG A 59 1.105 0.173 -2.398 1.00 0.00 C ATOM 851 CD ARG A 59 -0.129 -0.537 -1.865 1.00 0.00 C ATOM 852 NE ARG A 59 -1.241 -0.489 -2.811 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.372 -1.166 -2.651 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.541 -1.940 -1.587 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.338 -1.070 -3.556 1.00 0.00 N ATOM 0 H ARG A 59 4.510 -0.801 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 59 3.496 0.796 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.237 -1.169 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.124 -1.651 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.402 0.959 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.867 0.657 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.117 -1.576 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.433 -0.078 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.143 0.097 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.801 -2.016 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.411 -2.459 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.212 -0.476 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.206 -1.590 -3.432 1.00 0.00 H new ATOM 869 N CYS A 60 4.112 -1.021 -0.106 1.00 0.00 N ATOM 870 CA CYS A 60 4.804 -1.830 0.890 1.00 0.00 C ATOM 871 C CYS A 60 4.047 -3.128 1.156 1.00 0.00 C ATOM 872 O CYS A 60 2.849 -3.242 0.896 1.00 0.00 O ATOM 873 CB CYS A 60 4.965 -1.045 2.193 1.00 0.00 C ATOM 874 SG CYS A 60 3.453 -0.965 3.205 1.00 0.00 S ATOM 0 H CYS A 60 3.374 -0.427 0.272 1.00 0.00 H new ATOM 0 HA CYS A 60 5.791 -2.078 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.760 -1.500 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.285 -0.030 1.956 1.00 0.00 H new ATOM 879 N PRO A 61 4.762 -4.132 1.687 1.00 0.00 N ATOM 880 CA PRO A 61 4.179 -5.439 2.001 1.00 0.00 C ATOM 881 C PRO A 61 3.211 -5.375 3.178 1.00 0.00 C ATOM 882 O PRO A 61 2.316 -6.211 3.306 1.00 0.00 O ATOM 883 CB PRO A 61 5.397 -6.295 2.357 1.00 0.00 C ATOM 884 CG PRO A 61 6.422 -5.319 2.822 1.00 0.00 C ATOM 885 CD PRO A 61 6.194 -4.066 2.022 1.00 0.00 C ATOM 0 HA PRO A 61 3.592 -5.833 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.158 -7.019 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.750 -6.859 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.320 -5.124 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.429 -5.705 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.431 -3.172 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.816 -4.042 1.127 1.00 0.00 H new ATOM 893 N LYS A 62 3.396 -4.377 4.036 1.00 0.00 N ATOM 894 CA LYS A 62 2.538 -4.202 5.202 1.00 0.00 C ATOM 895 C LYS A 62 1.142 -3.748 4.788 1.00 0.00 C ATOM 896 O LYS A 62 0.186 -3.870 5.554 1.00 0.00 O ATOM 897 CB LYS A 62 3.153 -3.182 6.164 1.00 0.00 C ATOM 898 CG LYS A 62 3.985 -3.812 7.267 1.00 0.00 C ATOM 899 CD LYS A 62 3.118 -4.262 8.431 1.00 0.00 C ATOM 900 CE LYS A 62 3.727 -3.863 9.767 1.00 0.00 C ATOM 901 NZ LYS A 62 2.958 -2.770 10.423 1.00 0.00 N ATOM 0 H LYS A 62 4.133 -3.677 3.946 1.00 0.00 H new ATOM 0 HA LYS A 62 2.453 -5.164 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.778 -2.492 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.355 -2.592 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.533 -4.666 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.726 -3.095 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.125 -3.823 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.993 -5.344 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.758 -4.731 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.757 -3.541 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.405 -2.527 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.950 -1.933 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.981 -3.085 10.592 1.00 0.00 H new ATOM 915 N CYS A 63 1.031 -3.227 3.570 1.00 0.00 N ATOM 916 CA CYS A 63 -0.248 -2.757 3.053 1.00 0.00 C ATOM 917 C CYS A 63 -0.838 -3.760 2.066 1.00 0.00 C ATOM 918 O CYS A 63 -2.039 -4.031 2.084 1.00 0.00 O ATOM 919 CB CYS A 63 -0.078 -1.396 2.374 1.00 0.00 C ATOM 920 SG CYS A 63 -0.040 0.012 3.529 1.00 0.00 S ATOM 0 H CYS A 63 1.812 -3.120 2.923 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.935 -2.654 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.846 -1.403 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.895 -1.250 1.667 1.00 0.00 H new ATOM 925 N ILE A 64 0.015 -4.307 1.206 1.00 0.00 N ATOM 926 CA ILE A 64 -0.421 -5.281 0.213 1.00 0.00 C ATOM 927 C ILE A 64 -0.887 -6.572 0.877 1.00 0.00 C ATOM 928 O ILE A 64 -1.929 -7.125 0.522 1.00 0.00 O ATOM 929 CB ILE A 64 0.704 -5.607 -0.787 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.176 -4.334 -1.491 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.228 -6.635 -1.802 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.552 -4.458 -2.105 1.00 0.00 C ATOM 0 H ILE A 64 1.012 -4.092 1.177 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.255 -4.831 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 64 1.546 -6.029 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.461 -4.074 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.179 -3.512 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.034 -6.855 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.063 -7.549 -1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.628 -6.238 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.821 -3.518 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.279 -4.688 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.549 -5.258 -2.846 1.00 0.00 H new ATOM 944 N LEU A 65 -0.110 -7.047 1.844 1.00 0.00 N ATOM 945 CA LEU A 65 -0.443 -8.274 2.560 1.00 0.00 C ATOM 946 C LEU A 65 -1.767 -8.128 3.304 1.00 0.00 C ATOM 947 O LEU A 65 -2.383 -9.118 3.695 1.00 0.00 O ATOM 948 CB LEU A 65 0.671 -8.631 3.546 1.00 0.00 C ATOM 949 CG LEU A 65 2.001 -9.065 2.927 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.091 -9.114 3.986 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.855 -10.418 2.245 1.00 0.00 C ATOM 0 H LEU A 65 0.755 -6.601 2.151 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.544 -9.076 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.855 -7.767 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.314 -9.434 4.191 1.00 0.00 H new ATOM 0 HG LEU A 65 2.287 -8.330 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.030 -9.425 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.213 -8.125 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.813 -9.827 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.811 -10.711 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.546 -11.163 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.104 -10.350 1.458 1.00 0.00 H new ATOM 963 N ALA A 66 -2.199 -6.885 3.492 1.00 0.00 N ATOM 964 CA ALA A 66 -3.452 -6.610 4.184 1.00 0.00 C ATOM 965 C ALA A 66 -4.595 -6.413 3.194 1.00 0.00 C ATOM 966 O ALA A 66 -5.690 -6.943 3.383 1.00 0.00 O ATOM 967 CB ALA A 66 -3.305 -5.383 5.073 1.00 0.00 C ATOM 0 H ALA A 66 -1.700 -6.054 3.175 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.691 -7.472 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.248 -5.189 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.522 -5.560 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.039 -4.521 4.462 1.00 0.00 H new ATOM 973 N GLU A 67 -4.333 -5.649 2.138 1.00 0.00 N ATOM 974 CA GLU A 67 -5.341 -5.382 1.120 1.00 0.00 C ATOM 975 C GLU A 67 -5.536 -6.597 0.216 1.00 0.00 C ATOM 976 O GLU A 67 -6.493 -6.662 -0.557 1.00 0.00 O ATOM 977 CB GLU A 67 -4.941 -4.168 0.280 1.00 0.00 C ATOM 978 CG GLU A 67 -5.116 -2.843 1.004 1.00 0.00 C ATOM 979 CD GLU A 67 -6.551 -2.354 0.988 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.466 -3.193 1.123 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.759 -1.132 0.841 1.00 0.00 O ATOM 0 H GLU A 67 -3.431 -5.204 1.966 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.283 -5.171 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.899 -4.273 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.537 -4.156 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.785 -2.951 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.475 -2.093 0.541 1.00 0.00 H new ATOM 988 N CYS A 68 -4.623 -7.556 0.320 1.00 0.00 N ATOM 989 CA CYS A 68 -4.693 -8.768 -0.488 1.00 0.00 C ATOM 990 C CYS A 68 -6.076 -9.405 -0.395 1.00 0.00 C ATOM 991 O CYS A 68 -6.861 -9.083 0.496 1.00 0.00 O ATOM 992 CB CYS A 68 -3.626 -9.768 -0.038 1.00 0.00 C ATOM 993 SG CYS A 68 -4.005 -10.599 1.522 1.00 0.00 S ATOM 0 H CYS A 68 -3.826 -7.518 0.955 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.509 -8.494 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.497 -10.520 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.674 -9.247 0.062 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.351 -10.026 2.489 1.00 0.00 H new ATOM 999 N LYS A 69 -6.368 -10.310 -1.324 1.00 0.00 N ATOM 1000 CA LYS A 69 -7.657 -10.992 -1.348 1.00 0.00 C ATOM 1001 C LYS A 69 -7.743 -12.031 -0.235 1.00 0.00 C ATOM 1002 O LYS A 69 -6.731 -12.596 0.179 1.00 0.00 O ATOM 1003 CB LYS A 69 -7.875 -11.664 -2.706 1.00 0.00 C ATOM 1004 CG LYS A 69 -8.338 -10.706 -3.791 1.00 0.00 C ATOM 1005 CD LYS A 69 -9.852 -10.699 -3.919 1.00 0.00 C ATOM 1006 CE LYS A 69 -10.290 -10.900 -5.362 1.00 0.00 C ATOM 1007 NZ LYS A 69 -10.117 -12.312 -5.802 1.00 0.00 N ATOM 0 H LYS A 69 -5.730 -10.588 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.438 -10.248 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.945 -12.136 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.613 -12.458 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.986 -9.700 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.893 -10.991 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.275 -11.487 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.245 -9.753 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.336 -10.612 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.712 -10.243 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.426 -12.408 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.115 -12.579 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.689 -12.936 -5.198 1.00 0.00 H new ATOM 1021 N GLN A 70 -8.958 -12.280 0.243 1.00 0.00 N ATOM 1022 CA GLN A 70 -9.175 -13.253 1.308 1.00 0.00 C ATOM 1023 C GLN A 70 -9.306 -14.662 0.739 1.00 0.00 C ATOM 1024 O GLN A 70 -9.695 -14.859 -0.412 1.00 0.00 O ATOM 1025 CB GLN A 70 -10.428 -12.894 2.108 1.00 0.00 C ATOM 1026 CG GLN A 70 -11.725 -13.194 1.373 1.00 0.00 C ATOM 1027 CD GLN A 70 -12.735 -12.069 1.489 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -13.092 -11.650 2.590 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -13.202 -11.573 0.349 1.00 0.00 N ATOM 0 H GLN A 70 -9.807 -11.822 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.310 -13.228 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.418 -13.443 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.398 -11.833 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.508 -13.375 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.160 -14.111 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.879 -11.950 -0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.884 -10.815 0.364 1.00 0.00 H new ATOM 1038 N PRO A 71 -8.975 -15.666 1.564 1.00 0.00 N ATOM 1039 CA PRO A 71 -9.048 -17.075 1.165 1.00 0.00 C ATOM 1040 C PRO A 71 -10.485 -17.556 0.997 1.00 0.00 C ATOM 1041 O PRO A 71 -11.440 -16.880 1.379 1.00 0.00 O ATOM 1042 CB PRO A 71 -8.370 -17.808 2.325 1.00 0.00 C ATOM 1043 CG PRO A 71 -8.543 -16.904 3.497 1.00 0.00 C ATOM 1044 CD PRO A 71 -8.504 -15.504 2.950 1.00 0.00 C ATOM 0 HA PRO A 71 -8.575 -17.250 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.831 -18.780 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.315 -17.989 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.488 -17.099 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.751 -17.059 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.149 -14.833 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.498 -15.086 2.986 1.00 0.00 H new ATOM 1052 N PRO A 72 -10.645 -18.753 0.413 1.00 0.00 N ATOM 1053 CA PRO A 72 -11.963 -19.352 0.183 1.00 0.00 C ATOM 1054 C PRO A 72 -12.637 -19.785 1.480 1.00 0.00 C ATOM 1055 O PRO A 72 -12.618 -20.963 1.836 1.00 0.00 O ATOM 1056 CB PRO A 72 -11.652 -20.569 -0.691 1.00 0.00 C ATOM 1057 CG PRO A 72 -10.240 -20.917 -0.367 1.00 0.00 C ATOM 1058 CD PRO A 72 -9.551 -19.614 -0.067 1.00 0.00 C ATOM 0 HA PRO A 72 -12.657 -18.647 -0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.325 -21.398 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.770 -20.337 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.191 -21.591 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.762 -21.428 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.774 -19.735 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.072 -19.199 -0.954 1.00 0.00 H new ATOM 1066 N GLU A 73 -13.232 -18.826 2.182 1.00 0.00 N ATOM 1067 CA GLU A 73 -13.912 -19.110 3.440 1.00 0.00 C ATOM 1068 C GLU A 73 -14.588 -17.857 3.989 1.00 0.00 C ATOM 1069 O GLU A 73 -14.623 -17.638 5.200 1.00 0.00 O ATOM 1070 CB GLU A 73 -12.921 -19.661 4.468 1.00 0.00 C ATOM 1071 CG GLU A 73 -13.517 -20.718 5.382 1.00 0.00 C ATOM 1072 CD GLU A 73 -12.514 -21.252 6.387 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -11.700 -20.454 6.896 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -12.545 -22.470 6.664 1.00 0.00 O ATOM 0 H GLU A 73 -13.257 -17.846 1.901 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.679 -19.860 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.066 -20.087 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.545 -18.838 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.369 -20.295 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.896 -21.543 4.779 1.00 0.00 H new ATOM 1081 N ALA A 74 -15.122 -17.038 3.090 1.00 0.00 N ATOM 1082 CA ALA A 74 -15.798 -15.808 3.483 1.00 0.00 C ATOM 1083 C ALA A 74 -16.832 -15.392 2.442 1.00 0.00 C ATOM 1084 O ALA A 74 -16.567 -15.429 1.240 1.00 0.00 O ATOM 1085 CB ALA A 74 -14.784 -14.694 3.696 1.00 0.00 C ATOM 0 H ALA A 74 -15.100 -17.204 2.084 1.00 0.00 H new ATOM 0 HA ALA A 74 -16.321 -15.994 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.303 -13.781 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.086 -14.983 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.236 -14.519 2.770 1.00 0.00 H new ATOM 1091 N PHE A 75 -18.011 -14.997 2.911 1.00 0.00 N ATOM 1092 CA PHE A 75 -19.086 -14.576 2.019 1.00 0.00 C ATOM 1093 C PHE A 75 -19.469 -13.122 2.279 1.00 0.00 C ATOM 1094 O PHE A 75 -19.276 -12.256 1.426 1.00 0.00 O ATOM 1095 CB PHE A 75 -20.309 -15.478 2.199 1.00 0.00 C ATOM 1096 CG PHE A 75 -20.156 -16.829 1.562 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -20.545 -17.038 0.248 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -19.624 -17.891 2.276 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -20.406 -18.281 -0.341 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -19.482 -19.135 1.691 1.00 0.00 C ATOM 1101 CZ PHE A 75 -19.875 -19.330 0.382 1.00 0.00 C ATOM 0 H PHE A 75 -18.247 -14.960 3.903 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.728 -14.661 0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -20.502 -15.607 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -21.182 -14.982 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -20.961 -16.221 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.317 -17.745 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -20.713 -18.431 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -19.064 -19.954 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.767 -20.302 -0.076 1.00 0.00 H new ATOM 1111 N GLY A 76 -20.015 -12.862 3.463 1.00 0.00 N ATOM 1112 CA GLY A 76 -20.417 -11.513 3.814 1.00 0.00 C ATOM 1113 C GLY A 76 -21.726 -11.111 3.164 1.00 0.00 C ATOM 1114 O GLY A 76 -22.180 -11.754 2.217 1.00 0.00 O ATOM 0 H GLY A 76 -20.186 -13.562 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.514 -11.436 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.636 -10.815 3.513 1.00 0.00 H new ATOM 1118 N PHE A 77 -22.335 -10.045 3.672 1.00 0.00 N ATOM 1119 CA PHE A 77 -23.601 -9.559 3.136 1.00 0.00 C ATOM 1120 C PHE A 77 -23.391 -8.855 1.799 1.00 0.00 C ATOM 1121 O PHE A 77 -22.695 -7.844 1.721 1.00 0.00 O ATOM 1122 CB PHE A 77 -24.267 -8.604 4.129 1.00 0.00 C ATOM 1123 CG PHE A 77 -24.938 -9.304 5.276 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -26.160 -9.933 5.103 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -24.346 -9.333 6.529 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -26.780 -10.578 6.156 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -24.960 -9.977 7.586 1.00 0.00 C ATOM 1128 CZ PHE A 77 -26.179 -10.599 7.400 1.00 0.00 C ATOM 0 H PHE A 77 -21.972 -9.501 4.455 1.00 0.00 H new ATOM 0 HA PHE A 77 -24.253 -10.418 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -23.516 -7.919 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -25.005 -8.000 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -26.634 -9.919 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -23.394 -8.847 6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -27.732 -11.065 6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -24.487 -9.994 8.557 1.00 0.00 H new ATOM 0 HZ PHE A 77 -26.662 -11.101 8.226 1.00 0.00 H new ATOM 1138 N GLU A 78 -23.998 -9.400 0.748 1.00 0.00 N ATOM 1139 CA GLU A 78 -23.876 -8.825 -0.586 1.00 0.00 C ATOM 1140 C GLU A 78 -25.131 -8.041 -0.958 1.00 0.00 C ATOM 1141 O GLU A 78 -25.551 -8.035 -2.114 1.00 0.00 O ATOM 1142 CB GLU A 78 -23.624 -9.925 -1.619 1.00 0.00 C ATOM 1143 CG GLU A 78 -22.545 -9.576 -2.630 1.00 0.00 C ATOM 1144 CD GLU A 78 -21.490 -10.658 -2.755 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -20.937 -11.072 -1.715 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -21.218 -11.091 -3.895 1.00 0.00 O ATOM 0 H GLU A 78 -24.578 -10.238 0.795 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.028 -8.140 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.341 -10.841 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.553 -10.133 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -23.005 -9.409 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.068 -8.641 -2.338 1.00 0.00 H new ATOM 1153 N GLN A 79 -25.724 -7.382 0.032 1.00 0.00 N ATOM 1154 CA GLN A 79 -26.932 -6.596 -0.190 1.00 0.00 C ATOM 1155 C GLN A 79 -26.621 -5.332 -0.986 1.00 0.00 C ATOM 1156 O GLN A 79 -26.975 -5.223 -2.159 1.00 0.00 O ATOM 1157 CB GLN A 79 -27.578 -6.225 1.146 1.00 0.00 C ATOM 1158 CG GLN A 79 -28.358 -7.365 1.782 1.00 0.00 C ATOM 1159 CD GLN A 79 -29.856 -7.222 1.597 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -30.446 -7.847 0.716 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -30.479 -6.397 2.430 1.00 0.00 N ATOM 0 H GLN A 79 -25.388 -7.377 0.995 1.00 0.00 H new ATOM 0 HA GLN A 79 -27.629 -7.204 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -26.801 -5.897 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -28.247 -5.378 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -28.031 -8.310 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -28.130 -7.407 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -29.950 -5.899 3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -31.487 -6.261 2.354 1.00 0.00 H new ATOM 1170 N ALA A 80 -25.958 -4.380 -0.339 1.00 0.00 N ATOM 1171 CA ALA A 80 -25.597 -3.125 -0.986 1.00 0.00 C ATOM 1172 C ALA A 80 -26.817 -2.463 -1.618 1.00 0.00 C ATOM 1173 O ALA A 80 -26.969 -2.454 -2.841 1.00 0.00 O ATOM 1174 CB ALA A 80 -24.521 -3.362 -2.035 1.00 0.00 C ATOM 0 H ALA A 80 -25.660 -4.454 0.634 1.00 0.00 H new ATOM 0 HA ALA A 80 -25.204 -2.452 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -24.261 -2.416 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -23.636 -3.784 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -24.894 -4.056 -2.788 1.00 0.00 H new ATOM 1180 N THR A 81 -27.687 -1.911 -0.778 1.00 0.00 N ATOM 1181 CA THR A 81 -28.895 -1.249 -1.255 1.00 0.00 C ATOM 1182 C THR A 81 -28.716 0.264 -1.288 1.00 0.00 C ATOM 1183 O THR A 81 -27.911 0.819 -0.541 1.00 0.00 O ATOM 1184 CB THR A 81 -30.109 -1.592 -0.371 1.00 0.00 C ATOM 1185 OG1 THR A 81 -30.077 -2.977 -0.010 1.00 0.00 O ATOM 1186 CG2 THR A 81 -31.411 -1.282 -1.095 1.00 0.00 C ATOM 0 H THR A 81 -27.578 -1.909 0.236 1.00 0.00 H new ATOM 0 HA THR A 81 -29.077 -1.612 -2.266 1.00 0.00 H new ATOM 0 HB THR A 81 -30.058 -0.981 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 81 -30.851 -3.186 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 81 -32.254 -1.532 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 81 -31.446 -0.221 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 81 -31.467 -1.870 -2.011 1.00 0.00 H new ATOM 1194 N GLN A 82 -29.472 0.926 -2.158 1.00 0.00 N ATOM 1195 CA GLN A 82 -29.396 2.376 -2.288 1.00 0.00 C ATOM 1196 C GLN A 82 -29.653 3.057 -0.947 1.00 0.00 C ATOM 1197 O GLN A 82 -30.497 2.615 -0.169 1.00 0.00 O ATOM 1198 CB GLN A 82 -30.405 2.870 -3.325 1.00 0.00 C ATOM 1199 CG GLN A 82 -31.853 2.671 -2.908 1.00 0.00 C ATOM 1200 CD GLN A 82 -32.833 3.289 -3.887 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -33.378 2.604 -4.753 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -33.062 4.590 -3.755 1.00 0.00 N ATOM 0 H GLN A 82 -30.144 0.481 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 82 -28.390 2.633 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -30.232 3.930 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -30.232 2.348 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -32.058 1.604 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -32.006 3.108 -1.921 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -32.588 5.119 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -33.712 5.060 -4.386 1.00 0.00 H new ATOM 1211 N GLU A 83 -28.918 4.133 -0.685 1.00 0.00 N ATOM 1212 CA GLU A 83 -29.066 4.873 0.563 1.00 0.00 C ATOM 1213 C GLU A 83 -30.358 5.684 0.564 1.00 0.00 C ATOM 1214 O GLU A 83 -31.006 5.841 -0.471 1.00 0.00 O ATOM 1215 CB GLU A 83 -27.868 5.801 0.777 1.00 0.00 C ATOM 1216 CG GLU A 83 -26.653 5.101 1.363 1.00 0.00 C ATOM 1217 CD GLU A 83 -25.436 6.003 1.428 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -24.732 6.123 0.404 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -25.187 6.588 2.503 1.00 0.00 O ATOM 0 H GLU A 83 -28.215 4.512 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 83 -29.109 4.153 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -27.593 6.251 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -28.163 6.614 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.891 4.746 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -26.418 4.223 0.761 1.00 0.00 H new ATOM 1226 N TYR A 84 -30.726 6.197 1.733 1.00 0.00 N ATOM 1227 CA TYR A 84 -31.942 6.990 1.871 1.00 0.00 C ATOM 1228 C TYR A 84 -31.920 7.802 3.162 1.00 0.00 C ATOM 1229 O TYR A 84 -32.965 8.097 3.741 1.00 0.00 O ATOM 1230 CB TYR A 84 -33.173 6.082 1.848 1.00 0.00 C ATOM 1231 CG TYR A 84 -33.094 4.929 2.823 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -32.524 3.717 2.451 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -33.589 5.051 4.115 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -32.450 2.661 3.339 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -33.518 4.001 5.010 1.00 0.00 C ATOM 1236 CZ TYR A 84 -32.947 2.808 4.617 1.00 0.00 C ATOM 1237 OH TYR A 84 -32.876 1.759 5.504 1.00 0.00 O ATOM 0 H TYR A 84 -30.200 6.078 2.599 1.00 0.00 H new ATOM 0 HA TYR A 84 -31.992 7.681 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -34.058 6.678 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -33.304 5.687 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -32.133 3.599 1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -34.037 5.983 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -32.005 1.725 3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -33.907 4.113 6.011 1.00 0.00 H new ATOM 0 HH TYR A 84 -33.269 2.028 6.360 1.00 0.00 H new ATOM 1247 N SER A 85 -30.720 8.162 3.606 1.00 0.00 N ATOM 1248 CA SER A 85 -30.559 8.938 4.830 1.00 0.00 C ATOM 1249 C SER A 85 -31.330 10.251 4.746 1.00 0.00 C ATOM 1250 O SER A 85 -31.189 11.008 3.784 1.00 0.00 O ATOM 1251 CB SER A 85 -29.077 9.219 5.089 1.00 0.00 C ATOM 1252 OG SER A 85 -28.272 8.128 4.679 1.00 0.00 O ATOM 0 H SER A 85 -29.845 7.929 3.136 1.00 0.00 H new ATOM 0 HA SER A 85 -30.961 8.353 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 85 -28.775 10.119 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 85 -28.920 9.412 6.150 1.00 0.00 H new ATOM 0 HG SER A 85 -27.330 8.333 4.853 1.00 0.00 H new ATOM 1258 N LEU A 86 -32.148 10.515 5.760 1.00 0.00 N ATOM 1259 CA LEU A 86 -32.943 11.737 5.802 1.00 0.00 C ATOM 1260 C LEU A 86 -33.877 11.821 4.600 1.00 0.00 C ATOM 1261 O LEU A 86 -33.508 12.346 3.549 1.00 0.00 O ATOM 1262 CB LEU A 86 -32.029 12.963 5.839 1.00 0.00 C ATOM 1263 CG LEU A 86 -31.865 13.638 7.201 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -33.174 14.272 7.644 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -31.378 12.635 8.238 1.00 0.00 C ATOM 0 H LEU A 86 -32.278 9.900 6.563 1.00 0.00 H new ATOM 0 HA LEU A 86 -33.549 11.716 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -31.043 12.667 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -32.415 13.700 5.135 1.00 0.00 H new ATOM 0 HG LEU A 86 -31.117 14.426 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -33.038 14.747 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -33.481 15.020 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -33.943 13.503 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -31.267 13.133 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -32.102 11.825 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -30.416 12.228 7.927 1.00 0.00 H new ATOM 1277 N SER A 87 -35.090 11.303 4.762 1.00 0.00 N ATOM 1278 CA SER A 87 -36.078 11.317 3.689 1.00 0.00 C ATOM 1279 C SER A 87 -36.945 12.570 3.765 1.00 0.00 C ATOM 1280 O SER A 87 -37.562 12.850 4.792 1.00 0.00 O ATOM 1281 CB SER A 87 -36.959 10.069 3.760 1.00 0.00 C ATOM 1282 OG SER A 87 -36.950 9.367 2.529 1.00 0.00 O ATOM 0 H SER A 87 -35.413 10.868 5.626 1.00 0.00 H new ATOM 0 HA SER A 87 -35.544 11.322 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 87 -36.605 9.415 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 87 -37.980 10.355 4.012 1.00 0.00 H new ATOM 0 HG SER A 87 -37.519 8.573 2.601 1.00 0.00 H new ATOM 1288 N GLY A 88 -36.986 13.322 2.669 1.00 0.00 N ATOM 1289 CA GLY A 88 -37.779 14.537 2.632 1.00 0.00 C ATOM 1290 C GLY A 88 -37.044 15.690 1.979 1.00 0.00 C ATOM 1291 O GLY A 88 -35.886 15.568 1.578 1.00 0.00 O ATOM 0 H GLY A 88 -36.484 13.111 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -38.705 14.346 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -38.057 14.817 3.648 1.00 0.00 H new ATOM 1295 N PRO A 89 -37.723 16.840 1.862 1.00 0.00 N ATOM 1296 CA PRO A 89 -37.147 18.042 1.251 1.00 0.00 C ATOM 1297 C PRO A 89 -36.053 18.662 2.113 1.00 0.00 C ATOM 1298 O PRO A 89 -36.205 18.790 3.328 1.00 0.00 O ATOM 1299 CB PRO A 89 -38.343 18.991 1.139 1.00 0.00 C ATOM 1300 CG PRO A 89 -39.281 18.546 2.207 1.00 0.00 C ATOM 1301 CD PRO A 89 -39.107 17.057 2.317 1.00 0.00 C ATOM 0 HA PRO A 89 -36.668 17.825 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -38.040 20.028 1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -38.806 18.929 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -39.055 19.036 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -40.310 18.801 1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -39.253 16.710 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -39.823 16.522 1.694 1.00 0.00 H new ATOM 1309 N SER A 90 -34.951 19.047 1.477 1.00 0.00 N ATOM 1310 CA SER A 90 -33.830 19.651 2.187 1.00 0.00 C ATOM 1311 C SER A 90 -33.923 21.173 2.154 1.00 0.00 C ATOM 1312 O SER A 90 -34.753 21.740 1.443 1.00 0.00 O ATOM 1313 CB SER A 90 -32.505 19.196 1.572 1.00 0.00 C ATOM 1314 OG SER A 90 -32.639 18.972 0.180 1.00 0.00 O ATOM 0 H SER A 90 -34.811 18.951 0.471 1.00 0.00 H new ATOM 0 HA SER A 90 -33.871 19.324 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 90 -31.740 19.951 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 90 -32.169 18.281 2.060 1.00 0.00 H new ATOM 0 HG SER A 90 -31.778 18.684 -0.189 1.00 0.00 H new ATOM 1320 N SER A 91 -33.065 21.829 2.929 1.00 0.00 N ATOM 1321 CA SER A 91 -33.052 23.286 2.992 1.00 0.00 C ATOM 1322 C SER A 91 -31.622 23.816 3.023 1.00 0.00 C ATOM 1323 O SER A 91 -31.254 24.687 2.236 1.00 0.00 O ATOM 1324 CB SER A 91 -33.814 23.771 4.227 1.00 0.00 C ATOM 1325 OG SER A 91 -33.482 25.114 4.537 1.00 0.00 O ATOM 0 H SER A 91 -32.370 21.375 3.522 1.00 0.00 H new ATOM 0 HA SER A 91 -33.543 23.668 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 91 -34.887 23.690 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 91 -33.581 23.130 5.077 1.00 0.00 H new ATOM 0 HG SER A 91 -33.983 25.400 5.329 1.00 0.00 H new ATOM 1331 N GLY A 92 -30.819 23.281 3.938 1.00 0.00 N ATOM 1332 CA GLY A 92 -29.438 23.712 4.055 1.00 0.00 C ATOM 1333 C GLY A 92 -28.520 22.596 4.513 1.00 0.00 C ATOM 1334 O GLY A 92 -28.551 21.516 3.925 1.00 0.00 O ATOM 0 H GLY A 92 -31.100 22.557 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -29.095 24.088 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -29.378 24.541 4.760 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.299 -0.629 5.988 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.116 0.833 3.107 1.00 0.00 ZN