USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.204 F(o=-1.4,f=-0.2) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -1.18 (180deg=-2.76!) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 82:sc= 0.893 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -157:sc= -2.6! (180deg=-3.86!) USER MOD Single : A 32 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.022) USER MOD Single : A 39 HIS :FLIP no HE2:sc= -0.195 F(o=-0.99,f=-0.19) USER MOD Single : A 42 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.6!) USER MOD Single : A 52 LYS NZ :NH3+ -125:sc= -1.42 (180deg=-5.3!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc=-0.00792 X(o=-0.0079,f=-0.37) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 3:sc= 0.379 USER MOD Single : A 73 SER OG : rot 102:sc= 0.093 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.735 21.049 40.514 1.00 0.00 N ATOM 2 CA GLY A 1 -2.191 20.021 39.647 1.00 0.00 C ATOM 3 C GLY A 1 -3.122 19.674 38.502 1.00 0.00 C ATOM 4 O GLY A 1 -4.077 18.917 38.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.061 21.250 41.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.901 21.915 39.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.634 20.720 40.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.236 20.358 39.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.992 19.124 40.233 1.00 0.00 H new ATOM 8 N SER A 2 -2.846 20.231 37.327 1.00 0.00 N ATOM 9 CA SER A 2 -3.670 19.982 36.151 1.00 0.00 C ATOM 10 C SER A 2 -2.812 19.917 34.891 1.00 0.00 C ATOM 11 O SER A 2 -1.819 20.634 34.765 1.00 0.00 O ATOM 12 CB SER A 2 -4.731 21.074 36.004 1.00 0.00 C ATOM 13 OG SER A 2 -5.597 21.098 37.125 1.00 0.00 O ATOM 0 H SER A 2 -2.058 20.858 37.165 1.00 0.00 H new ATOM 0 HA SER A 2 -4.166 19.020 36.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.246 22.044 35.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.310 20.903 35.097 1.00 0.00 H new ATOM 0 HG SER A 2 -6.265 21.805 37.007 1.00 0.00 H new ATOM 19 N SER A 3 -3.204 19.054 33.959 1.00 0.00 N ATOM 20 CA SER A 3 -2.469 18.892 32.710 1.00 0.00 C ATOM 21 C SER A 3 -3.094 19.732 31.600 1.00 0.00 C ATOM 22 O SER A 3 -4.202 20.246 31.744 1.00 0.00 O ATOM 23 CB SER A 3 -2.443 17.419 32.296 1.00 0.00 C ATOM 24 OG SER A 3 -1.569 16.672 33.125 1.00 0.00 O ATOM 0 H SER A 3 -4.026 18.456 34.045 1.00 0.00 H new ATOM 0 HA SER A 3 -1.447 19.235 32.871 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.449 17.004 32.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.124 17.335 31.257 1.00 0.00 H new ATOM 0 HG SER A 3 -1.571 15.734 32.841 1.00 0.00 H new ATOM 30 N GLY A 4 -2.372 19.867 30.492 1.00 0.00 N ATOM 31 CA GLY A 4 -2.869 20.646 29.373 1.00 0.00 C ATOM 32 C GLY A 4 -1.763 21.371 28.633 1.00 0.00 C ATOM 33 O GLY A 4 -1.873 22.564 28.351 1.00 0.00 O ATOM 0 H GLY A 4 -1.452 19.451 30.349 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.394 19.987 28.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.596 21.373 29.735 1.00 0.00 H new ATOM 37 N SER A 5 -0.692 20.650 28.319 1.00 0.00 N ATOM 38 CA SER A 5 0.443 21.233 27.612 1.00 0.00 C ATOM 39 C SER A 5 0.076 21.553 26.166 1.00 0.00 C ATOM 40 O SER A 5 -0.520 20.732 25.469 1.00 0.00 O ATOM 41 CB SER A 5 1.638 20.278 27.647 1.00 0.00 C ATOM 42 OG SER A 5 2.412 20.474 28.818 1.00 0.00 O ATOM 0 H SER A 5 -0.586 19.661 28.543 1.00 0.00 H new ATOM 0 HA SER A 5 0.714 22.162 28.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.285 19.247 27.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.260 20.435 26.766 1.00 0.00 H new ATOM 0 HG SER A 5 3.169 19.851 28.818 1.00 0.00 H new ATOM 48 N SER A 6 0.436 22.753 25.723 1.00 0.00 N ATOM 49 CA SER A 6 0.141 23.185 24.362 1.00 0.00 C ATOM 50 C SER A 6 0.521 22.104 23.355 1.00 0.00 C ATOM 51 O SER A 6 1.398 21.281 23.612 1.00 0.00 O ATOM 52 CB SER A 6 0.889 24.481 24.043 1.00 0.00 C ATOM 53 OG SER A 6 0.220 25.221 23.036 1.00 0.00 O ATOM 0 H SER A 6 0.932 23.443 26.287 1.00 0.00 H new ATOM 0 HA SER A 6 -0.931 23.365 24.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.977 25.086 24.946 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.902 24.249 23.715 1.00 0.00 H new ATOM 0 HG SER A 6 0.717 26.045 22.851 1.00 0.00 H new ATOM 59 N GLY A 7 -0.147 22.114 22.205 1.00 0.00 N ATOM 60 CA GLY A 7 0.134 21.130 21.176 1.00 0.00 C ATOM 61 C GLY A 7 -1.068 20.854 20.294 1.00 0.00 C ATOM 62 O GLY A 7 -2.187 21.251 20.618 1.00 0.00 O ATOM 0 H GLY A 7 -0.877 22.786 21.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.961 21.481 20.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.458 20.201 21.645 1.00 0.00 H new ATOM 66 N GLU A 8 -0.836 20.173 19.177 1.00 0.00 N ATOM 67 CA GLU A 8 -1.910 19.846 18.245 1.00 0.00 C ATOM 68 C GLU A 8 -1.483 18.736 17.290 1.00 0.00 C ATOM 69 O GLU A 8 -0.353 18.251 17.350 1.00 0.00 O ATOM 70 CB GLU A 8 -2.321 21.088 17.451 1.00 0.00 C ATOM 71 CG GLU A 8 -1.145 21.867 16.887 1.00 0.00 C ATOM 72 CD GLU A 8 -1.442 23.346 16.737 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.583 23.686 16.360 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.535 24.164 16.996 1.00 0.00 O ATOM 0 H GLU A 8 0.085 19.837 18.895 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.764 19.494 18.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.972 20.785 16.631 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.905 21.744 18.096 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.282 21.738 17.540 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.874 21.455 15.915 1.00 0.00 H new ATOM 81 N ASP A 9 -2.394 18.339 16.408 1.00 0.00 N ATOM 82 CA ASP A 9 -2.113 17.287 15.439 1.00 0.00 C ATOM 83 C ASP A 9 -0.925 17.663 14.558 1.00 0.00 C ATOM 84 O ASP A 9 -0.745 18.820 14.178 1.00 0.00 O ATOM 85 CB ASP A 9 -3.344 17.021 14.571 1.00 0.00 C ATOM 86 CG ASP A 9 -3.433 17.965 13.388 1.00 0.00 C ATOM 87 OD1 ASP A 9 -3.691 19.166 13.607 1.00 0.00 O ATOM 88 OD2 ASP A 9 -3.246 17.501 12.244 1.00 0.00 O ATOM 0 H ASP A 9 -3.334 18.730 16.345 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.863 16.379 15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.315 15.993 14.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.243 17.120 15.180 1.00 0.00 H new ATOM 93 N PRO A 10 -0.095 16.664 14.225 1.00 0.00 N ATOM 94 CA PRO A 10 1.090 16.865 13.386 1.00 0.00 C ATOM 95 C PRO A 10 0.728 17.177 11.938 1.00 0.00 C ATOM 96 O PRO A 10 1.604 17.308 11.083 1.00 0.00 O ATOM 97 CB PRO A 10 1.822 15.524 13.477 1.00 0.00 C ATOM 98 CG PRO A 10 0.757 14.532 13.794 1.00 0.00 C ATOM 99 CD PRO A 10 -0.248 15.260 14.643 1.00 0.00 C ATOM 0 HA PRO A 10 1.686 17.714 13.720 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.322 15.282 12.539 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.589 15.543 14.252 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.295 14.151 12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.169 13.674 14.326 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.261 14.897 14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.043 15.133 15.706 1.00 0.00 H new ATOM 107 N PHE A 11 -0.568 17.296 11.669 1.00 0.00 N ATOM 108 CA PHE A 11 -1.046 17.592 10.323 1.00 0.00 C ATOM 109 C PHE A 11 -0.399 16.663 9.300 1.00 0.00 C ATOM 110 O PHE A 11 -0.279 17.007 8.124 1.00 0.00 O ATOM 111 CB PHE A 11 -0.751 19.050 9.964 1.00 0.00 C ATOM 112 CG PHE A 11 -1.094 20.018 11.060 1.00 0.00 C ATOM 113 CD1 PHE A 11 -0.180 20.302 12.062 1.00 0.00 C ATOM 114 CD2 PHE A 11 -2.330 20.645 11.088 1.00 0.00 C ATOM 115 CE1 PHE A 11 -0.494 21.192 13.072 1.00 0.00 C ATOM 116 CE2 PHE A 11 -2.648 21.536 12.095 1.00 0.00 C ATOM 117 CZ PHE A 11 -1.729 21.811 13.088 1.00 0.00 C ATOM 0 H PHE A 11 -1.306 17.192 12.365 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.124 17.431 10.303 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.307 19.149 9.720 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.311 19.316 9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.788 19.823 12.054 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.053 20.435 10.314 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.226 21.403 13.849 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.615 22.017 12.105 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.975 22.508 13.875 1.00 0.00 H new ATOM 127 N GLN A 12 0.017 15.487 9.757 1.00 0.00 N ATOM 128 CA GLN A 12 0.654 14.509 8.882 1.00 0.00 C ATOM 129 C GLN A 12 -0.011 14.494 7.509 1.00 0.00 C ATOM 130 O GLN A 12 -1.182 14.840 7.355 1.00 0.00 O ATOM 131 CB GLN A 12 0.589 13.115 9.507 1.00 0.00 C ATOM 132 CG GLN A 12 1.718 12.835 10.487 1.00 0.00 C ATOM 133 CD GLN A 12 1.383 11.722 11.460 1.00 0.00 C ATOM 134 OE1 GLN A 12 0.228 11.828 12.106 1.00 0.00 O flip ATOM 135 NE2 GLN A 12 2.155 10.778 11.631 1.00 0.00 N flip ATOM 0 H GLN A 12 -0.075 15.188 10.728 1.00 0.00 H new ATOM 0 HA GLN A 12 1.698 14.796 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.365 13.001 10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.614 12.368 8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.618 12.569 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.944 13.744 11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.033 10.737 11.113 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.917 10.037 12.291 1.00 0.00 H new ATOM 144 N PRO A 13 0.754 14.086 6.485 1.00 0.00 N ATOM 145 CA PRO A 13 0.260 14.016 5.107 1.00 0.00 C ATOM 146 C PRO A 13 -0.764 12.903 4.914 1.00 0.00 C ATOM 147 O PRO A 13 -1.028 12.125 5.829 1.00 0.00 O ATOM 148 CB PRO A 13 1.524 13.727 4.292 1.00 0.00 C ATOM 149 CG PRO A 13 2.446 13.054 5.249 1.00 0.00 C ATOM 150 CD PRO A 13 2.159 13.659 6.595 1.00 0.00 C ATOM 0 HA PRO A 13 -0.255 14.930 4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.306 13.088 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.961 14.645 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.278 11.977 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.486 13.211 4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.297 12.935 7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.819 14.500 6.806 1.00 0.00 H new ATOM 158 N GLU A 14 -1.338 12.835 3.716 1.00 0.00 N ATOM 159 CA GLU A 14 -2.334 11.817 3.405 1.00 0.00 C ATOM 160 C GLU A 14 -1.666 10.523 2.949 1.00 0.00 C ATOM 161 O GLU A 14 -2.096 9.898 1.980 1.00 0.00 O ATOM 162 CB GLU A 14 -3.288 12.320 2.319 1.00 0.00 C ATOM 163 CG GLU A 14 -4.287 13.351 2.817 1.00 0.00 C ATOM 164 CD GLU A 14 -5.474 12.722 3.519 1.00 0.00 C ATOM 165 OE1 GLU A 14 -6.410 12.278 2.821 1.00 0.00 O ATOM 166 OE2 GLU A 14 -5.468 12.674 4.767 1.00 0.00 O ATOM 0 H GLU A 14 -1.130 13.472 2.947 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.902 11.613 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.704 12.754 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.831 11.472 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.786 14.036 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.641 13.945 1.974 1.00 0.00 H new ATOM 173 N ILE A 15 -0.612 10.128 3.656 1.00 0.00 N ATOM 174 CA ILE A 15 0.116 8.909 3.325 1.00 0.00 C ATOM 175 C ILE A 15 0.114 7.932 4.496 1.00 0.00 C ATOM 176 O ILE A 15 0.499 8.282 5.612 1.00 0.00 O ATOM 177 CB ILE A 15 1.572 9.213 2.927 1.00 0.00 C ATOM 178 CG1 ILE A 15 1.637 10.483 2.077 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.173 8.035 2.176 1.00 0.00 C ATOM 180 CD1 ILE A 15 1.184 10.278 0.649 1.00 0.00 C ATOM 0 H ILE A 15 -0.243 10.634 4.461 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.397 8.456 2.476 1.00 0.00 H new ATOM 0 HB ILE A 15 2.154 9.375 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.018 11.252 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.661 10.857 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.202 8.265 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.157 7.151 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.591 7.843 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.257 11.220 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.818 9.532 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.150 9.934 0.641 1.00 0.00 H new ATOM 192 N LYS A 16 -0.322 6.705 4.235 1.00 0.00 N ATOM 193 CA LYS A 16 -0.372 5.674 5.265 1.00 0.00 C ATOM 194 C LYS A 16 1.023 5.382 5.811 1.00 0.00 C ATOM 195 O LYS A 16 1.363 5.790 6.921 1.00 0.00 O ATOM 196 CB LYS A 16 -0.990 4.392 4.704 1.00 0.00 C ATOM 197 CG LYS A 16 -1.229 3.321 5.755 1.00 0.00 C ATOM 198 CD LYS A 16 -2.408 3.669 6.647 1.00 0.00 C ATOM 199 CE LYS A 16 -3.099 2.419 7.170 1.00 0.00 C ATOM 200 NZ LYS A 16 -4.073 1.870 6.186 1.00 0.00 N ATOM 0 H LYS A 16 -0.646 6.400 3.317 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.993 6.042 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.938 4.636 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.335 3.991 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.412 2.364 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.333 3.202 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.065 4.274 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.122 4.274 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.351 1.661 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.616 2.652 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.126 0.837 6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.011 2.284 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.762 2.106 5.222 1.00 0.00 H new ATOM 214 N VAL A 17 1.826 4.675 5.022 1.00 0.00 N ATOM 215 CA VAL A 17 3.184 4.331 5.425 1.00 0.00 C ATOM 216 C VAL A 17 3.179 3.312 6.559 1.00 0.00 C ATOM 217 O VAL A 17 3.868 3.484 7.565 1.00 0.00 O ATOM 218 CB VAL A 17 3.969 5.578 5.874 1.00 0.00 C ATOM 219 CG1 VAL A 17 5.451 5.260 5.999 1.00 0.00 C ATOM 220 CG2 VAL A 17 3.742 6.727 4.903 1.00 0.00 C ATOM 0 H VAL A 17 1.559 4.329 4.100 1.00 0.00 H new ATOM 0 HA VAL A 17 3.673 3.897 4.553 1.00 0.00 H new ATOM 0 HB VAL A 17 3.604 5.883 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.989 6.153 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.593 4.469 6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.835 4.930 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.304 7.600 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.079 6.435 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.680 6.970 4.869 1.00 0.00 H new ATOM 230 N ARG A 18 2.398 2.250 6.390 1.00 0.00 N ATOM 231 CA ARG A 18 2.303 1.203 7.400 1.00 0.00 C ATOM 232 C ARG A 18 3.246 0.048 7.075 1.00 0.00 C ATOM 233 O ARG A 18 2.920 -1.117 7.305 1.00 0.00 O ATOM 234 CB ARG A 18 0.866 0.690 7.499 1.00 0.00 C ATOM 235 CG ARG A 18 0.114 1.214 8.711 1.00 0.00 C ATOM 236 CD ARG A 18 0.236 2.726 8.831 1.00 0.00 C ATOM 237 NE ARG A 18 0.245 3.165 10.223 1.00 0.00 N ATOM 238 CZ ARG A 18 -0.099 4.389 10.610 1.00 0.00 C ATOM 239 NH1 ARG A 18 -0.478 5.289 9.713 1.00 0.00 N ATOM 240 NH2 ARG A 18 -0.066 4.713 11.896 1.00 0.00 N ATOM 0 H ARG A 18 1.822 2.092 5.563 1.00 0.00 H new ATOM 0 HA ARG A 18 2.596 1.630 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.325 0.973 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.880 -0.399 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.938 0.937 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.504 0.744 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.152 3.056 8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.594 3.199 8.307 1.00 0.00 H new ATOM 0 HE ARG A 18 0.531 2.496 10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.506 5.043 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.742 6.228 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.224 4.022 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.330 5.653 12.192 1.00 0.00 H new ATOM 254 N CYS A 19 4.416 0.378 6.540 1.00 0.00 N ATOM 255 CA CYS A 19 5.407 -0.630 6.182 1.00 0.00 C ATOM 256 C CYS A 19 5.767 -1.490 7.390 1.00 0.00 C ATOM 257 O CYS A 19 5.215 -1.317 8.477 1.00 0.00 O ATOM 258 CB CYS A 19 6.665 0.036 5.623 1.00 0.00 C ATOM 259 SG CYS A 19 7.555 -0.970 4.393 1.00 0.00 S ATOM 0 H CYS A 19 4.702 1.337 6.344 1.00 0.00 H new ATOM 0 HA CYS A 19 4.974 -1.273 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.388 0.987 5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.340 0.263 6.448 1.00 0.00 H new ATOM 264 N VAL A 20 6.698 -2.418 7.192 1.00 0.00 N ATOM 265 CA VAL A 20 7.135 -3.304 8.264 1.00 0.00 C ATOM 266 C VAL A 20 8.378 -2.758 8.957 1.00 0.00 C ATOM 267 O VAL A 20 8.582 -2.974 10.152 1.00 0.00 O ATOM 268 CB VAL A 20 7.434 -4.720 7.736 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.143 -5.446 7.391 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.357 -4.652 6.528 1.00 0.00 C ATOM 0 H VAL A 20 7.164 -2.576 6.299 1.00 0.00 H new ATOM 0 HA VAL A 20 6.317 -3.358 8.982 1.00 0.00 H new ATOM 0 HB VAL A 20 7.939 -5.283 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.375 -6.444 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.521 -5.526 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.606 -4.889 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.559 -5.661 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.880 -4.072 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.295 -4.174 6.813 1.00 0.00 H new ATOM 280 N CYS A 21 9.208 -2.049 8.199 1.00 0.00 N ATOM 281 CA CYS A 21 10.432 -1.471 8.739 1.00 0.00 C ATOM 282 C CYS A 21 10.134 -0.613 9.965 1.00 0.00 C ATOM 283 O CYS A 21 11.026 -0.314 10.758 1.00 0.00 O ATOM 284 CB CYS A 21 11.137 -0.629 7.673 1.00 0.00 C ATOM 285 SG CYS A 21 10.056 0.585 6.850 1.00 0.00 S ATOM 0 H CYS A 21 9.055 -1.861 7.208 1.00 0.00 H new ATOM 0 HA CYS A 21 11.088 -2.288 9.040 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.972 -0.102 8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.558 -1.294 6.919 1.00 0.00 H new ATOM 290 N GLY A 22 8.873 -0.220 10.113 1.00 0.00 N ATOM 291 CA GLY A 22 8.479 0.599 11.245 1.00 0.00 C ATOM 292 C GLY A 22 8.914 2.043 11.094 1.00 0.00 C ATOM 293 O GLY A 22 9.112 2.745 12.084 1.00 0.00 O ATOM 0 H GLY A 22 8.117 -0.454 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.396 0.559 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.911 0.186 12.156 1.00 0.00 H new ATOM 297 N ASN A 23 9.064 2.488 9.850 1.00 0.00 N ATOM 298 CA ASN A 23 9.481 3.857 9.573 1.00 0.00 C ATOM 299 C ASN A 23 8.351 4.648 8.920 1.00 0.00 C ATOM 300 O ASN A 23 7.889 4.306 7.832 1.00 0.00 O ATOM 301 CB ASN A 23 10.713 3.864 8.666 1.00 0.00 C ATOM 302 CG ASN A 23 12.000 3.645 9.439 1.00 0.00 C ATOM 303 OD1 ASN A 23 13.041 4.386 9.075 1.00 0.00 O flip ATOM 304 ND2 ASN A 23 12.057 2.821 10.351 1.00 0.00 N flip ATOM 0 H ASN A 23 8.903 1.920 9.018 1.00 0.00 H new ATOM 0 HA ASN A 23 9.733 4.332 10.521 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.609 3.085 7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.767 4.816 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.232 2.274 10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.929 2.685 10.862 1.00 0.00 H new ATOM 311 N SER A 24 7.912 5.707 9.593 1.00 0.00 N ATOM 312 CA SER A 24 6.834 6.545 9.080 1.00 0.00 C ATOM 313 C SER A 24 7.367 7.558 8.070 1.00 0.00 C ATOM 314 O SER A 24 6.951 8.717 8.058 1.00 0.00 O ATOM 315 CB SER A 24 6.135 7.273 10.229 1.00 0.00 C ATOM 316 OG SER A 24 5.860 6.389 11.302 1.00 0.00 O ATOM 0 H SER A 24 8.286 6.005 10.494 1.00 0.00 H new ATOM 0 HA SER A 24 6.114 5.900 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.763 8.092 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.205 7.715 9.871 1.00 0.00 H new ATOM 0 HG SER A 24 5.415 6.880 12.024 1.00 0.00 H new ATOM 322 N LEU A 25 8.289 7.111 7.225 1.00 0.00 N ATOM 323 CA LEU A 25 8.880 7.977 6.210 1.00 0.00 C ATOM 324 C LEU A 25 8.521 7.496 4.808 1.00 0.00 C ATOM 325 O LEU A 25 8.144 6.341 4.616 1.00 0.00 O ATOM 326 CB LEU A 25 10.400 8.023 6.373 1.00 0.00 C ATOM 327 CG LEU A 25 11.169 6.817 5.832 1.00 0.00 C ATOM 328 CD1 LEU A 25 11.539 7.031 4.372 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.415 6.561 6.667 1.00 0.00 C ATOM 0 H LEU A 25 8.644 6.155 7.222 1.00 0.00 H new ATOM 0 HA LEU A 25 8.476 8.981 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.772 8.919 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.629 8.129 7.433 1.00 0.00 H new ATOM 0 HG LEU A 25 10.525 5.940 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.086 6.163 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.632 7.165 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.165 7.919 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.950 5.699 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.062 7.437 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.127 6.363 7.699 1.00 0.00 H new ATOM 341 N GLU A 26 8.644 8.390 3.832 1.00 0.00 N ATOM 342 CA GLU A 26 8.334 8.055 2.447 1.00 0.00 C ATOM 343 C GLU A 26 9.583 8.138 1.574 1.00 0.00 C ATOM 344 O GLU A 26 10.352 9.096 1.659 1.00 0.00 O ATOM 345 CB GLU A 26 7.254 8.993 1.901 1.00 0.00 C ATOM 346 CG GLU A 26 6.013 9.064 2.775 1.00 0.00 C ATOM 347 CD GLU A 26 6.197 9.969 3.977 1.00 0.00 C ATOM 348 OE1 GLU A 26 6.721 9.491 5.005 1.00 0.00 O ATOM 349 OE2 GLU A 26 5.817 11.156 3.891 1.00 0.00 O ATOM 0 H GLU A 26 8.956 9.351 3.974 1.00 0.00 H new ATOM 0 HA GLU A 26 7.962 7.031 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.673 9.994 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.967 8.662 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.174 9.423 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.755 8.061 3.116 1.00 0.00 H new ATOM 356 N THR A 27 9.779 7.127 0.734 1.00 0.00 N ATOM 357 CA THR A 27 10.935 7.083 -0.153 1.00 0.00 C ATOM 358 C THR A 27 10.577 7.587 -1.546 1.00 0.00 C ATOM 359 O THR A 27 9.402 7.752 -1.875 1.00 0.00 O ATOM 360 CB THR A 27 11.502 5.655 -0.266 1.00 0.00 C ATOM 361 OG1 THR A 27 10.493 4.763 -0.751 1.00 0.00 O ATOM 362 CG2 THR A 27 12.013 5.168 1.081 1.00 0.00 C ATOM 0 H THR A 27 9.152 6.327 0.649 1.00 0.00 H new ATOM 0 HA THR A 27 11.693 7.734 0.283 1.00 0.00 H new ATOM 0 HB THR A 27 12.336 5.674 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.434 4.835 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.408 4.158 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.803 5.832 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.195 5.165 1.801 1.00 0.00 H new ATOM 370 N ASP A 28 11.597 7.830 -2.362 1.00 0.00 N ATOM 371 CA ASP A 28 11.390 8.314 -3.722 1.00 0.00 C ATOM 372 C ASP A 28 10.320 7.493 -4.434 1.00 0.00 C ATOM 373 O ASP A 28 9.496 8.035 -5.171 1.00 0.00 O ATOM 374 CB ASP A 28 12.700 8.261 -4.510 1.00 0.00 C ATOM 375 CG ASP A 28 12.640 9.074 -5.788 1.00 0.00 C ATOM 376 OD1 ASP A 28 11.569 9.093 -6.430 1.00 0.00 O ATOM 377 OD2 ASP A 28 13.664 9.692 -6.146 1.00 0.00 O ATOM 0 H ASP A 28 12.576 7.700 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 28 11.051 9.348 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.512 8.632 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.933 7.224 -4.753 1.00 0.00 H new ATOM 382 N SER A 29 10.340 6.183 -4.210 1.00 0.00 N ATOM 383 CA SER A 29 9.374 5.286 -4.835 1.00 0.00 C ATOM 384 C SER A 29 8.739 4.365 -3.798 1.00 0.00 C ATOM 385 O SER A 29 9.390 3.951 -2.838 1.00 0.00 O ATOM 386 CB SER A 29 10.050 4.455 -5.927 1.00 0.00 C ATOM 387 OG SER A 29 9.102 3.677 -6.636 1.00 0.00 O ATOM 0 H SER A 29 11.014 5.719 -3.601 1.00 0.00 H new ATOM 0 HA SER A 29 8.589 5.893 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.574 5.115 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.800 3.802 -5.480 1.00 0.00 H new ATOM 0 HG SER A 29 9.559 3.156 -7.329 1.00 0.00 H new ATOM 393 N MET A 30 7.465 4.047 -3.999 1.00 0.00 N ATOM 394 CA MET A 30 6.741 3.174 -3.082 1.00 0.00 C ATOM 395 C MET A 30 5.560 2.509 -3.783 1.00 0.00 C ATOM 396 O MET A 30 5.104 2.975 -4.827 1.00 0.00 O ATOM 397 CB MET A 30 6.249 3.966 -1.870 1.00 0.00 C ATOM 398 CG MET A 30 7.373 4.550 -1.029 1.00 0.00 C ATOM 399 SD MET A 30 6.766 5.529 0.358 1.00 0.00 S ATOM 400 CE MET A 30 6.105 4.244 1.416 1.00 0.00 C ATOM 0 H MET A 30 6.912 4.381 -4.789 1.00 0.00 H new ATOM 0 HA MET A 30 7.426 2.396 -2.744 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.604 4.775 -2.212 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.638 3.315 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.997 3.740 -0.651 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.007 5.174 -1.659 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.357 4.671 2.084 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.644 3.469 0.803 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.911 3.808 2.006 1.00 0.00 H new ATOM 410 N ILE A 31 5.071 1.419 -3.202 1.00 0.00 N ATOM 411 CA ILE A 31 3.943 0.692 -3.771 1.00 0.00 C ATOM 412 C ILE A 31 2.748 0.703 -2.824 1.00 0.00 C ATOM 413 O ILE A 31 2.887 0.435 -1.631 1.00 0.00 O ATOM 414 CB ILE A 31 4.317 -0.767 -4.090 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.784 -1.486 -2.823 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.397 -0.815 -5.161 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.258 -2.901 -3.071 1.00 0.00 C ATOM 0 H ILE A 31 5.438 1.020 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 31 3.675 1.201 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 31 3.432 -1.278 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.593 -0.915 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.965 -1.507 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.651 -1.853 -5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.031 -0.336 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.284 -0.290 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.574 -3.349 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.444 -3.488 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.098 -2.887 -3.766 1.00 0.00 H new ATOM 429 N GLN A 32 1.574 1.012 -3.364 1.00 0.00 N ATOM 430 CA GLN A 32 0.354 1.057 -2.567 1.00 0.00 C ATOM 431 C GLN A 32 -0.376 -0.282 -2.614 1.00 0.00 C ATOM 432 O GLN A 32 -0.833 -0.715 -3.672 1.00 0.00 O ATOM 433 CB GLN A 32 -0.567 2.171 -3.067 1.00 0.00 C ATOM 434 CG GLN A 32 -1.806 2.367 -2.208 1.00 0.00 C ATOM 435 CD GLN A 32 -2.609 3.588 -2.613 1.00 0.00 C ATOM 436 OE1 GLN A 32 -2.887 3.799 -3.793 1.00 0.00 O ATOM 437 NE2 GLN A 32 -2.987 4.400 -1.632 1.00 0.00 N ATOM 0 H GLN A 32 1.442 1.235 -4.350 1.00 0.00 H new ATOM 0 HA GLN A 32 0.633 1.263 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.007 3.106 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.875 1.946 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.437 1.481 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.508 2.462 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.734 4.186 -0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.530 5.237 -1.844 1.00 0.00 H new ATOM 446 N CYS A 33 -0.482 -0.933 -1.461 1.00 0.00 N ATOM 447 CA CYS A 33 -1.156 -2.223 -1.369 1.00 0.00 C ATOM 448 C CYS A 33 -2.439 -2.226 -2.195 1.00 0.00 C ATOM 449 O CYS A 33 -3.310 -1.377 -2.009 1.00 0.00 O ATOM 450 CB CYS A 33 -1.475 -2.553 0.090 1.00 0.00 C ATOM 451 SG CYS A 33 -2.037 -4.264 0.360 1.00 0.00 S ATOM 0 H CYS A 33 -0.109 -0.588 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.486 -2.984 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.586 -2.374 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.245 -1.869 0.446 1.00 0.00 H new ATOM 456 N GLU A 34 -2.547 -3.187 -3.107 1.00 0.00 N ATOM 457 CA GLU A 34 -3.724 -3.300 -3.961 1.00 0.00 C ATOM 458 C GLU A 34 -5.005 -3.162 -3.143 1.00 0.00 C ATOM 459 O GLU A 34 -5.876 -2.355 -3.467 1.00 0.00 O ATOM 460 CB GLU A 34 -3.719 -4.640 -4.699 1.00 0.00 C ATOM 461 CG GLU A 34 -4.869 -4.800 -5.679 1.00 0.00 C ATOM 462 CD GLU A 34 -4.551 -4.233 -7.049 1.00 0.00 C ATOM 463 OE1 GLU A 34 -3.842 -3.208 -7.117 1.00 0.00 O ATOM 464 OE2 GLU A 34 -5.013 -4.815 -8.053 1.00 0.00 O ATOM 0 H GLU A 34 -1.835 -3.898 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.691 -2.491 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.777 -4.745 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.761 -5.448 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.115 -5.858 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.753 -4.303 -5.280 1.00 0.00 H new ATOM 471 N ASP A 35 -5.112 -3.955 -2.084 1.00 0.00 N ATOM 472 CA ASP A 35 -6.285 -3.922 -1.219 1.00 0.00 C ATOM 473 C ASP A 35 -6.828 -2.502 -1.093 1.00 0.00 C ATOM 474 O ASP A 35 -6.085 -1.544 -0.879 1.00 0.00 O ATOM 475 CB ASP A 35 -5.941 -4.474 0.166 1.00 0.00 C ATOM 476 CG ASP A 35 -7.068 -5.297 0.758 1.00 0.00 C ATOM 477 OD1 ASP A 35 -7.766 -5.989 -0.013 1.00 0.00 O ATOM 478 OD2 ASP A 35 -7.251 -5.251 1.992 1.00 0.00 O ATOM 0 H ASP A 35 -4.400 -4.629 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.055 -4.548 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.044 -5.089 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.709 -3.646 0.836 1.00 0.00 H new ATOM 483 N PRO A 36 -8.155 -2.361 -1.231 1.00 0.00 N ATOM 484 CA PRO A 36 -8.827 -1.062 -1.138 1.00 0.00 C ATOM 485 C PRO A 36 -8.816 -0.504 0.282 1.00 0.00 C ATOM 486 O PRO A 36 -8.406 0.634 0.508 1.00 0.00 O ATOM 487 CB PRO A 36 -10.259 -1.371 -1.580 1.00 0.00 C ATOM 488 CG PRO A 36 -10.445 -2.818 -1.279 1.00 0.00 C ATOM 489 CD PRO A 36 -9.101 -3.460 -1.487 1.00 0.00 C ATOM 0 HA PRO A 36 -8.333 -0.303 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.981 -0.758 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.398 -1.166 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.792 -2.962 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.195 -3.260 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.944 -4.293 -0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.996 -3.854 -2.498 1.00 0.00 H new ATOM 497 N ARG A 37 -9.269 -1.313 1.234 1.00 0.00 N ATOM 498 CA ARG A 37 -9.312 -0.900 2.631 1.00 0.00 C ATOM 499 C ARG A 37 -7.904 -0.684 3.178 1.00 0.00 C ATOM 500 O ARG A 37 -7.695 0.119 4.088 1.00 0.00 O ATOM 501 CB ARG A 37 -10.042 -1.947 3.473 1.00 0.00 C ATOM 502 CG ARG A 37 -9.231 -3.211 3.711 1.00 0.00 C ATOM 503 CD ARG A 37 -9.601 -4.304 2.720 1.00 0.00 C ATOM 504 NE ARG A 37 -11.046 -4.491 2.625 1.00 0.00 N ATOM 505 CZ ARG A 37 -11.624 -5.331 1.774 1.00 0.00 C ATOM 506 NH1 ARG A 37 -10.883 -6.058 0.949 1.00 0.00 N ATOM 507 NH2 ARG A 37 -12.945 -5.446 1.747 1.00 0.00 N ATOM 0 H ARG A 37 -9.611 -2.258 1.063 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.854 0.044 2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.305 -1.508 4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.976 -2.213 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.168 -2.985 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.400 -3.567 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.203 -4.052 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.133 -5.241 3.023 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.644 -3.947 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.867 -5.973 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.329 -6.702 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.518 -4.889 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.387 -6.092 1.093 1.00 0.00 H new ATOM 521 N CYS A 38 -6.940 -1.407 2.617 1.00 0.00 N ATOM 522 CA CYS A 38 -5.551 -1.297 3.048 1.00 0.00 C ATOM 523 C CYS A 38 -4.864 -0.116 2.369 1.00 0.00 C ATOM 524 O CYS A 38 -4.556 0.890 3.010 1.00 0.00 O ATOM 525 CB CYS A 38 -4.795 -2.589 2.737 1.00 0.00 C ATOM 526 SG CYS A 38 -3.416 -2.937 3.876 1.00 0.00 S ATOM 0 H CYS A 38 -7.095 -2.076 1.863 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.542 -1.130 4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.496 -3.423 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.407 -2.534 1.720 1.00 0.00 H new ATOM 531 N HIS A 39 -4.625 -0.245 1.068 1.00 0.00 N ATOM 532 CA HIS A 39 -3.975 0.812 0.301 1.00 0.00 C ATOM 533 C HIS A 39 -2.783 1.382 1.065 1.00 0.00 C ATOM 534 O HIS A 39 -2.402 2.536 0.868 1.00 0.00 O ATOM 535 CB HIS A 39 -4.971 1.926 -0.019 1.00 0.00 C ATOM 536 CG HIS A 39 -5.705 1.721 -1.308 1.00 0.00 C ATOM 537 ND1 HIS A 39 -5.368 1.023 -2.418 1.00 0.00 N flip ATOM 538 CD2 HIS A 39 -6.944 2.271 -1.564 1.00 0.00 C flip ATOM 539 CE1 HIS A 39 -6.399 1.161 -3.314 1.00 0.00 C flip ATOM 540 NE2 HIS A 39 -7.338 1.918 -2.775 1.00 0.00 N flip ATOM 0 H HIS A 39 -4.872 -1.071 0.523 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.614 0.380 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.694 2.000 0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.439 2.877 -0.060 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.508 0.493 -2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.504 2.893 -0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.436 0.722 -4.300 1.00 0.00 H new ATOM 549 N VAL A 40 -2.200 0.566 1.937 1.00 0.00 N ATOM 550 CA VAL A 40 -1.052 0.989 2.730 1.00 0.00 C ATOM 551 C VAL A 40 0.190 1.146 1.859 1.00 0.00 C ATOM 552 O VAL A 40 0.342 0.460 0.849 1.00 0.00 O ATOM 553 CB VAL A 40 -0.750 -0.013 3.860 1.00 0.00 C ATOM 554 CG1 VAL A 40 -1.994 -0.265 4.697 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.211 -1.315 3.286 1.00 0.00 C ATOM 0 H VAL A 40 -2.504 -0.392 2.112 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.309 1.953 3.169 1.00 0.00 H new ATOM 0 HB VAL A 40 0.014 0.416 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.761 -0.975 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.332 0.673 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.782 -0.673 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.003 -2.012 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.951 -1.751 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.708 -1.116 2.734 1.00 0.00 H new ATOM 565 N TRP A 41 1.074 2.053 2.258 1.00 0.00 N ATOM 566 CA TRP A 41 2.304 2.300 1.514 1.00 0.00 C ATOM 567 C TRP A 41 3.446 1.445 2.051 1.00 0.00 C ATOM 568 O TRP A 41 3.635 1.336 3.262 1.00 0.00 O ATOM 569 CB TRP A 41 2.681 3.781 1.588 1.00 0.00 C ATOM 570 CG TRP A 41 1.725 4.674 0.857 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.574 5.221 1.350 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.836 5.123 -0.498 1.00 0.00 C ATOM 573 NE1 TRP A 41 -0.036 5.982 0.383 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.719 5.939 -0.760 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.772 4.916 -1.515 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.513 6.545 -1.996 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.567 5.518 -2.741 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.446 6.325 -2.974 1.00 0.00 C ATOM 0 H TRP A 41 0.962 2.629 3.092 1.00 0.00 H new ATOM 0 HA TRP A 41 2.130 2.028 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.725 4.086 2.634 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.681 3.915 1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.199 5.076 2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.910 6.496 0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.640 4.296 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.352 7.166 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.284 5.364 -3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.315 6.782 -3.944 1.00 0.00 H new ATOM 589 N GLN A 42 4.204 0.840 1.142 1.00 0.00 N ATOM 590 CA GLN A 42 5.328 -0.007 1.526 1.00 0.00 C ATOM 591 C GLN A 42 6.540 0.262 0.640 1.00 0.00 C ATOM 592 O GLN A 42 6.451 0.198 -0.587 1.00 0.00 O ATOM 593 CB GLN A 42 4.935 -1.482 1.440 1.00 0.00 C ATOM 594 CG GLN A 42 3.584 -1.790 2.065 1.00 0.00 C ATOM 595 CD GLN A 42 3.687 -2.139 3.536 1.00 0.00 C ATOM 596 OE1 GLN A 42 3.001 -1.554 4.375 1.00 0.00 O ATOM 597 NE2 GLN A 42 4.549 -3.097 3.859 1.00 0.00 N ATOM 0 H GLN A 42 4.061 0.920 0.135 1.00 0.00 H new ATOM 0 HA GLN A 42 5.594 0.231 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.919 -1.784 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.699 -2.082 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.928 -0.928 1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.121 -2.620 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.098 -3.556 3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.662 -3.374 4.834 1.00 0.00 H new ATOM 606 N HIS A 43 7.671 0.563 1.269 1.00 0.00 N ATOM 607 CA HIS A 43 8.902 0.841 0.537 1.00 0.00 C ATOM 608 C HIS A 43 9.223 -0.290 -0.436 1.00 0.00 C ATOM 609 O HIS A 43 9.075 -1.467 -0.107 1.00 0.00 O ATOM 610 CB HIS A 43 10.065 1.038 1.509 1.00 0.00 C ATOM 611 CG HIS A 43 9.865 2.179 2.459 1.00 0.00 C ATOM 612 ND1 HIS A 43 9.716 2.008 3.819 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.791 3.512 2.239 1.00 0.00 C ATOM 614 CE1 HIS A 43 9.557 3.187 4.394 1.00 0.00 C ATOM 615 NE2 HIS A 43 9.599 4.116 3.457 1.00 0.00 N ATOM 0 H HIS A 43 7.761 0.621 2.283 1.00 0.00 H new ATOM 0 HA HIS A 43 8.756 1.758 -0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.209 0.121 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.979 1.206 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.869 4.009 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.417 3.361 5.451 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.504 5.120 3.613 1.00 0.00 H new ATOM 623 N VAL A 44 9.663 0.076 -1.636 1.00 0.00 N ATOM 624 CA VAL A 44 10.005 -0.908 -2.657 1.00 0.00 C ATOM 625 C VAL A 44 11.157 -1.795 -2.201 1.00 0.00 C ATOM 626 O VAL A 44 11.131 -3.011 -2.389 1.00 0.00 O ATOM 627 CB VAL A 44 10.389 -0.228 -3.985 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.758 -1.269 -5.030 1.00 0.00 C ATOM 629 CG2 VAL A 44 9.255 0.657 -4.478 1.00 0.00 C ATOM 0 H VAL A 44 9.791 1.046 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 44 9.118 -1.522 -2.815 1.00 0.00 H new ATOM 0 HB VAL A 44 11.261 0.403 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.026 -0.770 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.605 -1.856 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.907 -1.928 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.544 1.129 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.363 0.051 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.044 1.426 -3.735 1.00 0.00 H new ATOM 639 N GLY A 45 12.170 -1.179 -1.598 1.00 0.00 N ATOM 640 CA GLY A 45 13.318 -1.928 -1.123 1.00 0.00 C ATOM 641 C GLY A 45 13.072 -2.573 0.226 1.00 0.00 C ATOM 642 O GLY A 45 14.006 -2.790 0.999 1.00 0.00 O ATOM 0 H GLY A 45 12.215 -0.174 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.571 -2.699 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.178 -1.262 -1.052 1.00 0.00 H new ATOM 646 N CYS A 46 11.811 -2.879 0.513 1.00 0.00 N ATOM 647 CA CYS A 46 11.443 -3.500 1.780 1.00 0.00 C ATOM 648 C CYS A 46 10.723 -4.825 1.546 1.00 0.00 C ATOM 649 O CYS A 46 10.968 -5.809 2.244 1.00 0.00 O ATOM 650 CB CYS A 46 10.553 -2.559 2.594 1.00 0.00 C ATOM 651 SG CYS A 46 11.469 -1.450 3.711 1.00 0.00 S ATOM 0 H CYS A 46 11.026 -2.707 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 46 12.358 -3.697 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.958 -1.956 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.855 -3.155 3.183 1.00 0.00 H new ATOM 656 N VAL A 47 9.832 -4.842 0.560 1.00 0.00 N ATOM 657 CA VAL A 47 9.077 -6.046 0.233 1.00 0.00 C ATOM 658 C VAL A 47 9.432 -6.556 -1.159 1.00 0.00 C ATOM 659 O VAL A 47 9.385 -7.759 -1.421 1.00 0.00 O ATOM 660 CB VAL A 47 7.559 -5.792 0.303 1.00 0.00 C ATOM 661 CG1 VAL A 47 7.133 -5.495 1.733 1.00 0.00 C ATOM 662 CG2 VAL A 47 7.166 -4.654 -0.627 1.00 0.00 C ATOM 0 H VAL A 47 9.615 -4.036 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 47 9.347 -6.800 0.973 1.00 0.00 H new ATOM 0 HB VAL A 47 7.041 -6.693 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.058 -5.318 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.379 -6.345 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.657 -4.609 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.090 -4.488 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.691 -3.745 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.435 -4.912 -1.651 1.00 0.00 H new ATOM 672 N ILE A 48 9.787 -5.635 -2.049 1.00 0.00 N ATOM 673 CA ILE A 48 10.151 -5.992 -3.414 1.00 0.00 C ATOM 674 C ILE A 48 11.629 -6.357 -3.510 1.00 0.00 C ATOM 675 O ILE A 48 12.481 -5.711 -2.899 1.00 0.00 O ATOM 676 CB ILE A 48 9.853 -4.844 -4.395 1.00 0.00 C ATOM 677 CG1 ILE A 48 8.450 -4.285 -4.149 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.993 -5.324 -5.832 1.00 0.00 C ATOM 679 CD1 ILE A 48 7.353 -5.316 -4.303 1.00 0.00 C ATOM 0 H ILE A 48 9.830 -4.636 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 48 9.546 -6.857 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 48 10.577 -4.046 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.406 -3.866 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.267 -3.465 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.779 -4.500 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.010 -5.679 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.290 -6.137 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.386 -4.849 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.371 -5.717 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.511 -6.125 -3.590 1.00 0.00 H new ATOM 691 N LEU A 49 11.926 -7.396 -4.284 1.00 0.00 N ATOM 692 CA LEU A 49 13.302 -7.847 -4.463 1.00 0.00 C ATOM 693 C LEU A 49 14.132 -6.789 -5.184 1.00 0.00 C ATOM 694 O LEU A 49 13.632 -6.033 -6.017 1.00 0.00 O ATOM 695 CB LEU A 49 13.331 -9.158 -5.251 1.00 0.00 C ATOM 696 CG LEU A 49 12.514 -10.310 -4.666 1.00 0.00 C ATOM 697 CD1 LEU A 49 12.203 -11.342 -5.739 1.00 0.00 C ATOM 698 CD2 LEU A 49 13.255 -10.953 -3.503 1.00 0.00 C ATOM 0 H LEU A 49 11.233 -7.941 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 49 13.735 -8.013 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.971 -8.960 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.368 -9.483 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 49 11.572 -9.909 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.621 -12.155 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.631 -10.873 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.134 -11.739 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.658 -11.771 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.213 -11.340 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.425 -10.209 -2.724 1.00 0.00 H new ATOM 710 N PRO A 50 15.432 -6.734 -4.858 1.00 0.00 N ATOM 711 CA PRO A 50 16.360 -5.775 -5.465 1.00 0.00 C ATOM 712 C PRO A 50 16.640 -6.087 -6.931 1.00 0.00 C ATOM 713 O PRO A 50 17.282 -7.087 -7.252 1.00 0.00 O ATOM 714 CB PRO A 50 17.634 -5.938 -4.632 1.00 0.00 C ATOM 715 CG PRO A 50 17.558 -7.324 -4.091 1.00 0.00 C ATOM 716 CD PRO A 50 16.097 -7.604 -3.874 1.00 0.00 C ATOM 0 HA PRO A 50 15.958 -4.762 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.526 -5.800 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.679 -5.202 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.993 -8.040 -4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.115 -7.410 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.860 -8.655 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 50 15.790 -7.367 -2.856 1.00 0.00 H new ATOM 724 N ASP A 51 16.153 -5.225 -7.818 1.00 0.00 N ATOM 725 CA ASP A 51 16.352 -5.408 -9.251 1.00 0.00 C ATOM 726 C ASP A 51 17.580 -4.640 -9.731 1.00 0.00 C ATOM 727 O ASP A 51 17.462 -3.624 -10.416 1.00 0.00 O ATOM 728 CB ASP A 51 15.114 -4.948 -10.022 1.00 0.00 C ATOM 729 CG ASP A 51 14.434 -3.760 -9.370 1.00 0.00 C ATOM 730 OD1 ASP A 51 15.145 -2.814 -8.971 1.00 0.00 O ATOM 731 OD2 ASP A 51 13.191 -3.776 -9.259 1.00 0.00 O ATOM 0 H ASP A 51 15.618 -4.393 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 51 16.513 -6.470 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.401 -4.685 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.406 -5.774 -10.093 1.00 0.00 H new ATOM 736 N LYS A 52 18.759 -5.133 -9.367 1.00 0.00 N ATOM 737 CA LYS A 52 20.010 -4.495 -9.760 1.00 0.00 C ATOM 738 C LYS A 52 20.209 -4.573 -11.270 1.00 0.00 C ATOM 739 O LYS A 52 20.456 -3.570 -11.940 1.00 0.00 O ATOM 740 CB LYS A 52 21.190 -5.155 -9.044 1.00 0.00 C ATOM 741 CG LYS A 52 22.277 -4.177 -8.633 1.00 0.00 C ATOM 742 CD LYS A 52 21.994 -3.568 -7.270 1.00 0.00 C ATOM 743 CE LYS A 52 20.891 -2.523 -7.345 1.00 0.00 C ATOM 744 NZ LYS A 52 19.543 -3.125 -7.151 1.00 0.00 N ATOM 0 H LYS A 52 18.874 -5.973 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 52 19.960 -3.445 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.823 -5.671 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 52 21.623 -5.913 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.239 -4.689 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 22.355 -3.385 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.705 -4.354 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.903 -3.112 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.061 -1.760 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.930 -2.023 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.933 -2.878 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.631 -4.159 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.122 -2.758 -6.274 1.00 0.00 H new ATOM 758 N PRO A 53 20.099 -5.791 -11.820 1.00 0.00 N ATOM 759 CA PRO A 53 20.261 -6.028 -13.258 1.00 0.00 C ATOM 760 C PRO A 53 19.112 -5.447 -14.075 1.00 0.00 C ATOM 761 O PRO A 53 19.309 -4.983 -15.197 1.00 0.00 O ATOM 762 CB PRO A 53 20.276 -7.555 -13.366 1.00 0.00 C ATOM 763 CG PRO A 53 19.521 -8.027 -12.172 1.00 0.00 C ATOM 764 CD PRO A 53 19.806 -7.031 -11.082 1.00 0.00 C ATOM 0 HA PRO A 53 21.158 -5.550 -13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 53 19.806 -7.891 -14.290 1.00 0.00 H new ATOM 0 HB3 PRO A 53 21.295 -7.942 -13.368 1.00 0.00 H new ATOM 0 HG2 PRO A 53 18.453 -8.081 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 53 19.839 -9.028 -11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 53 18.952 -6.910 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 53 20.650 -7.341 -10.466 1.00 0.00 H new ATOM 772 N MET A 54 17.912 -5.476 -13.503 1.00 0.00 N ATOM 773 CA MET A 54 16.732 -4.950 -14.179 1.00 0.00 C ATOM 774 C MET A 54 16.455 -3.513 -13.750 1.00 0.00 C ATOM 775 O MET A 54 16.097 -3.256 -12.600 1.00 0.00 O ATOM 776 CB MET A 54 15.515 -5.827 -13.882 1.00 0.00 C ATOM 777 CG MET A 54 15.630 -7.236 -14.440 1.00 0.00 C ATOM 778 SD MET A 54 15.470 -7.288 -16.235 1.00 0.00 S ATOM 779 CE MET A 54 14.813 -8.938 -16.469 1.00 0.00 C ATOM 0 H MET A 54 17.732 -5.858 -12.574 1.00 0.00 H new ATOM 0 HA MET A 54 16.924 -4.959 -15.252 1.00 0.00 H new ATOM 0 HB2 MET A 54 15.373 -5.883 -12.803 1.00 0.00 H new ATOM 0 HB3 MET A 54 14.626 -5.352 -14.297 1.00 0.00 H new ATOM 0 HG2 MET A 54 16.593 -7.659 -14.153 1.00 0.00 H new ATOM 0 HG3 MET A 54 14.860 -7.864 -13.992 1.00 0.00 H new ATOM 0 HE1 MET A 54 14.659 -9.121 -17.532 1.00 0.00 H new ATOM 0 HE2 MET A 54 15.517 -9.670 -16.073 1.00 0.00 H new ATOM 0 HE3 MET A 54 13.862 -9.029 -15.944 1.00 0.00 H new ATOM 789 N ASP A 55 16.623 -2.579 -14.680 1.00 0.00 N ATOM 790 CA ASP A 55 16.390 -1.168 -14.397 1.00 0.00 C ATOM 791 C ASP A 55 15.294 -0.607 -15.298 1.00 0.00 C ATOM 792 O ASP A 55 15.519 -0.348 -16.479 1.00 0.00 O ATOM 793 CB ASP A 55 17.680 -0.368 -14.585 1.00 0.00 C ATOM 794 CG ASP A 55 18.879 -1.046 -13.951 1.00 0.00 C ATOM 795 OD1 ASP A 55 18.827 -1.325 -12.735 1.00 0.00 O ATOM 796 OD2 ASP A 55 19.869 -1.296 -14.670 1.00 0.00 O ATOM 0 H ASP A 55 16.920 -2.774 -15.636 1.00 0.00 H new ATOM 0 HA ASP A 55 16.065 -1.080 -13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 55 17.866 -0.229 -15.650 1.00 0.00 H new ATOM 0 HB3 ASP A 55 17.555 0.624 -14.151 1.00 0.00 H new ATOM 801 N GLY A 56 14.105 -0.423 -14.731 1.00 0.00 N ATOM 802 CA GLY A 56 12.991 0.104 -15.498 1.00 0.00 C ATOM 803 C GLY A 56 11.929 -0.942 -15.773 1.00 0.00 C ATOM 804 O GLY A 56 10.783 -0.797 -15.352 1.00 0.00 O ATOM 0 H GLY A 56 13.894 -0.629 -13.755 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.544 0.938 -14.957 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.360 0.500 -16.444 1.00 0.00 H new ATOM 808 N ASN A 57 12.312 -1.999 -16.482 1.00 0.00 N ATOM 809 CA ASN A 57 11.383 -3.073 -16.815 1.00 0.00 C ATOM 810 C ASN A 57 11.996 -4.436 -16.509 1.00 0.00 C ATOM 811 O ASN A 57 13.210 -4.628 -16.575 1.00 0.00 O ATOM 812 CB ASN A 57 10.992 -2.997 -18.292 1.00 0.00 C ATOM 813 CG ASN A 57 12.161 -3.279 -19.215 1.00 0.00 C ATOM 814 OD1 ASN A 57 12.490 -4.435 -19.484 1.00 0.00 O ATOM 815 ND2 ASN A 57 12.796 -2.221 -19.706 1.00 0.00 N ATOM 0 H ASN A 57 13.259 -2.135 -16.837 1.00 0.00 H new ATOM 0 HA ASN A 57 10.490 -2.950 -16.203 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.195 -3.713 -18.491 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.592 -2.006 -18.509 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.591 -2.349 -20.333 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.489 -1.281 -19.456 1.00 0.00 H new ATOM 822 N PRO A 58 11.137 -5.407 -16.165 1.00 0.00 N ATOM 823 CA PRO A 58 9.689 -5.191 -16.082 1.00 0.00 C ATOM 824 C PRO A 58 9.303 -4.299 -14.907 1.00 0.00 C ATOM 825 O PRO A 58 10.024 -4.192 -13.914 1.00 0.00 O ATOM 826 CB PRO A 58 9.130 -6.602 -15.888 1.00 0.00 C ATOM 827 CG PRO A 58 10.245 -7.369 -15.265 1.00 0.00 C ATOM 828 CD PRO A 58 11.512 -6.791 -15.831 1.00 0.00 C ATOM 0 HA PRO A 58 9.302 -4.682 -16.965 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.248 -6.594 -15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.829 -7.043 -16.838 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.224 -7.275 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.164 -8.431 -15.495 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.326 -6.823 -15.107 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.846 -7.340 -16.711 1.00 0.00 H new ATOM 836 N PRO A 59 8.139 -3.642 -15.019 1.00 0.00 N ATOM 837 CA PRO A 59 7.631 -2.748 -13.974 1.00 0.00 C ATOM 838 C PRO A 59 7.196 -3.506 -12.724 1.00 0.00 C ATOM 839 O PRO A 59 7.279 -4.733 -12.670 1.00 0.00 O ATOM 840 CB PRO A 59 6.427 -2.075 -14.638 1.00 0.00 C ATOM 841 CG PRO A 59 5.983 -3.039 -15.683 1.00 0.00 C ATOM 842 CD PRO A 59 7.229 -3.721 -16.174 1.00 0.00 C ATOM 0 HA PRO A 59 8.392 -2.048 -13.631 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.634 -1.881 -13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.702 -1.115 -15.076 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.278 -3.762 -15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.473 -2.524 -16.497 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.035 -4.754 -16.462 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.644 -3.219 -17.048 1.00 0.00 H new ATOM 850 N LEU A 60 6.731 -2.767 -11.723 1.00 0.00 N ATOM 851 CA LEU A 60 6.281 -3.370 -10.472 1.00 0.00 C ATOM 852 C LEU A 60 5.059 -4.253 -10.702 1.00 0.00 C ATOM 853 O LEU A 60 4.317 -4.089 -11.671 1.00 0.00 O ATOM 854 CB LEU A 60 5.953 -2.283 -9.448 1.00 0.00 C ATOM 855 CG LEU A 60 5.177 -1.076 -9.976 1.00 0.00 C ATOM 856 CD1 LEU A 60 4.266 -0.513 -8.895 1.00 0.00 C ATOM 857 CD2 LEU A 60 6.133 -0.005 -10.480 1.00 0.00 C ATOM 0 H LEU A 60 6.655 -1.750 -11.752 1.00 0.00 H new ATOM 0 HA LEU A 60 7.089 -3.992 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.377 -2.735 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.887 -1.927 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 60 4.558 -1.404 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.722 0.345 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.557 -1.279 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.866 -0.201 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.563 0.846 -10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.779 0.320 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.744 -0.412 -11.286 1.00 0.00 H new ATOM 869 N PRO A 61 4.842 -5.213 -9.790 1.00 0.00 N ATOM 870 CA PRO A 61 3.709 -6.139 -9.871 1.00 0.00 C ATOM 871 C PRO A 61 2.375 -5.449 -9.605 1.00 0.00 C ATOM 872 O PRO A 61 2.116 -4.986 -8.495 1.00 0.00 O ATOM 873 CB PRO A 61 4.009 -7.163 -8.773 1.00 0.00 C ATOM 874 CG PRO A 61 4.867 -6.432 -7.799 1.00 0.00 C ATOM 875 CD PRO A 61 5.685 -5.466 -8.611 1.00 0.00 C ATOM 0 HA PRO A 61 3.610 -6.575 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.092 -7.520 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.522 -8.036 -9.175 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.260 -5.906 -7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.509 -7.121 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.889 -4.549 -8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.649 -5.891 -8.890 1.00 0.00 H new ATOM 883 N GLU A 62 1.533 -5.383 -10.632 1.00 0.00 N ATOM 884 CA GLU A 62 0.226 -4.748 -10.507 1.00 0.00 C ATOM 885 C GLU A 62 -0.405 -5.062 -9.154 1.00 0.00 C ATOM 886 O GLU A 62 -0.733 -4.158 -8.386 1.00 0.00 O ATOM 887 CB GLU A 62 -0.700 -5.211 -11.634 1.00 0.00 C ATOM 888 CG GLU A 62 -2.029 -4.477 -11.669 1.00 0.00 C ATOM 889 CD GLU A 62 -3.097 -5.239 -12.431 1.00 0.00 C ATOM 890 OE1 GLU A 62 -2.910 -5.472 -13.643 1.00 0.00 O ATOM 891 OE2 GLU A 62 -4.119 -5.603 -11.813 1.00 0.00 O ATOM 0 H GLU A 62 1.732 -5.761 -11.558 1.00 0.00 H new ATOM 0 HA GLU A 62 0.366 -3.670 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.193 -5.073 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.887 -6.279 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.371 -4.303 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.888 -3.499 -12.129 1.00 0.00 H new ATOM 898 N SER A 63 -0.571 -6.349 -8.869 1.00 0.00 N ATOM 899 CA SER A 63 -1.167 -6.783 -7.611 1.00 0.00 C ATOM 900 C SER A 63 -0.096 -6.975 -6.541 1.00 0.00 C ATOM 901 O SER A 63 0.879 -7.699 -6.745 1.00 0.00 O ATOM 902 CB SER A 63 -1.942 -8.087 -7.812 1.00 0.00 C ATOM 903 OG SER A 63 -2.426 -8.588 -6.578 1.00 0.00 O ATOM 0 H SER A 63 -0.301 -7.110 -9.492 1.00 0.00 H new ATOM 0 HA SER A 63 -1.856 -6.007 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.777 -7.916 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.296 -8.829 -8.281 1.00 0.00 H new ATOM 0 HG SER A 63 -2.919 -9.421 -6.734 1.00 0.00 H new ATOM 909 N PHE A 64 -0.286 -6.322 -5.400 1.00 0.00 N ATOM 910 CA PHE A 64 0.663 -6.419 -4.297 1.00 0.00 C ATOM 911 C PHE A 64 -0.059 -6.391 -2.953 1.00 0.00 C ATOM 912 O PHE A 64 -0.781 -5.442 -2.644 1.00 0.00 O ATOM 913 CB PHE A 64 1.678 -5.276 -4.367 1.00 0.00 C ATOM 914 CG PHE A 64 2.309 -4.952 -3.043 1.00 0.00 C ATOM 915 CD1 PHE A 64 3.209 -5.827 -2.457 1.00 0.00 C ATOM 916 CD2 PHE A 64 2.002 -3.773 -2.384 1.00 0.00 C ATOM 917 CE1 PHE A 64 3.792 -5.532 -1.239 1.00 0.00 C ATOM 918 CE2 PHE A 64 2.581 -3.472 -1.166 1.00 0.00 C ATOM 919 CZ PHE A 64 3.477 -4.353 -0.592 1.00 0.00 C ATOM 0 H PHE A 64 -1.088 -5.720 -5.215 1.00 0.00 H new ATOM 0 HA PHE A 64 1.189 -7.369 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.461 -5.539 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.183 -4.385 -4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.458 -6.751 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.302 -3.081 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.493 -6.222 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.333 -2.549 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.930 -4.120 0.360 1.00 0.00 H new ATOM 929 N TYR A 65 0.140 -7.437 -2.159 1.00 0.00 N ATOM 930 CA TYR A 65 -0.495 -7.534 -0.850 1.00 0.00 C ATOM 931 C TYR A 65 0.549 -7.545 0.262 1.00 0.00 C ATOM 932 O TYR A 65 1.317 -8.498 0.400 1.00 0.00 O ATOM 933 CB TYR A 65 -1.355 -8.797 -0.769 1.00 0.00 C ATOM 934 CG TYR A 65 -2.601 -8.736 -1.624 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.454 -7.640 -1.565 1.00 0.00 C ATOM 936 CD2 TYR A 65 -2.926 -9.774 -2.488 1.00 0.00 C ATOM 937 CE1 TYR A 65 -4.594 -7.580 -2.343 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.063 -9.722 -3.271 1.00 0.00 C ATOM 939 CZ TYR A 65 -4.894 -8.623 -3.195 1.00 0.00 C ATOM 940 OH TYR A 65 -6.029 -8.568 -3.972 1.00 0.00 O ATOM 0 H TYR A 65 0.736 -8.229 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.132 -6.659 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.756 -9.655 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.644 -8.964 0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.222 -6.822 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.279 -10.636 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.247 -6.722 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.300 -10.537 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.093 -9.381 -4.516 1.00 0.00 H new ATOM 950 N CYS A 66 0.571 -6.479 1.055 1.00 0.00 N ATOM 951 CA CYS A 66 1.520 -6.363 2.156 1.00 0.00 C ATOM 952 C CYS A 66 1.477 -7.603 3.043 1.00 0.00 C ATOM 953 O CYS A 66 0.760 -8.560 2.754 1.00 0.00 O ATOM 954 CB CYS A 66 1.217 -5.116 2.988 1.00 0.00 C ATOM 955 SG CYS A 66 -0.369 -5.186 3.883 1.00 0.00 S ATOM 0 H CYS A 66 -0.058 -5.682 0.956 1.00 0.00 H new ATOM 0 HA CYS A 66 2.521 -6.275 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.022 -4.968 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.213 -4.246 2.331 1.00 0.00 H new ATOM 960 N GLU A 67 2.250 -7.578 4.125 1.00 0.00 N ATOM 961 CA GLU A 67 2.300 -8.700 5.054 1.00 0.00 C ATOM 962 C GLU A 67 1.028 -8.768 5.895 1.00 0.00 C ATOM 963 O GLU A 67 0.717 -9.802 6.486 1.00 0.00 O ATOM 964 CB GLU A 67 3.522 -8.581 5.967 1.00 0.00 C ATOM 965 CG GLU A 67 3.422 -7.447 6.973 1.00 0.00 C ATOM 966 CD GLU A 67 2.746 -7.870 8.263 1.00 0.00 C ATOM 967 OE1 GLU A 67 2.193 -8.988 8.304 1.00 0.00 O ATOM 968 OE2 GLU A 67 2.771 -7.081 9.231 1.00 0.00 O ATOM 0 H GLU A 67 2.850 -6.793 4.379 1.00 0.00 H new ATOM 0 HA GLU A 67 2.379 -9.618 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.657 -9.520 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.411 -8.434 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.422 -7.075 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.866 -6.621 6.530 1.00 0.00 H new ATOM 975 N ILE A 68 0.299 -7.658 5.943 1.00 0.00 N ATOM 976 CA ILE A 68 -0.939 -7.592 6.711 1.00 0.00 C ATOM 977 C ILE A 68 -2.110 -8.155 5.914 1.00 0.00 C ATOM 978 O ILE A 68 -3.074 -8.668 6.485 1.00 0.00 O ATOM 979 CB ILE A 68 -1.265 -6.146 7.128 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.043 -5.491 7.776 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.451 -6.124 8.081 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.010 -3.986 7.620 1.00 0.00 C ATOM 0 H ILE A 68 0.543 -6.793 5.460 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.788 -8.195 7.606 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.529 -5.577 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.028 -5.739 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.861 -5.914 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.669 -5.095 8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.322 -6.556 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.213 -6.705 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.883 -3.590 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.007 -3.730 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.896 -3.553 8.084 1.00 0.00 H new ATOM 994 N CYS A 69 -2.021 -8.059 4.592 1.00 0.00 N ATOM 995 CA CYS A 69 -3.072 -8.560 3.715 1.00 0.00 C ATOM 996 C CYS A 69 -2.818 -10.017 3.338 1.00 0.00 C ATOM 997 O CYS A 69 -3.754 -10.777 3.091 1.00 0.00 O ATOM 998 CB CYS A 69 -3.163 -7.703 2.451 1.00 0.00 C ATOM 999 SG CYS A 69 -4.027 -6.117 2.689 1.00 0.00 S ATOM 0 H CYS A 69 -1.230 -7.638 4.104 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.018 -8.502 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.155 -7.504 2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.676 -8.272 1.676 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.545 -10.398 3.297 1.00 0.00 N ATOM 1005 CA ARG A 70 -1.167 -11.762 2.950 1.00 0.00 C ATOM 1006 C ARG A 70 -1.610 -12.742 4.033 1.00 0.00 C ATOM 1007 O ARG A 70 -1.713 -13.945 3.792 1.00 0.00 O ATOM 1008 CB ARG A 70 0.346 -11.859 2.747 1.00 0.00 C ATOM 1009 CG ARG A 70 1.123 -12.048 4.039 1.00 0.00 C ATOM 1010 CD ARG A 70 2.576 -12.405 3.769 1.00 0.00 C ATOM 1011 NE ARG A 70 3.201 -11.479 2.828 1.00 0.00 N ATOM 1012 CZ ARG A 70 4.349 -11.725 2.207 1.00 0.00 C ATOM 1013 NH1 ARG A 70 4.994 -12.863 2.425 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.854 -10.833 1.364 1.00 0.00 N ATOM 0 H ARG A 70 -0.759 -9.781 3.500 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.669 -12.025 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.562 -12.692 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.696 -10.954 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.076 -11.133 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.658 -12.835 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.131 -12.399 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.633 -13.419 3.372 1.00 0.00 H new ATOM 0 HE ARG A 70 2.730 -10.595 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.609 -13.552 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.875 -13.049 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.360 -9.957 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.736 -11.023 0.888 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.868 -12.218 5.226 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.299 -13.046 6.348 1.00 0.00 C ATOM 1030 C LEU A 71 -3.807 -13.274 6.309 1.00 0.00 C ATOM 1031 O LEU A 71 -4.294 -14.343 6.678 1.00 0.00 O ATOM 1032 CB LEU A 71 -1.905 -12.390 7.672 1.00 0.00 C ATOM 1033 CG LEU A 71 -2.943 -11.455 8.293 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -3.920 -12.238 9.156 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -2.261 -10.367 9.110 1.00 0.00 C ATOM 0 H LEU A 71 -1.786 -11.224 5.442 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.802 -14.013 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.678 -13.177 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.985 -11.826 7.516 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.502 -10.980 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.651 -11.555 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.434 -12.979 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.376 -12.742 9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.016 -9.711 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.675 -10.824 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.603 -9.785 8.464 1.00 0.00 H new ATOM 1047 N THR A 72 -4.542 -12.263 5.856 1.00 0.00 N ATOM 1048 CA THR A 72 -5.993 -12.353 5.767 1.00 0.00 C ATOM 1049 C THR A 72 -6.422 -13.088 4.502 1.00 0.00 C ATOM 1050 O THR A 72 -7.388 -12.701 3.845 1.00 0.00 O ATOM 1051 CB THR A 72 -6.645 -10.957 5.781 1.00 0.00 C ATOM 1052 OG1 THR A 72 -6.060 -10.133 4.767 1.00 0.00 O ATOM 1053 CG2 THR A 72 -6.475 -10.295 7.140 1.00 0.00 C ATOM 0 H THR A 72 -4.155 -11.372 5.545 1.00 0.00 H new ATOM 0 HA THR A 72 -6.329 -12.912 6.641 1.00 0.00 H new ATOM 0 HB THR A 72 -7.710 -11.075 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.404 -10.655 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.943 -9.311 7.126 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.947 -10.910 7.906 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.413 -10.189 7.363 1.00 0.00 H new ATOM 1061 N SER A 73 -5.699 -14.152 4.168 1.00 0.00 N ATOM 1062 CA SER A 73 -6.003 -14.940 2.979 1.00 0.00 C ATOM 1063 C SER A 73 -7.060 -15.997 3.284 1.00 0.00 C ATOM 1064 O SER A 73 -6.806 -16.952 4.017 1.00 0.00 O ATOM 1065 CB SER A 73 -4.735 -15.610 2.447 1.00 0.00 C ATOM 1066 OG SER A 73 -3.972 -14.708 1.664 1.00 0.00 O ATOM 0 H SER A 73 -4.899 -14.488 4.704 1.00 0.00 H new ATOM 0 HA SER A 73 -6.396 -14.266 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.133 -15.971 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.004 -16.480 1.847 1.00 0.00 H new ATOM 0 HG SER A 73 -3.218 -14.373 2.193 1.00 0.00 H new ATOM 1072 N GLY A 74 -8.249 -15.818 2.716 1.00 0.00 N ATOM 1073 CA GLY A 74 -9.327 -16.763 2.938 1.00 0.00 C ATOM 1074 C GLY A 74 -8.939 -18.183 2.574 1.00 0.00 C ATOM 1075 O GLY A 74 -7.876 -18.431 2.004 1.00 0.00 O ATOM 0 H GLY A 74 -8.484 -15.035 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.626 -16.729 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.194 -16.465 2.349 1.00 0.00 H new ATOM 1079 N PRO A 75 -9.814 -19.143 2.907 1.00 0.00 N ATOM 1080 CA PRO A 75 -9.578 -20.562 2.621 1.00 0.00 C ATOM 1081 C PRO A 75 -9.653 -20.873 1.130 1.00 0.00 C ATOM 1082 O PRO A 75 -8.868 -21.667 0.612 1.00 0.00 O ATOM 1083 CB PRO A 75 -10.709 -21.268 3.373 1.00 0.00 C ATOM 1084 CG PRO A 75 -11.792 -20.249 3.471 1.00 0.00 C ATOM 1085 CD PRO A 75 -11.100 -18.919 3.587 1.00 0.00 C ATOM 0 HA PRO A 75 -8.581 -20.880 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.047 -22.155 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.384 -21.596 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.436 -20.278 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.426 -20.436 4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.674 -18.125 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.959 -18.629 4.628 1.00 0.00 H new ATOM 1093 N SER A 76 -10.603 -20.244 0.446 1.00 0.00 N ATOM 1094 CA SER A 76 -10.783 -20.456 -0.985 1.00 0.00 C ATOM 1095 C SER A 76 -9.678 -19.767 -1.780 1.00 0.00 C ATOM 1096 O SER A 76 -8.902 -20.418 -2.479 1.00 0.00 O ATOM 1097 CB SER A 76 -12.150 -19.935 -1.432 1.00 0.00 C ATOM 1098 OG SER A 76 -13.171 -20.877 -1.153 1.00 0.00 O ATOM 0 H SER A 76 -11.260 -19.583 0.860 1.00 0.00 H new ATOM 0 HA SER A 76 -10.731 -21.528 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.369 -18.996 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.130 -19.722 -2.501 1.00 0.00 H new ATOM 0 HG SER A 76 -14.035 -20.520 -1.447 1.00 0.00 H new ATOM 1104 N SER A 77 -9.615 -18.444 -1.667 1.00 0.00 N ATOM 1105 CA SER A 77 -8.608 -17.664 -2.378 1.00 0.00 C ATOM 1106 C SER A 77 -7.203 -18.143 -2.028 1.00 0.00 C ATOM 1107 O SER A 77 -6.434 -18.539 -2.903 1.00 0.00 O ATOM 1108 CB SER A 77 -8.752 -16.178 -2.040 1.00 0.00 C ATOM 1109 OG SER A 77 -9.739 -15.564 -2.850 1.00 0.00 O ATOM 0 H SER A 77 -10.249 -17.890 -1.091 1.00 0.00 H new ATOM 0 HA SER A 77 -8.764 -17.803 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.018 -16.065 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.796 -15.675 -2.183 1.00 0.00 H new ATOM 0 HG SER A 77 -9.813 -14.616 -2.613 1.00 0.00 H new ATOM 1115 N GLY A 78 -6.874 -18.103 -0.740 1.00 0.00 N ATOM 1116 CA GLY A 78 -5.562 -18.535 -0.296 1.00 0.00 C ATOM 1117 C GLY A 78 -5.629 -19.727 0.638 1.00 0.00 C ATOM 1118 O GLY A 78 -6.548 -20.536 0.511 1.00 0.00 O ATOM 0 H GLY A 78 -7.493 -17.779 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.954 -18.791 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.063 -17.709 0.210 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 9.764 -0.194 4.676 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.244 -4.595 2.652 1.00 0.00 ZN