USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0133 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 17 ASN : amide:sc= -0.0795 X(o=-0.079,f=-0.084) USER MOD Single : A 23 CYS SG : rot 61:sc= -5.05! USER MOD Single : A 24 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.5) USER MOD Single : A 25 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.1!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 37 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.3!) USER MOD Single : A 39 MET CE :methyl -179:sc= -0.0412 (180deg=-0.045) USER MOD Single : A 41 HIS : no HD1:sc=-0.00995 X(o=-0.0099,f=-0.24) USER MOD Single : A 45 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.44) USER MOD Single : A 46 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.021) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -154:sc= -3.17! (180deg=-4.28!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.5) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0457) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.135 -6.364 21.235 1.00 0.00 N ATOM 2 CA GLY A 1 -4.189 -5.506 20.063 1.00 0.00 C ATOM 3 C GLY A 1 -5.557 -4.833 19.938 1.00 0.00 C ATOM 4 O GLY A 1 -6.561 -5.501 19.693 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.197 -6.809 21.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.306 -5.796 22.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.864 -7.102 21.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.411 -4.746 20.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.986 -6.094 19.168 1.00 0.00 H new ATOM 8 N SER A 2 -5.554 -3.520 20.112 1.00 0.00 N ATOM 9 CA SER A 2 -6.782 -2.750 20.022 1.00 0.00 C ATOM 10 C SER A 2 -6.686 -1.743 18.874 1.00 0.00 C ATOM 11 O SER A 2 -6.284 -0.598 19.080 1.00 0.00 O ATOM 12 CB SER A 2 -7.078 -2.027 21.338 1.00 0.00 C ATOM 13 OG SER A 2 -8.027 -0.978 21.170 1.00 0.00 O ATOM 0 H SER A 2 -4.720 -2.970 20.315 1.00 0.00 H new ATOM 0 HA SER A 2 -7.603 -3.439 19.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.455 -2.743 22.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.152 -1.617 21.742 1.00 0.00 H new ATOM 0 HG SER A 2 -8.190 -0.543 22.033 1.00 0.00 H new ATOM 19 N SER A 3 -7.061 -2.205 17.691 1.00 0.00 N ATOM 20 CA SER A 3 -7.022 -1.359 16.510 1.00 0.00 C ATOM 21 C SER A 3 -7.916 -0.135 16.714 1.00 0.00 C ATOM 22 O SER A 3 -9.140 -0.241 16.669 1.00 0.00 O ATOM 23 CB SER A 3 -7.457 -2.133 15.264 1.00 0.00 C ATOM 24 OG SER A 3 -6.404 -2.939 14.741 1.00 0.00 O ATOM 0 H SER A 3 -7.394 -3.155 17.524 1.00 0.00 H new ATOM 0 HA SER A 3 -5.994 -1.029 16.359 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.310 -2.766 15.510 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.790 -1.431 14.499 1.00 0.00 H new ATOM 0 HG SER A 3 -6.722 -3.418 13.948 1.00 0.00 H new ATOM 30 N GLY A 4 -7.269 1.001 16.932 1.00 0.00 N ATOM 31 CA GLY A 4 -7.990 2.244 17.143 1.00 0.00 C ATOM 32 C GLY A 4 -7.257 3.420 16.494 1.00 0.00 C ATOM 33 O GLY A 4 -7.549 3.787 15.356 1.00 0.00 O ATOM 0 H GLY A 4 -6.253 1.086 16.967 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.994 2.162 16.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.103 2.426 18.212 1.00 0.00 H new ATOM 37 N SER A 5 -6.319 3.978 17.245 1.00 0.00 N ATOM 38 CA SER A 5 -5.542 5.105 16.757 1.00 0.00 C ATOM 39 C SER A 5 -4.456 5.470 17.771 1.00 0.00 C ATOM 40 O SER A 5 -4.724 6.164 18.750 1.00 0.00 O ATOM 41 CB SER A 5 -6.438 6.314 16.481 1.00 0.00 C ATOM 42 OG SER A 5 -5.729 7.369 15.837 1.00 0.00 O ATOM 0 H SER A 5 -6.079 3.671 18.188 1.00 0.00 H new ATOM 0 HA SER A 5 -5.071 4.814 15.818 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.278 6.008 15.857 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.855 6.678 17.420 1.00 0.00 H new ATOM 0 HG SER A 5 -6.336 8.121 15.677 1.00 0.00 H new ATOM 48 N SER A 6 -3.252 4.986 17.500 1.00 0.00 N ATOM 49 CA SER A 6 -2.125 5.253 18.377 1.00 0.00 C ATOM 50 C SER A 6 -1.143 6.206 17.692 1.00 0.00 C ATOM 51 O SER A 6 -0.849 7.280 18.214 1.00 0.00 O ATOM 52 CB SER A 6 -1.416 3.956 18.773 1.00 0.00 C ATOM 53 OG SER A 6 -0.898 4.014 20.099 1.00 0.00 O ATOM 0 H SER A 6 -3.033 4.411 16.686 1.00 0.00 H new ATOM 0 HA SER A 6 -2.503 5.722 19.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.114 3.122 18.693 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.603 3.760 18.074 1.00 0.00 H new ATOM 0 HG SER A 6 -0.455 3.167 20.314 1.00 0.00 H new ATOM 59 N GLY A 7 -0.664 5.778 16.533 1.00 0.00 N ATOM 60 CA GLY A 7 0.278 6.580 15.771 1.00 0.00 C ATOM 61 C GLY A 7 -0.251 6.857 14.363 1.00 0.00 C ATOM 62 O GLY A 7 -1.227 6.246 13.931 1.00 0.00 O ATOM 0 H GLY A 7 -0.911 4.886 16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.459 7.523 16.287 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.235 6.062 15.708 1.00 0.00 H new ATOM 66 N PRO A 8 0.434 7.804 13.667 1.00 0.00 N ATOM 67 CA PRO A 8 0.044 8.169 12.316 1.00 0.00 C ATOM 68 C PRO A 8 0.453 7.087 11.315 1.00 0.00 C ATOM 69 O PRO A 8 1.484 7.205 10.655 1.00 0.00 O ATOM 70 CB PRO A 8 0.722 9.504 12.058 1.00 0.00 C ATOM 71 CG PRO A 8 1.834 9.613 13.088 1.00 0.00 C ATOM 72 CD PRO A 8 1.595 8.548 14.146 1.00 0.00 C ATOM 0 HA PRO A 8 -1.036 8.257 12.200 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.122 9.549 11.045 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.015 10.327 12.159 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.806 9.471 12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.840 10.605 13.540 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.463 7.898 14.257 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.404 8.995 15.122 1.00 0.00 H new ATOM 80 N ASP A 9 -0.376 6.057 11.234 1.00 0.00 N ATOM 81 CA ASP A 9 -0.113 4.954 10.324 1.00 0.00 C ATOM 82 C ASP A 9 -1.437 4.442 9.754 1.00 0.00 C ATOM 83 O ASP A 9 -2.207 3.787 10.454 1.00 0.00 O ATOM 84 CB ASP A 9 0.570 3.793 11.049 1.00 0.00 C ATOM 85 CG ASP A 9 -0.139 3.317 12.319 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.074 4.064 13.319 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.730 2.217 12.261 1.00 0.00 O ATOM 0 H ASP A 9 -1.230 5.962 11.783 1.00 0.00 H new ATOM 0 HA ASP A 9 0.541 5.319 9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.652 2.952 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.585 4.093 11.308 1.00 0.00 H new ATOM 92 N ALA A 10 -1.662 4.761 8.487 1.00 0.00 N ATOM 93 CA ALA A 10 -2.879 4.342 7.815 1.00 0.00 C ATOM 94 C ALA A 10 -3.086 2.841 8.032 1.00 0.00 C ATOM 95 O ALA A 10 -2.274 2.029 7.591 1.00 0.00 O ATOM 96 CB ALA A 10 -2.796 4.710 6.332 1.00 0.00 C ATOM 0 H ALA A 10 -1.021 5.305 7.909 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.744 4.858 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.710 4.395 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.679 5.789 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.941 4.208 5.880 1.00 0.00 H new ATOM 102 N ASP A 11 -4.177 2.519 8.711 1.00 0.00 N ATOM 103 CA ASP A 11 -4.501 1.131 8.993 1.00 0.00 C ATOM 104 C ASP A 11 -4.190 0.279 7.760 1.00 0.00 C ATOM 105 O ASP A 11 -4.267 0.763 6.632 1.00 0.00 O ATOM 106 CB ASP A 11 -5.986 0.967 9.318 1.00 0.00 C ATOM 107 CG ASP A 11 -6.284 0.301 10.663 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.773 0.821 11.679 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.016 -0.711 10.646 1.00 0.00 O ATOM 0 H ASP A 11 -4.848 3.196 9.074 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.907 0.814 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.456 1.950 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.453 0.380 8.527 1.00 0.00 H new ATOM 114 N PRO A 12 -3.835 -1.007 8.024 1.00 0.00 N ATOM 115 CA PRO A 12 -3.513 -1.930 6.950 1.00 0.00 C ATOM 116 C PRO A 12 -4.778 -2.391 6.224 1.00 0.00 C ATOM 117 O PRO A 12 -4.936 -2.151 5.028 1.00 0.00 O ATOM 118 CB PRO A 12 -2.764 -3.070 7.622 1.00 0.00 C ATOM 119 CG PRO A 12 -3.100 -2.973 9.101 1.00 0.00 C ATOM 120 CD PRO A 12 -3.733 -1.614 9.348 1.00 0.00 C ATOM 0 HA PRO A 12 -2.901 -1.473 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.071 -4.033 7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.690 -2.982 7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.784 -3.771 9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.200 -3.090 9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.713 -1.713 9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.121 -1.008 10.016 1.00 0.00 H new ATOM 128 N VAL A 13 -5.649 -3.046 6.979 1.00 0.00 N ATOM 129 CA VAL A 13 -6.896 -3.544 6.423 1.00 0.00 C ATOM 130 C VAL A 13 -7.484 -2.492 5.480 1.00 0.00 C ATOM 131 O VAL A 13 -7.790 -2.789 4.326 1.00 0.00 O ATOM 132 CB VAL A 13 -7.851 -3.937 7.551 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.005 -2.799 8.561 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.211 -4.364 6.994 1.00 0.00 C ATOM 0 H VAL A 13 -5.515 -3.243 7.971 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.720 -4.445 5.836 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.419 -4.791 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.689 -3.105 9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.033 -2.562 8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.403 -1.918 8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.871 -4.638 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.651 -3.538 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.081 -5.220 6.332 1.00 0.00 H new ATOM 144 N GLU A 14 -7.625 -1.284 6.007 1.00 0.00 N ATOM 145 CA GLU A 14 -8.172 -0.187 5.227 1.00 0.00 C ATOM 146 C GLU A 14 -7.472 -0.100 3.870 1.00 0.00 C ATOM 147 O GLU A 14 -8.121 -0.167 2.827 1.00 0.00 O ATOM 148 CB GLU A 14 -8.058 1.136 5.988 1.00 0.00 C ATOM 149 CG GLU A 14 -9.363 1.463 6.717 1.00 0.00 C ATOM 150 CD GLU A 14 -9.623 0.467 7.849 1.00 0.00 C ATOM 151 OE1 GLU A 14 -8.694 0.281 8.665 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.744 -0.085 7.873 1.00 0.00 O ATOM 0 H GLU A 14 -7.370 -1.041 6.964 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.231 -0.381 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.241 1.077 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.814 1.940 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.314 2.474 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.193 1.442 6.011 1.00 0.00 H new ATOM 159 N ILE A 15 -6.157 0.047 3.926 1.00 0.00 N ATOM 160 CA ILE A 15 -5.362 0.143 2.714 1.00 0.00 C ATOM 161 C ILE A 15 -5.744 -0.996 1.767 1.00 0.00 C ATOM 162 O ILE A 15 -5.995 -0.768 0.584 1.00 0.00 O ATOM 163 CB ILE A 15 -3.870 0.187 3.053 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.540 1.407 3.914 1.00 0.00 C ATOM 165 CG2 ILE A 15 -3.017 0.133 1.784 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.247 1.188 4.703 1.00 0.00 C ATOM 0 H ILE A 15 -5.622 0.102 4.792 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.574 1.076 2.193 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.627 -0.698 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.438 2.288 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.362 1.603 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.961 0.166 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.225 -0.791 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.256 0.986 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.035 2.070 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.361 0.321 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.423 1.016 4.011 1.00 0.00 H new ATOM 178 N GLU A 16 -5.776 -2.199 2.322 1.00 0.00 N ATOM 179 CA GLU A 16 -6.123 -3.374 1.542 1.00 0.00 C ATOM 180 C GLU A 16 -7.512 -3.209 0.922 1.00 0.00 C ATOM 181 O GLU A 16 -7.663 -3.271 -0.297 1.00 0.00 O ATOM 182 CB GLU A 16 -6.051 -4.641 2.397 1.00 0.00 C ATOM 183 CG GLU A 16 -4.688 -4.764 3.081 1.00 0.00 C ATOM 184 CD GLU A 16 -4.484 -6.171 3.647 1.00 0.00 C ATOM 185 OE1 GLU A 16 -4.884 -7.127 2.948 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.934 -6.258 4.766 1.00 0.00 O ATOM 0 H GLU A 16 -5.567 -2.385 3.303 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.397 -3.478 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.839 -4.621 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.229 -5.516 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.897 -4.537 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.612 -4.031 3.884 1.00 0.00 H new ATOM 193 N ASN A 17 -8.491 -3.002 1.790 1.00 0.00 N ATOM 194 CA ASN A 17 -9.863 -2.827 1.343 1.00 0.00 C ATOM 195 C ASN A 17 -9.880 -1.937 0.099 1.00 0.00 C ATOM 196 O ASN A 17 -10.629 -2.194 -0.842 1.00 0.00 O ATOM 197 CB ASN A 17 -10.711 -2.148 2.421 1.00 0.00 C ATOM 198 CG ASN A 17 -11.559 -3.173 3.177 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.319 -3.935 2.601 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.389 -3.149 4.495 1.00 0.00 N ATOM 0 H ASN A 17 -8.362 -2.951 2.801 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.275 -3.813 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.062 -1.620 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.359 -1.401 1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.911 -3.794 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.737 -2.486 4.913 1.00 0.00 H new ATOM 207 N ARG A 18 -9.045 -0.909 0.134 1.00 0.00 N ATOM 208 CA ARG A 18 -8.955 0.020 -0.979 1.00 0.00 C ATOM 209 C ARG A 18 -8.591 -0.725 -2.265 1.00 0.00 C ATOM 210 O ARG A 18 -9.296 -0.622 -3.267 1.00 0.00 O ATOM 211 CB ARG A 18 -7.906 1.101 -0.711 1.00 0.00 C ATOM 212 CG ARG A 18 -8.551 2.487 -0.641 1.00 0.00 C ATOM 213 CD ARG A 18 -9.373 2.773 -1.899 1.00 0.00 C ATOM 214 NE ARG A 18 -8.684 3.780 -2.736 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.246 4.398 -3.784 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.509 4.116 -4.129 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.544 5.298 -4.486 1.00 0.00 N ATOM 0 H ARG A 18 -8.425 -0.699 0.916 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.929 0.495 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.391 0.888 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.153 1.086 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.192 2.550 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.778 3.247 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.517 1.853 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.363 3.135 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.721 4.019 -2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.043 3.431 -3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.937 4.586 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.582 5.513 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.971 5.769 -5.284 1.00 0.00 H new ATOM 231 N ILE A 19 -7.491 -1.460 -2.194 1.00 0.00 N ATOM 232 CA ILE A 19 -7.025 -2.223 -3.340 1.00 0.00 C ATOM 233 C ILE A 19 -8.166 -3.098 -3.862 1.00 0.00 C ATOM 234 O ILE A 19 -8.303 -3.290 -5.070 1.00 0.00 O ATOM 235 CB ILE A 19 -5.762 -3.009 -2.982 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.605 -2.065 -2.648 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.395 -3.993 -4.095 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.703 -2.664 -1.567 1.00 0.00 C ATOM 0 H ILE A 19 -6.909 -1.544 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.738 -1.555 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.967 -3.596 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.020 -1.868 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.999 -1.107 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.494 -4.539 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.214 -4.697 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.215 -3.445 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.889 -1.973 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.285 -2.837 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.291 -3.610 -1.920 1.00 0.00 H new ATOM 250 N ILE A 20 -8.957 -3.605 -2.927 1.00 0.00 N ATOM 251 CA ILE A 20 -10.082 -4.455 -3.279 1.00 0.00 C ATOM 252 C ILE A 20 -11.062 -3.663 -4.146 1.00 0.00 C ATOM 253 O ILE A 20 -11.496 -4.141 -5.193 1.00 0.00 O ATOM 254 CB ILE A 20 -10.716 -5.051 -2.021 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.658 -5.705 -1.130 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.842 -6.022 -2.382 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.682 -6.540 -1.961 1.00 0.00 C ATOM 0 H ILE A 20 -8.841 -3.443 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.747 -5.305 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.163 -4.239 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.111 -4.936 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.144 -6.338 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.276 -6.432 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.612 -5.494 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.442 -6.834 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.940 -6.994 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.229 -7.323 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.180 -5.899 -2.686 1.00 0.00 H new ATOM 269 N GLU A 21 -11.383 -2.466 -3.678 1.00 0.00 N ATOM 270 CA GLU A 21 -12.305 -1.603 -4.398 1.00 0.00 C ATOM 271 C GLU A 21 -11.782 -1.329 -5.809 1.00 0.00 C ATOM 272 O GLU A 21 -12.564 -1.194 -6.749 1.00 0.00 O ATOM 273 CB GLU A 21 -12.541 -0.297 -3.637 1.00 0.00 C ATOM 274 CG GLU A 21 -13.390 -0.536 -2.387 1.00 0.00 C ATOM 275 CD GLU A 21 -14.866 -0.709 -2.752 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.452 0.285 -3.233 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.375 -1.831 -2.541 1.00 0.00 O ATOM 0 H GLU A 21 -11.021 -2.073 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.264 -2.115 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.584 0.140 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.039 0.422 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.034 -1.425 -1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.277 0.303 -1.700 1.00 0.00 H new ATOM 284 N LEU A 22 -10.463 -1.254 -5.913 1.00 0.00 N ATOM 285 CA LEU A 22 -9.827 -0.998 -7.194 1.00 0.00 C ATOM 286 C LEU A 22 -9.895 -2.262 -8.054 1.00 0.00 C ATOM 287 O LEU A 22 -10.322 -2.210 -9.207 1.00 0.00 O ATOM 288 CB LEU A 22 -8.406 -0.469 -6.990 1.00 0.00 C ATOM 289 CG LEU A 22 -8.229 1.045 -7.117 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.498 1.616 -5.900 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.529 1.408 -8.429 1.00 0.00 C ATOM 0 H LEU A 22 -9.818 -1.366 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.360 -0.215 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.065 -0.773 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.752 -0.953 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.218 1.503 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.385 2.694 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.073 1.406 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.514 1.155 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.416 2.490 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.546 0.938 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.126 1.055 -9.270 1.00 0.00 H new ATOM 303 N CYS A 23 -9.468 -3.367 -7.461 1.00 0.00 N ATOM 304 CA CYS A 23 -9.475 -4.641 -8.159 1.00 0.00 C ATOM 305 C CYS A 23 -10.864 -4.848 -8.768 1.00 0.00 C ATOM 306 O CYS A 23 -10.998 -5.469 -9.820 1.00 0.00 O ATOM 307 CB CYS A 23 -9.080 -5.794 -7.234 1.00 0.00 C ATOM 308 SG CYS A 23 -7.409 -5.502 -6.548 1.00 0.00 S ATOM 0 H CYS A 23 -9.115 -3.406 -6.505 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.729 -4.627 -8.954 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.804 -5.886 -6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.097 -6.735 -7.784 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.409 -4.400 -5.859 1.00 0.00 H new ATOM 314 N HIS A 24 -11.862 -4.314 -8.079 1.00 0.00 N ATOM 315 CA HIS A 24 -13.235 -4.432 -8.539 1.00 0.00 C ATOM 316 C HIS A 24 -13.471 -3.470 -9.705 1.00 0.00 C ATOM 317 O HIS A 24 -14.055 -3.849 -10.719 1.00 0.00 O ATOM 318 CB HIS A 24 -14.215 -4.215 -7.384 1.00 0.00 C ATOM 319 CG HIS A 24 -14.583 -5.479 -6.645 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.999 -6.631 -7.290 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.594 -5.760 -5.310 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.246 -7.557 -6.375 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.995 -7.015 -5.149 1.00 0.00 N ATOM 0 H HIS A 24 -11.747 -3.799 -7.206 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.413 -5.443 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.778 -3.508 -6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.124 -3.756 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.323 -5.077 -4.519 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.586 -8.564 -6.566 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.098 -7.495 -4.255 1.00 0.00 H new ATOM 331 N GLN A 25 -13.003 -2.244 -9.522 1.00 0.00 N ATOM 332 CA GLN A 25 -13.156 -1.224 -10.546 1.00 0.00 C ATOM 333 C GLN A 25 -12.451 -1.656 -11.834 1.00 0.00 C ATOM 334 O GLN A 25 -12.938 -1.389 -12.932 1.00 0.00 O ATOM 335 CB GLN A 25 -12.627 0.126 -10.059 1.00 0.00 C ATOM 336 CG GLN A 25 -13.768 1.013 -9.558 1.00 0.00 C ATOM 337 CD GLN A 25 -14.852 1.168 -10.627 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.689 0.783 -11.773 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.964 1.753 -10.190 1.00 0.00 N ATOM 0 H GLN A 25 -12.518 -1.934 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.219 -1.106 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.904 -0.030 -9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.100 0.628 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.201 0.580 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.378 1.994 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.035 2.052 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.746 1.903 -10.828 1.00 0.00 H new ATOM 348 N PHE A 26 -11.316 -2.317 -11.657 1.00 0.00 N ATOM 349 CA PHE A 26 -10.540 -2.789 -12.791 1.00 0.00 C ATOM 350 C PHE A 26 -10.437 -4.315 -12.788 1.00 0.00 C ATOM 351 O PHE A 26 -9.687 -4.889 -11.999 1.00 0.00 O ATOM 352 CB PHE A 26 -9.137 -2.194 -12.651 1.00 0.00 C ATOM 353 CG PHE A 26 -9.113 -0.666 -12.589 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.370 -0.029 -11.415 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.833 0.056 -13.707 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.348 1.390 -11.357 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.811 1.475 -13.649 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.068 2.112 -12.476 1.00 0.00 C ATOM 0 H PHE A 26 -10.915 -2.537 -10.745 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.019 -2.486 -13.722 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.673 -2.591 -11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.528 -2.523 -13.493 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.591 -0.602 -10.527 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.627 -0.450 -14.639 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.553 1.896 -10.425 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.590 2.048 -14.537 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.050 3.191 -12.432 1.00 0.00 H new ATOM 368 N PRO A 27 -11.220 -4.946 -13.703 1.00 0.00 N ATOM 369 CA PRO A 27 -11.224 -6.395 -13.813 1.00 0.00 C ATOM 370 C PRO A 27 -9.954 -6.896 -14.504 1.00 0.00 C ATOM 371 O PRO A 27 -9.548 -8.041 -14.310 1.00 0.00 O ATOM 372 CB PRO A 27 -12.491 -6.728 -14.584 1.00 0.00 C ATOM 373 CG PRO A 27 -12.907 -5.441 -15.278 1.00 0.00 C ATOM 374 CD PRO A 27 -12.120 -4.300 -14.653 1.00 0.00 C ATOM 0 HA PRO A 27 -11.223 -6.890 -12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.310 -7.522 -15.309 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.275 -7.081 -13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.707 -5.502 -16.348 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.978 -5.274 -15.163 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.565 -3.742 -15.407 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.780 -3.591 -14.153 1.00 0.00 H new ATOM 382 N HIS A 28 -9.362 -6.013 -15.295 1.00 0.00 N ATOM 383 CA HIS A 28 -8.147 -6.351 -16.016 1.00 0.00 C ATOM 384 C HIS A 28 -6.967 -6.392 -15.043 1.00 0.00 C ATOM 385 O HIS A 28 -6.099 -7.257 -15.149 1.00 0.00 O ATOM 386 CB HIS A 28 -7.921 -5.387 -17.182 1.00 0.00 C ATOM 387 CG HIS A 28 -9.104 -5.259 -18.112 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.302 -6.100 -19.193 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.148 -4.382 -18.109 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.418 -5.735 -19.807 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.941 -4.669 -19.134 1.00 0.00 N ATOM 0 H HIS A 28 -9.701 -5.064 -15.452 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.245 -7.344 -16.455 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.677 -4.402 -16.784 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.056 -5.722 -17.755 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.303 -3.588 -17.394 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.840 -6.200 -20.686 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.799 -4.175 -19.378 1.00 0.00 H new ATOM 399 N GLY A 29 -6.974 -5.445 -14.116 1.00 0.00 N ATOM 400 CA GLY A 29 -5.915 -5.361 -13.124 1.00 0.00 C ATOM 401 C GLY A 29 -5.463 -3.913 -12.926 1.00 0.00 C ATOM 402 O GLY A 29 -5.886 -3.021 -13.660 1.00 0.00 O ATOM 0 H GLY A 29 -7.696 -4.729 -14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.266 -5.769 -12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.068 -5.970 -13.439 1.00 0.00 H new ATOM 406 N ILE A 30 -4.609 -3.724 -11.931 1.00 0.00 N ATOM 407 CA ILE A 30 -4.095 -2.399 -11.627 1.00 0.00 C ATOM 408 C ILE A 30 -2.588 -2.487 -11.378 1.00 0.00 C ATOM 409 O ILE A 30 -2.107 -3.456 -10.792 1.00 0.00 O ATOM 410 CB ILE A 30 -4.874 -1.775 -10.468 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.676 -2.576 -9.179 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.354 -1.619 -10.823 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.340 -1.877 -7.992 1.00 0.00 C ATOM 0 H ILE A 30 -4.260 -4.466 -11.325 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.240 -1.730 -12.475 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.478 -0.775 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.096 -3.575 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.611 -2.700 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.885 -1.173 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.453 -0.975 -11.697 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.780 -2.598 -11.044 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.184 -2.467 -7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.901 -0.888 -7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.409 -1.777 -8.180 1.00 0.00 H new ATOM 425 N THR A 31 -1.884 -1.462 -11.836 1.00 0.00 N ATOM 426 CA THR A 31 -0.441 -1.411 -11.671 1.00 0.00 C ATOM 427 C THR A 31 -0.072 -0.520 -10.483 1.00 0.00 C ATOM 428 O THR A 31 -0.846 0.352 -10.092 1.00 0.00 O ATOM 429 CB THR A 31 0.170 -0.944 -12.993 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.039 0.465 -12.994 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.616 -1.439 -14.209 1.00 0.00 C ATOM 0 H THR A 31 -2.286 -0.660 -12.321 1.00 0.00 H new ATOM 0 HA THR A 31 -0.034 -2.395 -11.438 1.00 0.00 H new ATOM 0 HB THR A 31 1.200 -1.294 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.329 0.850 -13.817 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.140 -1.079 -15.121 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.631 -2.529 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.638 -1.062 -14.160 1.00 0.00 H new ATOM 439 N ASP A 32 1.111 -0.771 -9.942 1.00 0.00 N ATOM 440 CA ASP A 32 1.593 -0.003 -8.806 1.00 0.00 C ATOM 441 C ASP A 32 1.366 1.487 -9.071 1.00 0.00 C ATOM 442 O ASP A 32 0.954 2.224 -8.176 1.00 0.00 O ATOM 443 CB ASP A 32 3.091 -0.222 -8.588 1.00 0.00 C ATOM 444 CG ASP A 32 3.604 0.152 -7.196 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.346 -0.642 -6.265 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.241 1.222 -7.094 1.00 0.00 O ATOM 0 H ASP A 32 1.750 -1.495 -10.269 1.00 0.00 H new ATOM 0 HA ASP A 32 1.049 -0.332 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.320 -1.271 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.639 0.360 -9.329 1.00 0.00 H new ATOM 451 N GLN A 33 1.645 1.886 -10.303 1.00 0.00 N ATOM 452 CA GLN A 33 1.477 3.274 -10.697 1.00 0.00 C ATOM 453 C GLN A 33 0.080 3.768 -10.315 1.00 0.00 C ATOM 454 O GLN A 33 -0.063 4.822 -9.697 1.00 0.00 O ATOM 455 CB GLN A 33 1.732 3.454 -12.194 1.00 0.00 C ATOM 456 CG GLN A 33 2.816 4.505 -12.443 1.00 0.00 C ATOM 457 CD GLN A 33 2.390 5.483 -13.541 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.767 5.363 -14.695 1.00 0.00 O ATOM 459 NE2 GLN A 33 1.586 6.454 -13.118 1.00 0.00 N ATOM 0 H GLN A 33 1.987 1.272 -11.042 1.00 0.00 H new ATOM 0 HA GLN A 33 2.213 3.875 -10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.035 2.503 -12.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.809 3.754 -12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.016 5.052 -11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.745 4.013 -12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.309 6.496 -12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.246 7.157 -13.774 1.00 0.00 H new ATOM 468 N VAL A 34 -0.916 2.984 -10.701 1.00 0.00 N ATOM 469 CA VAL A 34 -2.297 3.329 -10.407 1.00 0.00 C ATOM 470 C VAL A 34 -2.438 3.620 -8.911 1.00 0.00 C ATOM 471 O VAL A 34 -2.604 4.771 -8.512 1.00 0.00 O ATOM 472 CB VAL A 34 -3.228 2.215 -10.890 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.656 2.437 -10.386 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.197 2.097 -12.415 1.00 0.00 C ATOM 0 H VAL A 34 -0.794 2.111 -11.215 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.588 4.233 -10.943 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.868 1.274 -10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.297 1.631 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.660 2.447 -9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.029 3.391 -10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.867 1.298 -12.732 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.519 3.039 -12.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.182 1.870 -12.742 1.00 0.00 H new ATOM 484 N ILE A 35 -2.367 2.556 -8.125 1.00 0.00 N ATOM 485 CA ILE A 35 -2.485 2.683 -6.682 1.00 0.00 C ATOM 486 C ILE A 35 -1.689 3.903 -6.215 1.00 0.00 C ATOM 487 O ILE A 35 -2.043 4.535 -5.221 1.00 0.00 O ATOM 488 CB ILE A 35 -2.074 1.380 -5.994 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.984 0.225 -6.417 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.033 1.551 -4.474 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.164 -0.962 -6.926 1.00 0.00 C ATOM 0 H ILE A 35 -2.229 1.602 -8.460 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.524 2.852 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.064 1.128 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.597 -0.088 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.666 0.562 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.738 0.610 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.311 2.326 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.020 1.840 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.835 -1.769 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.571 -0.652 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.501 -1.312 -6.135 1.00 0.00 H new ATOM 503 N GLN A 36 -0.630 4.197 -6.954 1.00 0.00 N ATOM 504 CA GLN A 36 0.219 5.330 -6.628 1.00 0.00 C ATOM 505 C GLN A 36 -0.563 6.638 -6.771 1.00 0.00 C ATOM 506 O GLN A 36 -0.542 7.478 -5.873 1.00 0.00 O ATOM 507 CB GLN A 36 1.475 5.344 -7.502 1.00 0.00 C ATOM 508 CG GLN A 36 2.694 5.807 -6.702 1.00 0.00 C ATOM 509 CD GLN A 36 3.946 5.840 -7.582 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.887 5.724 -8.795 1.00 0.00 O ATOM 511 NE2 GLN A 36 5.079 6.005 -6.904 1.00 0.00 N ATOM 0 H GLN A 36 -0.340 3.670 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 36 0.539 5.232 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.655 4.346 -7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.322 6.006 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.508 6.799 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.856 5.137 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.057 6.096 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.970 6.041 -7.400 1.00 0.00 H new ATOM 520 N ASN A 37 -1.234 6.768 -7.906 1.00 0.00 N ATOM 521 CA ASN A 37 -2.021 7.958 -8.178 1.00 0.00 C ATOM 522 C ASN A 37 -3.287 7.934 -7.319 1.00 0.00 C ATOM 523 O ASN A 37 -3.889 8.977 -7.066 1.00 0.00 O ATOM 524 CB ASN A 37 -2.447 8.014 -9.646 1.00 0.00 C ATOM 525 CG ASN A 37 -1.944 9.295 -10.314 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.567 10.257 -9.666 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.960 9.254 -11.644 1.00 0.00 N ATOM 0 H ASN A 37 -1.249 6.068 -8.648 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.406 8.828 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.055 7.145 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.534 7.966 -9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.644 10.060 -12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.288 8.416 -12.124 1.00 0.00 H new ATOM 534 N GLU A 38 -3.654 6.734 -6.895 1.00 0.00 N ATOM 535 CA GLU A 38 -4.837 6.560 -6.070 1.00 0.00 C ATOM 536 C GLU A 38 -4.512 6.859 -4.605 1.00 0.00 C ATOM 537 O GLU A 38 -5.299 7.498 -3.908 1.00 0.00 O ATOM 538 CB GLU A 38 -5.414 5.152 -6.228 1.00 0.00 C ATOM 539 CG GLU A 38 -5.737 4.853 -7.693 1.00 0.00 C ATOM 540 CD GLU A 38 -6.774 5.836 -8.238 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.977 5.549 -8.060 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.340 6.854 -8.820 1.00 0.00 O ATOM 0 H GLU A 38 -3.152 5.872 -7.108 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.596 7.267 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.701 4.419 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.317 5.056 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.826 4.912 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.113 3.834 -7.785 1.00 0.00 H new ATOM 549 N MET A 39 -3.350 6.383 -4.181 1.00 0.00 N ATOM 550 CA MET A 39 -2.911 6.590 -2.812 1.00 0.00 C ATOM 551 C MET A 39 -1.402 6.836 -2.752 1.00 0.00 C ATOM 552 O MET A 39 -0.648 5.979 -2.293 1.00 0.00 O ATOM 553 CB MET A 39 -3.263 5.362 -1.971 1.00 0.00 C ATOM 554 CG MET A 39 -4.738 4.989 -2.135 1.00 0.00 C ATOM 555 SD MET A 39 -5.286 4.033 -0.731 1.00 0.00 S ATOM 556 CE MET A 39 -4.579 2.446 -1.141 1.00 0.00 C ATOM 0 H MET A 39 -2.699 5.855 -4.762 1.00 0.00 H new ATOM 0 HA MET A 39 -3.419 7.469 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.636 4.521 -2.269 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.050 5.563 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.342 5.892 -2.229 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.877 4.416 -3.052 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.842 1.721 -0.371 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.968 2.112 -2.103 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.494 2.535 -1.200 1.00 0.00 H new ATOM 566 N PRO A 40 -0.995 8.040 -3.234 1.00 0.00 N ATOM 567 CA PRO A 40 0.410 8.409 -3.239 1.00 0.00 C ATOM 568 C PRO A 40 0.886 8.773 -1.832 1.00 0.00 C ATOM 569 O PRO A 40 2.058 9.091 -1.632 1.00 0.00 O ATOM 570 CB PRO A 40 0.509 9.568 -4.218 1.00 0.00 C ATOM 571 CG PRO A 40 -0.904 10.106 -4.371 1.00 0.00 C ATOM 572 CD PRO A 40 -1.860 9.080 -3.785 1.00 0.00 C ATOM 0 HA PRO A 40 1.059 7.589 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.182 10.339 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.907 9.236 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.007 11.061 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.133 10.284 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.490 9.521 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.526 8.678 -4.548 1.00 0.00 H new ATOM 580 N HIS A 41 -0.046 8.715 -0.892 1.00 0.00 N ATOM 581 CA HIS A 41 0.264 9.034 0.491 1.00 0.00 C ATOM 582 C HIS A 41 0.747 7.775 1.213 1.00 0.00 C ATOM 583 O HIS A 41 1.490 7.861 2.189 1.00 0.00 O ATOM 584 CB HIS A 41 -0.935 9.689 1.179 1.00 0.00 C ATOM 585 CG HIS A 41 -2.152 8.800 1.270 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.138 8.776 0.299 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.531 7.903 2.226 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.064 7.902 0.664 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.686 7.362 1.859 1.00 0.00 N ATOM 0 H HIS A 41 -1.017 8.452 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 41 1.073 9.764 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.643 9.992 2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.201 10.597 0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.984 7.672 3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.961 7.659 0.113 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.206 6.658 2.384 1.00 0.00 H new ATOM 597 N ILE A 42 0.305 6.634 0.704 1.00 0.00 N ATOM 598 CA ILE A 42 0.683 5.358 1.288 1.00 0.00 C ATOM 599 C ILE A 42 2.200 5.187 1.191 1.00 0.00 C ATOM 600 O ILE A 42 2.827 5.689 0.259 1.00 0.00 O ATOM 601 CB ILE A 42 -0.106 4.218 0.642 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.613 4.442 0.790 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.330 2.863 1.202 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.112 3.932 2.143 1.00 0.00 C ATOM 0 H ILE A 42 -0.311 6.567 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 42 0.426 5.333 2.347 1.00 0.00 H new ATOM 0 HB ILE A 42 0.115 4.211 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.838 5.504 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.141 3.929 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.247 2.070 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.391 2.711 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.157 2.841 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.186 4.103 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.907 2.865 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.599 4.464 2.944 1.00 0.00 H new ATOM 616 N GLU A 43 2.747 4.477 2.167 1.00 0.00 N ATOM 617 CA GLU A 43 4.179 4.234 2.204 1.00 0.00 C ATOM 618 C GLU A 43 4.551 3.106 1.240 1.00 0.00 C ATOM 619 O GLU A 43 3.681 2.374 0.770 1.00 0.00 O ATOM 620 CB GLU A 43 4.646 3.916 3.626 1.00 0.00 C ATOM 621 CG GLU A 43 4.587 5.161 4.513 1.00 0.00 C ATOM 622 CD GLU A 43 5.973 5.510 5.061 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.467 4.724 5.897 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.507 6.555 4.630 1.00 0.00 O ATOM 0 H GLU A 43 2.224 4.062 2.938 1.00 0.00 H new ATOM 0 HA GLU A 43 4.690 5.142 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.020 3.132 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.665 3.531 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.196 6.002 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.897 4.991 5.340 1.00 0.00 H new ATOM 631 N ALA A 44 5.845 3.000 0.973 1.00 0.00 N ATOM 632 CA ALA A 44 6.342 1.973 0.074 1.00 0.00 C ATOM 633 C ALA A 44 6.057 0.594 0.673 1.00 0.00 C ATOM 634 O ALA A 44 5.650 -0.324 -0.037 1.00 0.00 O ATOM 635 CB ALA A 44 7.833 2.199 -0.185 1.00 0.00 C ATOM 0 H ALA A 44 6.564 3.609 1.364 1.00 0.00 H new ATOM 0 HA ALA A 44 5.832 2.026 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.206 1.428 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.979 3.180 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.378 2.150 0.758 1.00 0.00 H new ATOM 641 N GLN A 45 6.281 0.492 1.975 1.00 0.00 N ATOM 642 CA GLN A 45 6.053 -0.759 2.678 1.00 0.00 C ATOM 643 C GLN A 45 4.554 -0.989 2.880 1.00 0.00 C ATOM 644 O GLN A 45 4.070 -2.111 2.739 1.00 0.00 O ATOM 645 CB GLN A 45 6.796 -0.779 4.016 1.00 0.00 C ATOM 646 CG GLN A 45 8.169 -1.438 3.870 1.00 0.00 C ATOM 647 CD GLN A 45 9.115 -0.987 4.985 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.224 0.185 5.305 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.790 -1.980 5.557 1.00 0.00 N ATOM 0 H GLN A 45 6.618 1.255 2.561 1.00 0.00 H new ATOM 0 HA GLN A 45 6.447 -1.573 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.915 0.240 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.206 -1.320 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.061 -2.522 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.597 -1.184 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.651 -2.940 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.446 -1.782 6.312 1.00 0.00 H new ATOM 658 N GLN A 46 3.861 0.092 3.207 1.00 0.00 N ATOM 659 CA GLN A 46 2.427 0.022 3.430 1.00 0.00 C ATOM 660 C GLN A 46 1.714 -0.444 2.159 1.00 0.00 C ATOM 661 O GLN A 46 0.799 -1.263 2.221 1.00 0.00 O ATOM 662 CB GLN A 46 1.879 1.370 3.903 1.00 0.00 C ATOM 663 CG GLN A 46 2.464 1.752 5.264 1.00 0.00 C ATOM 664 CD GLN A 46 1.762 0.997 6.395 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.239 -0.007 6.895 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.604 1.536 6.768 1.00 0.00 N ATOM 0 H GLN A 46 4.266 1.021 3.323 1.00 0.00 H new ATOM 0 HA GLN A 46 2.237 -0.707 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.118 2.141 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.792 1.321 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.531 1.529 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.360 2.826 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.262 2.379 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.059 1.106 7.515 1.00 0.00 H new ATOM 675 N ARG A 47 2.161 0.099 1.036 1.00 0.00 N ATOM 676 CA ARG A 47 1.578 -0.251 -0.248 1.00 0.00 C ATOM 677 C ARG A 47 1.800 -1.735 -0.546 1.00 0.00 C ATOM 678 O ARG A 47 0.857 -2.454 -0.873 1.00 0.00 O ATOM 679 CB ARG A 47 2.186 0.585 -1.376 1.00 0.00 C ATOM 680 CG ARG A 47 1.213 1.670 -1.841 1.00 0.00 C ATOM 681 CD ARG A 47 1.536 2.122 -3.267 1.00 0.00 C ATOM 682 NE ARG A 47 2.510 3.235 -3.237 1.00 0.00 N ATOM 683 CZ ARG A 47 3.838 3.070 -3.174 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.359 1.836 -3.134 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.646 4.139 -3.151 1.00 0.00 N ATOM 0 H ARG A 47 2.920 0.779 0.989 1.00 0.00 H new ATOM 0 HA ARG A 47 0.509 -0.044 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.113 1.045 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.443 -0.062 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.192 1.290 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.264 2.523 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.943 1.288 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.624 2.440 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 47 2.148 4.188 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.744 1.022 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.370 1.711 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.250 5.078 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.657 4.013 -3.103 1.00 0.00 H new ATOM 699 N ALA A 48 3.053 -2.149 -0.422 1.00 0.00 N ATOM 700 CA ALA A 48 3.411 -3.535 -0.673 1.00 0.00 C ATOM 701 C ALA A 48 2.675 -4.436 0.320 1.00 0.00 C ATOM 702 O ALA A 48 1.971 -5.362 -0.079 1.00 0.00 O ATOM 703 CB ALA A 48 4.930 -3.693 -0.589 1.00 0.00 C ATOM 0 H ALA A 48 3.832 -1.549 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 48 3.107 -3.834 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.199 -4.732 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.404 -3.055 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.271 -3.404 0.405 1.00 0.00 H new ATOM 709 N VAL A 49 2.863 -4.133 1.596 1.00 0.00 N ATOM 710 CA VAL A 49 2.226 -4.904 2.650 1.00 0.00 C ATOM 711 C VAL A 49 0.793 -5.241 2.235 1.00 0.00 C ATOM 712 O VAL A 49 0.458 -6.408 2.037 1.00 0.00 O ATOM 713 CB VAL A 49 2.301 -4.141 3.975 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.140 -4.525 4.895 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.647 -4.372 4.665 1.00 0.00 C ATOM 0 H VAL A 49 3.447 -3.364 1.924 1.00 0.00 H new ATOM 0 HA VAL A 49 2.750 -5.847 2.803 1.00 0.00 H new ATOM 0 HB VAL A 49 2.216 -3.077 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.217 -3.969 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.195 -4.286 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.180 -5.594 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.674 -3.819 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.775 -5.436 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.452 -4.026 4.017 1.00 0.00 H new ATOM 725 N ALA A 50 -0.015 -4.198 2.114 1.00 0.00 N ATOM 726 CA ALA A 50 -1.405 -4.369 1.726 1.00 0.00 C ATOM 727 C ALA A 50 -1.483 -5.329 0.538 1.00 0.00 C ATOM 728 O ALA A 50 -2.268 -6.276 0.551 1.00 0.00 O ATOM 729 CB ALA A 50 -2.019 -3.003 1.413 1.00 0.00 C ATOM 0 H ALA A 50 0.266 -3.231 2.278 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.981 -4.806 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.062 -3.131 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.964 -2.368 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.469 -2.535 0.596 1.00 0.00 H new ATOM 735 N ILE A 51 -0.659 -5.052 -0.462 1.00 0.00 N ATOM 736 CA ILE A 51 -0.626 -5.880 -1.656 1.00 0.00 C ATOM 737 C ILE A 51 -0.337 -7.329 -1.259 1.00 0.00 C ATOM 738 O ILE A 51 -1.167 -8.211 -1.469 1.00 0.00 O ATOM 739 CB ILE A 51 0.365 -5.312 -2.674 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.187 -4.044 -3.329 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.754 -6.369 -3.709 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.946 -3.155 -3.845 1.00 0.00 C ATOM 0 H ILE A 51 -0.009 -4.266 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.597 -5.873 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 51 1.275 -5.030 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.846 -4.314 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.789 -3.490 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.459 -5.939 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.218 -7.217 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.137 -6.705 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.526 -2.261 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.590 -2.867 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.531 -3.703 -4.584 1.00 0.00 H new ATOM 754 N ASN A 52 0.843 -7.529 -0.691 1.00 0.00 N ATOM 755 CA ASN A 52 1.252 -8.855 -0.262 1.00 0.00 C ATOM 756 C ASN A 52 0.103 -9.516 0.502 1.00 0.00 C ATOM 757 O ASN A 52 -0.373 -10.582 0.114 1.00 0.00 O ATOM 758 CB ASN A 52 2.461 -8.784 0.673 1.00 0.00 C ATOM 759 CG ASN A 52 3.406 -9.964 0.438 1.00 0.00 C ATOM 760 OD1 ASN A 52 2.996 -11.106 0.312 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.692 -9.626 0.386 1.00 0.00 N ATOM 0 H ASN A 52 1.529 -6.794 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 52 1.516 -9.429 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.995 -7.848 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.124 -8.784 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.402 -10.342 0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.968 -8.651 0.499 1.00 0.00 H new ATOM 768 N ARG A 53 -0.309 -8.857 1.575 1.00 0.00 N ATOM 769 CA ARG A 53 -1.393 -9.367 2.396 1.00 0.00 C ATOM 770 C ARG A 53 -2.518 -9.912 1.513 1.00 0.00 C ATOM 771 O ARG A 53 -2.890 -11.079 1.626 1.00 0.00 O ATOM 772 CB ARG A 53 -1.955 -8.274 3.308 1.00 0.00 C ATOM 773 CG ARG A 53 -1.487 -8.470 4.751 1.00 0.00 C ATOM 774 CD ARG A 53 -0.348 -7.508 5.094 1.00 0.00 C ATOM 775 NE ARG A 53 0.957 -8.185 4.921 1.00 0.00 N ATOM 776 CZ ARG A 53 1.448 -9.098 5.770 1.00 0.00 C ATOM 777 NH1 ARG A 53 0.746 -9.448 6.857 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.640 -9.660 5.533 1.00 0.00 N ATOM 0 H ARG A 53 0.089 -7.974 1.895 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.990 -10.169 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.636 -7.296 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.044 -8.288 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.322 -8.308 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.154 -9.498 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.398 -6.628 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.453 -7.159 6.121 1.00 0.00 H new ATOM 0 HE ARG A 53 1.518 -7.941 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.162 -9.019 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.120 -10.143 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.174 -9.393 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.014 -10.355 6.179 1.00 0.00 H new ATOM 792 N LEU A 54 -3.026 -9.042 0.653 1.00 0.00 N ATOM 793 CA LEU A 54 -4.100 -9.421 -0.249 1.00 0.00 C ATOM 794 C LEU A 54 -3.673 -10.649 -1.055 1.00 0.00 C ATOM 795 O LEU A 54 -4.394 -11.644 -1.107 1.00 0.00 O ATOM 796 CB LEU A 54 -4.518 -8.231 -1.115 1.00 0.00 C ATOM 797 CG LEU A 54 -5.084 -7.023 -0.367 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.166 -5.800 -1.282 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.437 -7.355 0.267 1.00 0.00 C ATOM 0 H LEU A 54 -2.714 -8.075 0.562 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.990 -9.703 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.652 -7.904 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.266 -8.573 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.400 -6.773 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.572 -4.955 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.169 -5.550 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.816 -6.022 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.817 -6.479 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.142 -7.645 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.316 -8.177 0.972 1.00 0.00 H new ATOM 811 N LEU A 55 -2.502 -10.539 -1.665 1.00 0.00 N ATOM 812 CA LEU A 55 -1.970 -11.628 -2.467 1.00 0.00 C ATOM 813 C LEU A 55 -2.116 -12.941 -1.696 1.00 0.00 C ATOM 814 O LEU A 55 -2.576 -13.940 -2.246 1.00 0.00 O ATOM 815 CB LEU A 55 -0.534 -11.324 -2.897 1.00 0.00 C ATOM 816 CG LEU A 55 -0.356 -10.142 -3.852 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.123 -9.910 -4.168 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.190 -10.330 -5.120 1.00 0.00 C ATOM 0 H LEU A 55 -1.906 -9.712 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.539 -11.735 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.060 -11.136 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.122 -12.214 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.724 -9.244 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.221 -9.064 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.663 -9.698 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.540 -10.802 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.045 -9.476 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.876 -11.241 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.244 -10.408 -4.854 1.00 0.00 H new ATOM 830 N SER A 56 -1.716 -12.897 -0.434 1.00 0.00 N ATOM 831 CA SER A 56 -1.797 -14.072 0.419 1.00 0.00 C ATOM 832 C SER A 56 -3.254 -14.348 0.793 1.00 0.00 C ATOM 833 O SER A 56 -3.787 -15.412 0.484 1.00 0.00 O ATOM 834 CB SER A 56 -0.949 -13.896 1.680 1.00 0.00 C ATOM 835 OG SER A 56 -0.450 -15.139 2.166 1.00 0.00 O ATOM 0 H SER A 56 -1.335 -12.067 0.019 1.00 0.00 H new ATOM 0 HA SER A 56 -1.404 -14.925 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.114 -13.229 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.547 -13.418 2.455 1.00 0.00 H new ATOM 0 HG SER A 56 0.088 -14.984 2.971 1.00 0.00 H new ATOM 841 N MET A 57 -3.858 -13.370 1.453 1.00 0.00 N ATOM 842 CA MET A 57 -5.243 -13.494 1.872 1.00 0.00 C ATOM 843 C MET A 57 -6.072 -14.230 0.817 1.00 0.00 C ATOM 844 O MET A 57 -7.004 -14.959 1.152 1.00 0.00 O ATOM 845 CB MET A 57 -5.833 -12.102 2.105 1.00 0.00 C ATOM 846 CG MET A 57 -5.238 -11.457 3.359 1.00 0.00 C ATOM 847 SD MET A 57 -6.535 -10.726 4.343 1.00 0.00 S ATOM 848 CE MET A 57 -5.980 -9.030 4.379 1.00 0.00 C ATOM 0 H MET A 57 -3.413 -12.488 1.708 1.00 0.00 H new ATOM 0 HA MET A 57 -5.272 -14.070 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.637 -11.470 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.916 -12.175 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.704 -12.205 3.944 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.511 -10.695 3.076 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.363 -8.541 5.274 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.890 -9.004 4.389 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.347 -8.508 3.495 1.00 0.00 H new ATOM 858 N GLY A 58 -5.702 -14.013 -0.437 1.00 0.00 N ATOM 859 CA GLY A 58 -6.399 -14.646 -1.543 1.00 0.00 C ATOM 860 C GLY A 58 -7.509 -13.741 -2.082 1.00 0.00 C ATOM 861 O GLY A 58 -8.462 -14.219 -2.695 1.00 0.00 O ATOM 0 H GLY A 58 -4.928 -13.407 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.692 -14.874 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.825 -15.594 -1.214 1.00 0.00 H new ATOM 865 N GLN A 59 -7.347 -12.449 -1.834 1.00 0.00 N ATOM 866 CA GLN A 59 -8.324 -11.473 -2.287 1.00 0.00 C ATOM 867 C GLN A 59 -7.820 -10.763 -3.546 1.00 0.00 C ATOM 868 O GLN A 59 -8.615 -10.329 -4.378 1.00 0.00 O ATOM 869 CB GLN A 59 -8.645 -10.465 -1.181 1.00 0.00 C ATOM 870 CG GLN A 59 -9.166 -11.173 0.071 1.00 0.00 C ATOM 871 CD GLN A 59 -10.591 -10.724 0.402 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.555 -11.109 -0.238 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.668 -9.889 1.435 1.00 0.00 N ATOM 0 H GLN A 59 -6.555 -12.056 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.247 -11.998 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.750 -9.893 -0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.390 -9.753 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.147 -12.252 -0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.509 -10.960 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.820 -9.607 1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.575 -9.531 1.735 1.00 0.00 H new ATOM 882 N LEU A 60 -6.503 -10.667 -3.646 1.00 0.00 N ATOM 883 CA LEU A 60 -5.884 -10.018 -4.789 1.00 0.00 C ATOM 884 C LEU A 60 -5.136 -11.062 -5.620 1.00 0.00 C ATOM 885 O LEU A 60 -4.641 -12.051 -5.081 1.00 0.00 O ATOM 886 CB LEU A 60 -5.006 -8.851 -4.332 1.00 0.00 C ATOM 887 CG LEU A 60 -4.215 -8.137 -5.430 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.145 -7.641 -6.540 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.366 -7.006 -4.847 1.00 0.00 C ATOM 0 H LEU A 60 -5.847 -11.028 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.644 -9.580 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.641 -8.118 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.302 -9.222 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.529 -8.855 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.558 -7.137 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.669 -8.489 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.871 -6.943 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.814 -6.515 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.014 -6.281 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.664 -7.415 -4.121 1.00 0.00 H new ATOM 901 N ASP A 61 -5.077 -10.807 -6.919 1.00 0.00 N ATOM 902 CA ASP A 61 -4.397 -11.713 -7.829 1.00 0.00 C ATOM 903 C ASP A 61 -3.264 -10.965 -8.535 1.00 0.00 C ATOM 904 O ASP A 61 -3.504 -9.972 -9.221 1.00 0.00 O ATOM 905 CB ASP A 61 -5.355 -12.239 -8.900 1.00 0.00 C ATOM 906 CG ASP A 61 -5.469 -13.763 -8.973 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.754 -14.424 -8.190 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.269 -14.233 -9.811 1.00 0.00 O ATOM 0 H ASP A 61 -5.489 -9.986 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.012 -12.550 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.346 -11.824 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.030 -11.867 -9.872 1.00 0.00 H new ATOM 913 N LEU A 62 -2.055 -11.470 -8.343 1.00 0.00 N ATOM 914 CA LEU A 62 -0.884 -10.862 -8.952 1.00 0.00 C ATOM 915 C LEU A 62 -0.688 -11.439 -10.356 1.00 0.00 C ATOM 916 O LEU A 62 -0.510 -12.645 -10.515 1.00 0.00 O ATOM 917 CB LEU A 62 0.337 -11.023 -8.045 1.00 0.00 C ATOM 918 CG LEU A 62 1.313 -9.844 -8.018 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.624 -10.234 -7.334 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.543 -9.291 -9.426 1.00 0.00 C ATOM 0 H LEU A 62 -1.860 -12.294 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.028 -9.787 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.012 -11.204 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.882 -11.913 -8.358 1.00 0.00 H new ATOM 0 HG LEU A 62 0.867 -9.044 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.300 -9.379 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.421 -10.543 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.087 -11.058 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.240 -8.454 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.958 -10.074 -10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.595 -8.950 -9.842 1.00 0.00 H new ATOM 932 N LEU A 63 -0.726 -10.549 -11.337 1.00 0.00 N ATOM 933 CA LEU A 63 -0.554 -10.955 -12.721 1.00 0.00 C ATOM 934 C LEU A 63 0.688 -10.272 -13.298 1.00 0.00 C ATOM 935 O LEU A 63 0.679 -9.068 -13.548 1.00 0.00 O ATOM 936 CB LEU A 63 -1.831 -10.686 -13.521 1.00 0.00 C ATOM 937 CG LEU A 63 -2.592 -11.921 -14.005 1.00 0.00 C ATOM 938 CD1 LEU A 63 -4.081 -11.814 -13.667 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.359 -12.160 -15.497 1.00 0.00 C ATOM 0 H LEU A 63 -0.873 -9.549 -11.201 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.386 -12.030 -12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.503 -10.088 -12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.571 -10.080 -14.389 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.203 -12.791 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.600 -12.705 -14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.204 -11.729 -12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.501 -10.932 -14.151 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.912 -13.044 -15.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.704 -11.294 -16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.295 -12.312 -15.679 1.00 0.00 H new ATOM 951 N ARG A 64 1.727 -11.072 -13.492 1.00 0.00 N ATOM 952 CA ARG A 64 2.974 -10.560 -14.035 1.00 0.00 C ATOM 953 C ARG A 64 2.840 -10.322 -15.540 1.00 0.00 C ATOM 954 O ARG A 64 2.813 -11.271 -16.322 1.00 0.00 O ATOM 955 CB ARG A 64 4.126 -11.533 -13.780 1.00 0.00 C ATOM 956 CG ARG A 64 4.475 -11.592 -12.291 1.00 0.00 C ATOM 957 CD ARG A 64 3.789 -12.781 -11.614 1.00 0.00 C ATOM 958 NE ARG A 64 4.790 -13.600 -10.895 1.00 0.00 N ATOM 959 CZ ARG A 64 4.488 -14.671 -10.148 1.00 0.00 C ATOM 960 NH1 ARG A 64 3.212 -15.059 -10.018 1.00 0.00 N ATOM 961 NH2 ARG A 64 5.462 -15.354 -9.532 1.00 0.00 N ATOM 0 H ARG A 64 1.731 -12.070 -13.283 1.00 0.00 H new ATOM 0 HA ARG A 64 3.192 -9.617 -13.533 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.852 -12.527 -14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.002 -11.223 -14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.555 -11.673 -12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.169 -10.666 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.030 -12.425 -10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.277 -13.389 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 64 5.771 -13.333 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.471 -14.539 -10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.982 -15.874 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.433 -15.059 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.232 -16.169 -8.963 1.00 0.00 H new ATOM 975 N SER A 65 2.759 -9.050 -15.901 1.00 0.00 N ATOM 976 CA SER A 65 2.628 -8.675 -17.299 1.00 0.00 C ATOM 977 C SER A 65 3.854 -7.874 -17.742 1.00 0.00 C ATOM 978 O SER A 65 4.744 -7.599 -16.940 1.00 0.00 O ATOM 979 CB SER A 65 1.351 -7.866 -17.535 1.00 0.00 C ATOM 980 OG SER A 65 1.538 -6.481 -17.260 1.00 0.00 O ATOM 0 H SER A 65 2.782 -8.266 -15.249 1.00 0.00 H new ATOM 0 HA SER A 65 2.563 -9.586 -17.893 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.029 -7.990 -18.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.553 -8.256 -16.904 1.00 0.00 H new ATOM 0 HG SER A 65 0.701 -5.999 -17.424 1.00 0.00 H new ATOM 986 N ASN A 66 3.860 -7.522 -19.020 1.00 0.00 N ATOM 987 CA ASN A 66 4.962 -6.757 -19.580 1.00 0.00 C ATOM 988 C ASN A 66 5.203 -5.514 -18.721 1.00 0.00 C ATOM 989 O ASN A 66 4.308 -4.687 -18.555 1.00 0.00 O ATOM 990 CB ASN A 66 4.644 -6.295 -21.003 1.00 0.00 C ATOM 991 CG ASN A 66 4.917 -7.409 -22.016 1.00 0.00 C ATOM 992 OD1 ASN A 66 5.302 -8.514 -21.672 1.00 0.00 O ATOM 993 ND2 ASN A 66 4.697 -7.057 -23.279 1.00 0.00 N ATOM 0 H ASN A 66 3.120 -7.752 -19.683 1.00 0.00 H new ATOM 0 HA ASN A 66 5.843 -7.398 -19.598 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.599 -5.990 -21.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.246 -5.420 -21.248 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.850 -7.730 -24.030 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.375 -6.114 -23.497 1.00 0.00 H new ATOM 1000 N THR A 67 6.417 -5.421 -18.199 1.00 0.00 N ATOM 1001 CA THR A 67 6.787 -4.293 -17.361 1.00 0.00 C ATOM 1002 C THR A 67 5.939 -4.273 -16.088 1.00 0.00 C ATOM 1003 O THR A 67 4.715 -4.165 -16.155 1.00 0.00 O ATOM 1004 CB THR A 67 6.656 -3.020 -18.199 1.00 0.00 C ATOM 1005 OG1 THR A 67 7.785 -3.058 -19.068 1.00 0.00 O ATOM 1006 CG2 THR A 67 6.866 -1.750 -17.372 1.00 0.00 C ATOM 0 H THR A 67 7.157 -6.108 -18.340 1.00 0.00 H new ATOM 0 HA THR A 67 7.820 -4.373 -17.023 1.00 0.00 H new ATOM 0 HB THR A 67 5.670 -2.992 -18.664 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.777 -2.269 -19.649 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.762 -0.876 -18.015 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.122 -1.706 -16.577 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.864 -1.762 -16.934 1.00 0.00 H new ATOM 1014 N GLY A 68 6.623 -4.378 -14.958 1.00 0.00 N ATOM 1015 CA GLY A 68 5.947 -4.373 -13.672 1.00 0.00 C ATOM 1016 C GLY A 68 4.948 -5.528 -13.573 1.00 0.00 C ATOM 1017 O GLY A 68 4.884 -6.376 -14.461 1.00 0.00 O ATOM 0 H GLY A 68 7.638 -4.467 -14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.682 -4.453 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.427 -3.425 -13.534 1.00 0.00 H new ATOM 1021 N LEU A 69 4.192 -5.522 -12.484 1.00 0.00 N ATOM 1022 CA LEU A 69 3.199 -6.558 -12.258 1.00 0.00 C ATOM 1023 C LEU A 69 1.802 -5.935 -12.288 1.00 0.00 C ATOM 1024 O LEU A 69 1.661 -4.715 -12.213 1.00 0.00 O ATOM 1025 CB LEU A 69 3.504 -7.320 -10.967 1.00 0.00 C ATOM 1026 CG LEU A 69 4.986 -7.507 -10.632 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.159 -8.299 -9.335 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.735 -8.149 -11.801 1.00 0.00 C ATOM 0 H LEU A 69 4.248 -4.816 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 69 3.235 -7.300 -13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.028 -6.796 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.039 -8.304 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 69 5.427 -6.523 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.221 -8.418 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.680 -7.763 -8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.699 -9.281 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.786 -8.271 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.300 -9.124 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.653 -7.510 -12.680 1.00 0.00 H new ATOM 1040 N LEU A 70 0.805 -6.800 -12.398 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.576 -6.350 -12.439 1.00 0.00 C ATOM 1042 C LEU A 70 -1.342 -6.960 -11.264 1.00 0.00 C ATOM 1043 O LEU A 70 -1.021 -8.058 -10.811 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.198 -6.654 -13.803 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.723 -6.557 -13.881 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.167 -5.973 -15.224 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.374 -7.913 -13.603 1.00 0.00 C ATOM 0 H LEU A 70 0.926 -7.811 -12.460 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.627 -5.267 -12.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.772 -5.968 -14.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.902 -7.660 -14.099 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.062 -5.872 -13.104 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.255 -5.915 -15.254 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.747 -4.974 -15.343 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.816 -6.613 -16.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.458 -7.816 -13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.032 -8.639 -14.341 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.096 -8.252 -12.605 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.341 -6.222 -10.803 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.156 -6.676 -9.689 1.00 0.00 C ATOM 1061 C TYR A 71 -4.645 -6.590 -10.027 1.00 0.00 C ATOM 1062 O TYR A 71 -5.163 -5.506 -10.294 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.853 -5.726 -8.529 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.359 -5.495 -8.287 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.517 -6.571 -8.096 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.855 -4.211 -8.261 1.00 0.00 C ATOM 1067 CE1 TYR A 71 0.888 -6.354 -7.868 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.550 -3.994 -8.034 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.353 -5.076 -7.848 1.00 0.00 C ATOM 1070 OH TYR A 71 2.680 -4.871 -7.634 1.00 0.00 O ATOM 0 H TYR A 71 -2.605 -5.312 -11.181 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.931 -7.715 -9.448 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.332 -4.766 -8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.300 -6.126 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.912 -7.576 -8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.514 -3.369 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.558 -7.188 -7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.957 -2.994 -8.012 1.00 0.00 H new ATOM 0 HH TYR A 71 2.869 -3.909 -7.647 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.292 -7.746 -10.006 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.712 -7.814 -10.308 1.00 0.00 C ATOM 1082 C ARG A 72 -7.448 -8.604 -9.223 1.00 0.00 C ATOM 1083 O ARG A 72 -6.828 -9.100 -8.284 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.956 -8.477 -11.665 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.527 -9.945 -11.643 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.283 -10.753 -12.700 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.691 -12.061 -12.141 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.956 -13.146 -12.882 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.856 -13.085 -14.217 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.320 -14.290 -12.288 1.00 0.00 N ATOM 0 H ARG A 72 -4.859 -8.643 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.093 -6.793 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.013 -8.407 -11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.403 -7.944 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.454 -10.017 -11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.713 -10.367 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.162 -10.200 -13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.651 -10.903 -13.575 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.776 -12.142 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.578 -12.213 -14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.057 -13.910 -14.782 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.396 -14.335 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.522 -15.116 -12.852 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.759 -8.695 -9.389 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.585 -9.416 -8.436 1.00 0.00 C ATOM 1106 C ILE A 73 -9.318 -10.917 -8.568 1.00 0.00 C ATOM 1107 O ILE A 73 -9.379 -11.468 -9.667 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.057 -9.036 -8.609 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.530 -8.139 -7.463 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.932 -10.283 -8.758 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.243 -8.785 -6.106 1.00 0.00 C ATOM 0 H ILE A 73 -9.270 -8.281 -10.169 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.324 -9.134 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.155 -8.462 -9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -11.029 -7.173 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.599 -7.951 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.973 -9.984 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.612 -10.849 -9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.834 -10.905 -7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.589 -8.127 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.765 -9.740 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.171 -8.949 -6.001 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.027 -11.536 -7.434 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.750 -12.962 -7.409 1.00 0.00 C ATOM 1125 C LYS A 74 -9.993 -13.727 -7.868 1.00 0.00 C ATOM 1126 O LYS A 74 -11.111 -13.394 -7.476 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.242 -13.385 -6.029 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.381 -14.646 -6.125 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.226 -14.598 -5.123 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.818 -16.007 -4.689 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.366 -16.064 -4.409 1.00 0.00 N ATOM 0 H LYS A 74 -8.977 -11.076 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.949 -13.207 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.660 -12.576 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.088 -13.567 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.996 -15.526 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.986 -14.745 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.372 -14.090 -5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.521 -14.016 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.377 -16.296 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.072 -16.722 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.130 -16.985 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.836 -15.943 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.110 -15.304 -3.746 1.00 0.00 H new ATOM 1145 N ASP A 75 -9.757 -14.737 -8.691 1.00 0.00 N ATOM 1146 CA ASP A 75 -10.844 -15.552 -9.208 1.00 0.00 C ATOM 1147 C ASP A 75 -10.264 -16.763 -9.940 1.00 0.00 C ATOM 1148 O ASP A 75 -9.060 -16.829 -10.182 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.699 -14.763 -10.202 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.200 -15.047 -10.131 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -13.579 -16.191 -10.463 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.936 -14.113 -9.745 1.00 0.00 O ATOM 0 H ASP A 75 -8.829 -15.010 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.463 -15.862 -8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.537 -13.698 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.350 -14.981 -11.211 1.00 0.00 H new ATOM 1157 N SER A 76 -11.148 -17.693 -10.272 1.00 0.00 N ATOM 1158 CA SER A 76 -10.738 -18.899 -10.971 1.00 0.00 C ATOM 1159 C SER A 76 -9.800 -19.724 -10.088 1.00 0.00 C ATOM 1160 O SER A 76 -8.589 -19.508 -10.092 1.00 0.00 O ATOM 1161 CB SER A 76 -10.057 -18.561 -12.299 1.00 0.00 C ATOM 1162 OG SER A 76 -10.406 -19.483 -13.328 1.00 0.00 O ATOM 0 H SER A 76 -12.146 -17.635 -10.070 1.00 0.00 H new ATOM 0 HA SER A 76 -11.630 -19.487 -11.190 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.338 -17.553 -12.605 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.976 -18.562 -12.163 1.00 0.00 H new ATOM 0 HG SER A 76 -9.953 -19.232 -14.160 1.00 0.00 H new ATOM 1168 N GLY A 77 -10.395 -20.650 -9.351 1.00 0.00 N ATOM 1169 CA GLY A 77 -9.628 -21.508 -8.465 1.00 0.00 C ATOM 1170 C GLY A 77 -10.488 -22.656 -7.933 1.00 0.00 C ATOM 1171 O GLY A 77 -11.710 -22.538 -7.856 1.00 0.00 O ATOM 0 H GLY A 77 -11.400 -20.825 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.767 -21.911 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.241 -20.922 -7.631 1.00 0.00 H new ATOM 1175 N PRO A 78 -9.798 -23.771 -7.569 1.00 0.00 N ATOM 1176 CA PRO A 78 -10.485 -24.939 -7.046 1.00 0.00 C ATOM 1177 C PRO A 78 -10.941 -24.708 -5.604 1.00 0.00 C ATOM 1178 O PRO A 78 -12.129 -24.801 -5.302 1.00 0.00 O ATOM 1179 CB PRO A 78 -9.485 -26.076 -7.179 1.00 0.00 C ATOM 1180 CG PRO A 78 -8.124 -25.417 -7.335 1.00 0.00 C ATOM 1181 CD PRO A 78 -8.351 -23.947 -7.646 1.00 0.00 C ATOM 0 HA PRO A 78 -11.401 -25.167 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.508 -26.721 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.717 -26.702 -8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.539 -25.528 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.559 -25.894 -8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.836 -23.307 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.973 -23.688 -8.635 1.00 0.00 H new ATOM 1189 N SER A 79 -9.971 -24.411 -4.752 1.00 0.00 N ATOM 1190 CA SER A 79 -10.257 -24.166 -3.348 1.00 0.00 C ATOM 1191 C SER A 79 -11.291 -23.047 -3.213 1.00 0.00 C ATOM 1192 O SER A 79 -11.178 -22.010 -3.865 1.00 0.00 O ATOM 1193 CB SER A 79 -8.983 -23.808 -2.581 1.00 0.00 C ATOM 1194 OG SER A 79 -8.684 -24.763 -1.566 1.00 0.00 O ATOM 0 H SER A 79 -8.986 -24.334 -5.006 1.00 0.00 H new ATOM 0 HA SER A 79 -10.663 -25.081 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.147 -23.745 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.097 -22.823 -2.129 1.00 0.00 H new ATOM 0 HG SER A 79 -7.863 -24.499 -1.101 1.00 0.00 H new ATOM 1200 N SER A 80 -12.275 -23.294 -2.361 1.00 0.00 N ATOM 1201 CA SER A 80 -13.329 -22.320 -2.132 1.00 0.00 C ATOM 1202 C SER A 80 -12.876 -21.296 -1.089 1.00 0.00 C ATOM 1203 O SER A 80 -12.356 -21.664 -0.037 1.00 0.00 O ATOM 1204 CB SER A 80 -14.621 -23.003 -1.679 1.00 0.00 C ATOM 1205 OG SER A 80 -15.205 -23.784 -2.718 1.00 0.00 O ATOM 0 H SER A 80 -12.365 -24.155 -1.821 1.00 0.00 H new ATOM 0 HA SER A 80 -13.532 -21.807 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.412 -23.641 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.334 -22.247 -1.349 1.00 0.00 H new ATOM 0 HG SER A 80 -16.026 -24.205 -2.389 1.00 0.00 H new ATOM 1211 N GLY A 81 -13.090 -20.030 -1.418 1.00 0.00 N ATOM 1212 CA GLY A 81 -12.711 -18.950 -0.524 1.00 0.00 C ATOM 1213 C GLY A 81 -11.948 -17.858 -1.276 1.00 0.00 C ATOM 1214 O GLY A 81 -11.513 -18.066 -2.407 1.00 0.00 O ATOM 0 H GLY A 81 -13.521 -19.729 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.603 -18.524 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.092 -19.342 0.283 1.00 0.00 H new TER 1218 GLY A 81