USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 505 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 Set 1.1: A 8 CYS SG : rot 180:sc= -0.657 USER MOD Set 1.2: A 32 HIS : no HE2:sc= -0.48 K(o=-1.1,f=-2.6) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.18) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0385 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -2.34! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.051 USER MOD Single : A 19 THR OG1 : rot -170:sc= -0.119 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0372 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.012 K(o=0.012,f=-1.8) USER MOD Single : A 33 SER OG : rot 180:sc= 0.011 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.515 K(o=-0.52,f=-4.6!) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.43 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 44 SER OG : rot 30:sc=0.000481 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.98) USER MOD Single : A 52 THR OG1 : rot 32:sc= 0.632 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.79 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 33:sc= 0.824 USER MOD Single : A 71 SER OG : rot 83:sc= 1.25 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.840 -28.067 6.732 1.00 0.00 N ATOM 2 CA GLY A 1 0.533 -27.504 6.365 1.00 0.00 C ATOM 3 C GLY A 1 0.708 -26.256 5.523 1.00 0.00 C ATOM 4 O GLY A 1 0.400 -26.260 4.331 1.00 0.00 O ATOM 0 H1 GLY A 1 1.700 -28.921 7.309 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.366 -28.313 5.870 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.379 -27.365 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.046 -28.244 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.032 -27.265 7.266 1.00 0.00 H new ATOM 8 N SER A 2 1.189 -25.182 6.144 1.00 0.00 N ATOM 9 CA SER A 2 1.442 -23.893 5.534 1.00 0.00 C ATOM 10 C SER A 2 2.449 -24.016 4.392 1.00 0.00 C ATOM 11 O SER A 2 3.623 -24.281 4.652 1.00 0.00 O ATOM 12 CB SER A 2 1.978 -22.946 6.614 1.00 0.00 C ATOM 13 OG SER A 2 1.009 -22.797 7.638 1.00 0.00 O ATOM 0 H SER A 2 1.423 -25.195 7.137 1.00 0.00 H new ATOM 0 HA SER A 2 0.516 -23.501 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.905 -23.340 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.213 -21.975 6.177 1.00 0.00 H new ATOM 0 HG SER A 2 1.353 -22.193 8.329 1.00 0.00 H new ATOM 19 N SER A 3 2.003 -23.880 3.142 1.00 0.00 N ATOM 20 CA SER A 3 2.903 -23.948 1.994 1.00 0.00 C ATOM 21 C SER A 3 3.609 -22.595 1.803 1.00 0.00 C ATOM 22 O SER A 3 4.630 -22.537 1.116 1.00 0.00 O ATOM 23 CB SER A 3 2.138 -24.353 0.728 1.00 0.00 C ATOM 24 OG SER A 3 1.596 -25.657 0.879 1.00 0.00 O ATOM 0 H SER A 3 1.025 -23.722 2.901 1.00 0.00 H new ATOM 0 HA SER A 3 3.659 -24.711 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.338 -23.639 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.805 -24.326 -0.133 1.00 0.00 H new ATOM 0 HG SER A 3 1.108 -25.905 0.066 1.00 0.00 H new ATOM 30 N GLY A 4 3.118 -21.525 2.429 1.00 0.00 N ATOM 31 CA GLY A 4 3.628 -20.166 2.377 1.00 0.00 C ATOM 32 C GLY A 4 2.743 -19.292 3.265 1.00 0.00 C ATOM 33 O GLY A 4 1.820 -19.803 3.916 1.00 0.00 O ATOM 0 H GLY A 4 2.295 -21.597 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.662 -20.134 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.622 -19.796 1.352 1.00 0.00 H new ATOM 37 N SER A 5 3.035 -17.992 3.313 1.00 0.00 N ATOM 38 CA SER A 5 2.303 -17.005 4.096 1.00 0.00 C ATOM 39 C SER A 5 0.836 -16.974 3.662 1.00 0.00 C ATOM 40 O SER A 5 0.546 -16.619 2.520 1.00 0.00 O ATOM 41 CB SER A 5 2.987 -15.639 3.951 1.00 0.00 C ATOM 42 OG SER A 5 3.398 -15.391 2.615 1.00 0.00 O ATOM 0 H SER A 5 3.812 -17.588 2.791 1.00 0.00 H new ATOM 0 HA SER A 5 2.315 -17.274 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.302 -14.854 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.853 -15.595 4.611 1.00 0.00 H new ATOM 0 HG SER A 5 3.827 -14.512 2.563 1.00 0.00 H new ATOM 48 N SER A 6 -0.081 -17.359 4.552 1.00 0.00 N ATOM 49 CA SER A 6 -1.507 -17.394 4.272 1.00 0.00 C ATOM 50 C SER A 6 -2.264 -17.182 5.585 1.00 0.00 C ATOM 51 O SER A 6 -1.962 -17.850 6.581 1.00 0.00 O ATOM 52 CB SER A 6 -1.805 -18.769 3.656 1.00 0.00 C ATOM 53 OG SER A 6 -3.112 -18.845 3.135 1.00 0.00 O ATOM 0 H SER A 6 0.155 -17.658 5.498 1.00 0.00 H new ATOM 0 HA SER A 6 -1.819 -16.612 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.086 -18.973 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.672 -19.542 4.413 1.00 0.00 H new ATOM 0 HG SER A 6 -3.260 -19.735 2.751 1.00 0.00 H new ATOM 59 N GLY A 7 -3.248 -16.279 5.600 1.00 0.00 N ATOM 60 CA GLY A 7 -4.069 -15.941 6.758 1.00 0.00 C ATOM 61 C GLY A 7 -4.178 -14.429 6.934 1.00 0.00 C ATOM 62 O GLY A 7 -3.401 -13.687 6.329 1.00 0.00 O ATOM 0 H GLY A 7 -3.502 -15.743 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.064 -16.369 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.637 -16.384 7.655 1.00 0.00 H new ATOM 66 N CYS A 8 -5.108 -13.962 7.786 1.00 0.00 N ATOM 67 CA CYS A 8 -5.297 -12.525 8.027 1.00 0.00 C ATOM 68 C CYS A 8 -3.993 -11.890 8.525 1.00 0.00 C ATOM 69 O CYS A 8 -3.570 -12.224 9.630 1.00 0.00 O ATOM 70 CB CYS A 8 -6.409 -12.210 9.063 1.00 0.00 C ATOM 71 SG CYS A 8 -6.900 -10.458 8.960 1.00 0.00 S ATOM 0 H CYS A 8 -5.739 -14.561 8.318 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.601 -12.107 7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.274 -12.847 8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.052 -12.435 10.068 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.832 -10.217 9.833 1.00 0.00 H new ATOM 76 N VAL A 9 -3.436 -10.900 7.833 1.00 0.00 N ATOM 77 CA VAL A 9 -2.198 -10.180 8.204 1.00 0.00 C ATOM 78 C VAL A 9 -2.340 -9.415 9.552 1.00 0.00 C ATOM 79 O VAL A 9 -1.400 -8.802 10.061 1.00 0.00 O ATOM 80 CB VAL A 9 -1.831 -9.281 6.992 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.674 -8.299 7.215 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.454 -10.181 5.804 1.00 0.00 C ATOM 0 H VAL A 9 -3.842 -10.556 6.963 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.378 -10.872 8.400 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.718 -8.672 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.505 -7.724 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.924 -7.622 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.230 -8.853 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.194 -9.561 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.600 -10.802 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.300 -10.819 5.548 1.00 0.00 H new ATOM 92 N ALA A 10 -3.531 -9.458 10.160 1.00 0.00 N ATOM 93 CA ALA A 10 -3.891 -8.834 11.426 1.00 0.00 C ATOM 94 C ALA A 10 -4.379 -9.847 12.480 1.00 0.00 C ATOM 95 O ALA A 10 -5.007 -9.444 13.457 1.00 0.00 O ATOM 96 CB ALA A 10 -4.991 -7.823 11.126 1.00 0.00 C ATOM 0 H ALA A 10 -4.316 -9.964 9.749 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.006 -8.362 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.293 -7.329 12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.619 -7.079 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.849 -8.337 10.692 1.00 0.00 H new ATOM 102 N CYS A 11 -4.325 -11.162 12.233 1.00 0.00 N ATOM 103 CA CYS A 11 -4.732 -12.163 13.237 1.00 0.00 C ATOM 104 C CYS A 11 -4.155 -13.566 13.011 1.00 0.00 C ATOM 105 O CYS A 11 -4.391 -14.441 13.840 1.00 0.00 O ATOM 106 CB CYS A 11 -6.258 -12.265 13.365 1.00 0.00 C ATOM 107 SG CYS A 11 -7.102 -13.314 12.179 1.00 0.00 S ATOM 0 H CYS A 11 -4.005 -11.560 11.350 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.305 -11.785 14.166 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.491 -12.628 14.366 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.673 -11.260 13.286 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.380 -13.298 12.418 1.00 0.00 H new ATOM 112 N SER A 12 -3.479 -13.813 11.885 1.00 0.00 N ATOM 113 CA SER A 12 -2.887 -15.101 11.509 1.00 0.00 C ATOM 114 C SER A 12 -3.904 -16.263 11.432 1.00 0.00 C ATOM 115 O SER A 12 -3.498 -17.423 11.446 1.00 0.00 O ATOM 116 CB SER A 12 -1.701 -15.428 12.426 1.00 0.00 C ATOM 117 OG SER A 12 -0.704 -14.419 12.367 1.00 0.00 O ATOM 0 H SER A 12 -3.323 -13.091 11.181 1.00 0.00 H new ATOM 0 HA SER A 12 -2.521 -14.991 10.488 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.052 -15.535 13.452 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.269 -16.386 12.136 1.00 0.00 H new ATOM 0 HG SER A 12 0.037 -14.656 12.963 1.00 0.00 H new ATOM 123 N LYS A 13 -5.226 -16.010 11.440 1.00 0.00 N ATOM 124 CA LYS A 13 -6.203 -17.097 11.345 1.00 0.00 C ATOM 125 C LYS A 13 -6.344 -17.483 9.872 1.00 0.00 C ATOM 126 O LYS A 13 -6.219 -16.591 9.024 1.00 0.00 O ATOM 127 CB LYS A 13 -7.595 -16.731 11.889 1.00 0.00 C ATOM 128 CG LYS A 13 -7.666 -16.697 13.424 1.00 0.00 C ATOM 129 CD LYS A 13 -9.129 -16.632 13.886 1.00 0.00 C ATOM 130 CE LYS A 13 -9.307 -17.098 15.335 1.00 0.00 C ATOM 131 NZ LYS A 13 -8.811 -16.151 16.356 1.00 0.00 N ATOM 0 H LYS A 13 -5.632 -15.077 11.510 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.831 -17.917 11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.883 -15.755 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.323 -17.451 11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.186 -17.584 13.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.119 -15.833 13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.492 -15.609 13.789 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.742 -17.251 13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.366 -17.283 15.515 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.791 -18.050 15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.972 -16.547 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.793 -15.991 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.319 -15.248 16.267 1.00 0.00 H new ATOM 145 N PRO A 14 -6.631 -18.760 9.565 1.00 0.00 N ATOM 146 CA PRO A 14 -6.803 -19.249 8.205 1.00 0.00 C ATOM 147 C PRO A 14 -8.134 -18.733 7.651 1.00 0.00 C ATOM 148 O PRO A 14 -9.195 -18.969 8.246 1.00 0.00 O ATOM 149 CB PRO A 14 -6.778 -20.780 8.310 1.00 0.00 C ATOM 150 CG PRO A 14 -7.263 -21.063 9.730 1.00 0.00 C ATOM 151 CD PRO A 14 -6.791 -19.846 10.524 1.00 0.00 C ATOM 0 HA PRO A 14 -6.024 -18.905 7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.429 -21.241 7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.775 -21.175 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.347 -21.170 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.837 -21.987 10.122 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.516 -19.580 11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.850 -20.056 11.032 1.00 0.00 H new ATOM 159 N ILE A 15 -8.100 -17.930 6.589 1.00 0.00 N ATOM 160 CA ILE A 15 -9.313 -17.405 5.965 1.00 0.00 C ATOM 161 C ILE A 15 -9.896 -18.602 5.203 1.00 0.00 C ATOM 162 O ILE A 15 -9.148 -19.361 4.585 1.00 0.00 O ATOM 163 CB ILE A 15 -8.970 -16.184 5.078 1.00 0.00 C ATOM 164 CG1 ILE A 15 -8.360 -15.062 5.957 1.00 0.00 C ATOM 165 CG2 ILE A 15 -10.196 -15.659 4.319 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.823 -13.864 5.176 1.00 0.00 C ATOM 0 H ILE A 15 -7.236 -17.626 6.139 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.050 -17.020 6.670 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.244 -16.505 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.120 -14.712 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.550 -15.484 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.907 -14.802 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.590 -16.446 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.963 -15.356 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.416 -13.130 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.038 -14.195 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.632 -13.411 4.603 1.00 0.00 H new ATOM 178 N SER A 16 -11.218 -18.774 5.232 1.00 0.00 N ATOM 179 CA SER A 16 -11.896 -19.885 4.576 1.00 0.00 C ATOM 180 C SER A 16 -11.557 -20.033 3.091 1.00 0.00 C ATOM 181 O SER A 16 -11.391 -21.155 2.615 1.00 0.00 O ATOM 182 CB SER A 16 -13.412 -19.718 4.726 1.00 0.00 C ATOM 183 OG SER A 16 -13.788 -19.184 5.983 1.00 0.00 O ATOM 0 H SER A 16 -11.851 -18.138 5.717 1.00 0.00 H new ATOM 0 HA SER A 16 -11.542 -20.790 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.780 -19.065 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.894 -20.686 4.590 1.00 0.00 H new ATOM 0 HG SER A 16 -14.763 -19.097 6.023 1.00 0.00 H new ATOM 189 N GLY A 17 -11.472 -18.913 2.367 1.00 0.00 N ATOM 190 CA GLY A 17 -11.179 -18.889 0.945 1.00 0.00 C ATOM 191 C GLY A 17 -12.366 -19.459 0.177 1.00 0.00 C ATOM 192 O GLY A 17 -13.309 -18.726 -0.123 1.00 0.00 O ATOM 0 H GLY A 17 -11.609 -17.985 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.978 -17.868 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.282 -19.472 0.737 1.00 0.00 H new ATOM 196 N LEU A 18 -12.346 -20.773 -0.059 1.00 0.00 N ATOM 197 CA LEU A 18 -13.328 -21.587 -0.776 1.00 0.00 C ATOM 198 C LEU A 18 -14.779 -21.259 -0.438 1.00 0.00 C ATOM 199 O LEU A 18 -15.598 -21.128 -1.346 1.00 0.00 O ATOM 200 CB LEU A 18 -13.103 -23.087 -0.474 1.00 0.00 C ATOM 201 CG LEU A 18 -11.870 -23.773 -1.092 1.00 0.00 C ATOM 202 CD1 LEU A 18 -11.847 -23.598 -2.611 1.00 0.00 C ATOM 203 CD2 LEU A 18 -10.545 -23.300 -0.483 1.00 0.00 C ATOM 0 H LEU A 18 -11.572 -21.345 0.278 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.172 -21.356 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.043 -23.204 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.988 -23.630 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.966 -24.832 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.966 -24.092 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.745 -24.041 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.814 -22.536 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.717 -23.822 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.436 -22.227 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.539 -23.514 0.586 1.00 0.00 H new ATOM 215 N THR A 19 -15.095 -21.033 0.836 1.00 0.00 N ATOM 216 CA THR A 19 -16.452 -20.745 1.285 1.00 0.00 C ATOM 217 C THR A 19 -16.990 -19.398 0.771 1.00 0.00 C ATOM 218 O THR A 19 -18.199 -19.195 0.769 1.00 0.00 O ATOM 219 CB THR A 19 -16.445 -20.764 2.827 1.00 0.00 C ATOM 220 OG1 THR A 19 -15.658 -21.836 3.332 1.00 0.00 O ATOM 221 CG2 THR A 19 -17.845 -20.828 3.433 1.00 0.00 C ATOM 0 H THR A 19 -14.409 -21.045 1.591 1.00 0.00 H new ATOM 0 HA THR A 19 -17.120 -21.504 0.877 1.00 0.00 H new ATOM 0 HB THR A 19 -15.999 -19.816 3.127 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.799 -21.918 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.771 -20.839 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.418 -19.957 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.347 -21.735 3.095 1.00 0.00 H new ATOM 229 N GLY A 20 -16.143 -18.477 0.302 1.00 0.00 N ATOM 230 CA GLY A 20 -16.598 -17.179 -0.185 1.00 0.00 C ATOM 231 C GLY A 20 -16.756 -16.153 0.936 1.00 0.00 C ATOM 232 O GLY A 20 -17.486 -15.173 0.779 1.00 0.00 O ATOM 0 H GLY A 20 -15.133 -18.611 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.887 -16.802 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -17.552 -17.302 -0.697 1.00 0.00 H new ATOM 236 N ALA A 21 -16.080 -16.368 2.072 1.00 0.00 N ATOM 237 CA ALA A 21 -16.119 -15.473 3.223 1.00 0.00 C ATOM 238 C ALA A 21 -15.674 -14.066 2.808 1.00 0.00 C ATOM 239 O ALA A 21 -14.878 -13.927 1.882 1.00 0.00 O ATOM 240 CB ALA A 21 -15.184 -16.030 4.303 1.00 0.00 C ATOM 0 H ALA A 21 -15.483 -17.183 2.214 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.135 -15.408 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.200 -15.373 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.517 -17.026 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.169 -16.088 3.911 1.00 0.00 H new ATOM 246 N LYS A 22 -16.130 -13.022 3.503 1.00 0.00 N ATOM 247 CA LYS A 22 -15.751 -11.650 3.167 1.00 0.00 C ATOM 248 C LYS A 22 -14.337 -11.333 3.649 1.00 0.00 C ATOM 249 O LYS A 22 -14.069 -11.270 4.854 1.00 0.00 O ATOM 250 CB LYS A 22 -16.771 -10.648 3.723 1.00 0.00 C ATOM 251 CG LYS A 22 -18.104 -10.635 2.951 1.00 0.00 C ATOM 252 CD LYS A 22 -18.163 -9.638 1.784 1.00 0.00 C ATOM 253 CE LYS A 22 -17.556 -10.172 0.481 1.00 0.00 C ATOM 254 NZ LYS A 22 -17.336 -9.090 -0.498 1.00 0.00 N ATOM 0 H LYS A 22 -16.761 -13.101 4.300 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.753 -11.557 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.968 -10.885 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.337 -9.649 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.294 -11.636 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.909 -10.404 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.203 -9.365 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.639 -8.726 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.609 -10.667 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.218 -10.923 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.925 -9.486 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.244 -8.634 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.684 -8.386 -0.097 1.00 0.00 H new ATOM 268 N PHE A 23 -13.419 -11.166 2.704 1.00 0.00 N ATOM 269 CA PHE A 23 -12.025 -10.830 2.933 1.00 0.00 C ATOM 270 C PHE A 23 -11.632 -9.751 1.928 1.00 0.00 C ATOM 271 O PHE A 23 -12.360 -9.473 0.972 1.00 0.00 O ATOM 272 CB PHE A 23 -11.114 -12.072 2.902 1.00 0.00 C ATOM 273 CG PHE A 23 -11.282 -13.028 1.736 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.692 -12.755 0.487 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.989 -14.231 1.921 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.824 -13.677 -0.568 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.124 -15.150 0.869 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.540 -14.872 -0.377 1.00 0.00 C ATOM 0 H PHE A 23 -13.640 -11.266 1.713 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.891 -10.432 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.079 -11.731 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.275 -12.632 3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.139 -11.839 0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.432 -14.449 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.374 -13.466 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.675 -16.067 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.641 -15.576 -1.189 1.00 0.00 H new ATOM 288 N ILE A 24 -10.513 -9.083 2.177 1.00 0.00 N ATOM 289 CA ILE A 24 -9.978 -8.024 1.339 1.00 0.00 C ATOM 290 C ILE A 24 -8.611 -8.505 0.880 1.00 0.00 C ATOM 291 O ILE A 24 -7.866 -9.085 1.676 1.00 0.00 O ATOM 292 CB ILE A 24 -9.916 -6.683 2.099 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.268 -6.268 2.724 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.401 -5.579 1.163 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.400 -5.986 1.731 1.00 0.00 C ATOM 0 H ILE A 24 -9.935 -9.272 2.996 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.618 -7.827 0.479 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.225 -6.823 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.592 -7.058 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.109 -5.375 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.359 -4.634 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.404 -5.839 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.075 -5.480 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.301 -5.704 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.108 -5.172 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.598 -6.881 1.141 1.00 0.00 H new ATOM 307 N CYS A 25 -8.319 -8.276 -0.394 1.00 0.00 N ATOM 308 CA CYS A 25 -7.092 -8.638 -1.069 1.00 0.00 C ATOM 309 C CYS A 25 -6.485 -7.343 -1.603 1.00 0.00 C ATOM 310 O CYS A 25 -7.104 -6.636 -2.401 1.00 0.00 O ATOM 311 CB CYS A 25 -7.391 -9.685 -2.152 1.00 0.00 C ATOM 312 SG CYS A 25 -8.839 -9.250 -3.161 1.00 0.00 S ATOM 0 H CYS A 25 -8.976 -7.804 -1.015 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.365 -9.107 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.520 -9.792 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.559 -10.653 -1.680 1.00 0.00 H new ATOM 0 HG CYS A 25 -9.036 -10.171 -4.057 1.00 0.00 H new ATOM 318 N PHE A 26 -5.350 -6.950 -1.035 1.00 0.00 N ATOM 319 CA PHE A 26 -4.603 -5.756 -1.396 1.00 0.00 C ATOM 320 C PHE A 26 -3.118 -6.080 -1.199 1.00 0.00 C ATOM 321 O PHE A 26 -2.822 -6.904 -0.340 1.00 0.00 O ATOM 322 CB PHE A 26 -5.103 -4.589 -0.528 1.00 0.00 C ATOM 323 CG PHE A 26 -4.262 -3.339 -0.631 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.236 -2.611 -1.835 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.471 -2.927 0.458 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.405 -1.486 -1.955 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.650 -1.795 0.341 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.614 -1.078 -0.866 1.00 0.00 C ATOM 0 H PHE A 26 -4.910 -7.477 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.746 -5.454 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.127 -4.350 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.131 -4.911 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.855 -2.917 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.496 -3.482 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.373 -0.934 -2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.047 -1.476 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.977 -0.211 -0.958 1.00 0.00 H new ATOM 338 N GLN A 27 -2.196 -5.475 -1.960 1.00 0.00 N ATOM 339 CA GLN A 27 -0.736 -5.673 -1.865 1.00 0.00 C ATOM 340 C GLN A 27 -0.270 -7.129 -1.670 1.00 0.00 C ATOM 341 O GLN A 27 0.784 -7.382 -1.086 1.00 0.00 O ATOM 342 CB GLN A 27 -0.161 -4.725 -0.787 1.00 0.00 C ATOM 343 CG GLN A 27 -0.068 -3.280 -1.292 1.00 0.00 C ATOM 344 CD GLN A 27 0.903 -3.084 -2.456 1.00 0.00 C ATOM 345 OE1 GLN A 27 0.576 -2.395 -3.417 1.00 0.00 O ATOM 346 NE2 GLN A 27 2.078 -3.691 -2.434 1.00 0.00 N ATOM 0 H GLN A 27 -2.452 -4.808 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.330 -5.418 -2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.791 -4.760 0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.829 -5.071 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.060 -2.951 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.238 -2.637 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.342 -4.262 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.720 -3.588 -3.220 1.00 0.00 H new ATOM 355 N ASP A 28 -0.997 -8.094 -2.239 1.00 0.00 N ATOM 356 CA ASP A 28 -0.689 -9.520 -2.132 1.00 0.00 C ATOM 357 C ASP A 28 -0.618 -9.972 -0.662 1.00 0.00 C ATOM 358 O ASP A 28 0.232 -10.756 -0.226 1.00 0.00 O ATOM 359 CB ASP A 28 0.527 -9.856 -2.990 1.00 0.00 C ATOM 360 CG ASP A 28 0.789 -11.348 -3.053 1.00 0.00 C ATOM 361 OD1 ASP A 28 -0.169 -12.131 -3.247 1.00 0.00 O ATOM 362 OD2 ASP A 28 1.986 -11.705 -3.015 1.00 0.00 O ATOM 0 H ASP A 28 -1.830 -7.902 -2.796 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.505 -10.114 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.375 -9.473 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.405 -9.351 -2.586 1.00 0.00 H new ATOM 367 N SER A 29 -1.563 -9.433 0.101 1.00 0.00 N ATOM 368 CA SER A 29 -1.846 -9.605 1.511 1.00 0.00 C ATOM 369 C SER A 29 -3.356 -9.874 1.632 1.00 0.00 C ATOM 370 O SER A 29 -4.115 -9.597 0.689 1.00 0.00 O ATOM 371 CB SER A 29 -1.419 -8.336 2.255 1.00 0.00 C ATOM 372 OG SER A 29 -0.041 -8.043 2.132 1.00 0.00 O ATOM 0 H SER A 29 -2.230 -8.783 -0.315 1.00 0.00 H new ATOM 0 HA SER A 29 -1.299 -10.438 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.996 -7.492 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.666 -8.444 3.311 1.00 0.00 H new ATOM 0 HG SER A 29 0.164 -7.223 2.627 1.00 0.00 H new ATOM 378 N GLN A 30 -3.804 -10.376 2.784 1.00 0.00 N ATOM 379 CA GLN A 30 -5.193 -10.719 3.044 1.00 0.00 C ATOM 380 C GLN A 30 -5.673 -10.170 4.388 1.00 0.00 C ATOM 381 O GLN A 30 -5.011 -10.335 5.419 1.00 0.00 O ATOM 382 CB GLN A 30 -5.331 -12.254 3.072 1.00 0.00 C ATOM 383 CG GLN A 30 -4.907 -13.002 1.793 1.00 0.00 C ATOM 384 CD GLN A 30 -4.694 -14.505 2.014 1.00 0.00 C ATOM 385 OE1 GLN A 30 -4.971 -15.069 3.080 1.00 0.00 O ATOM 386 NE2 GLN A 30 -4.204 -15.189 0.998 1.00 0.00 N ATOM 0 H GLN A 30 -3.191 -10.558 3.579 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.800 -10.278 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.738 -12.635 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.372 -12.500 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.669 -12.858 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.985 -12.563 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.979 -14.713 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.050 -16.193 1.086 1.00 0.00 H new ATOM 395 N TRP A 31 -6.857 -9.556 4.400 1.00 0.00 N ATOM 396 CA TRP A 31 -7.491 -9.004 5.594 1.00 0.00 C ATOM 397 C TRP A 31 -8.951 -9.455 5.649 1.00 0.00 C ATOM 398 O TRP A 31 -9.503 -9.949 4.671 1.00 0.00 O ATOM 399 CB TRP A 31 -7.360 -7.477 5.644 1.00 0.00 C ATOM 400 CG TRP A 31 -5.973 -6.979 5.904 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.420 -6.762 7.120 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.951 -6.605 4.934 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.130 -6.301 6.968 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.789 -6.177 5.642 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.900 -6.552 3.527 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.633 -5.723 4.991 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.753 -6.081 2.867 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.618 -5.672 3.590 1.00 0.00 C ATOM 0 H TRP A 31 -7.415 -9.426 3.556 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.978 -9.385 6.477 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.709 -7.064 4.697 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.021 -7.094 6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.915 -6.925 8.066 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.506 -6.079 7.743 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.753 -6.877 2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.767 -5.417 5.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.742 -6.032 1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.740 -5.321 3.069 1.00 0.00 H new ATOM 419 N HIS A 32 -9.572 -9.373 6.822 1.00 0.00 N ATOM 420 CA HIS A 32 -10.978 -9.740 7.008 1.00 0.00 C ATOM 421 C HIS A 32 -11.799 -8.460 6.942 1.00 0.00 C ATOM 422 O HIS A 32 -11.242 -7.375 7.114 1.00 0.00 O ATOM 423 CB HIS A 32 -11.199 -10.378 8.384 1.00 0.00 C ATOM 424 CG HIS A 32 -10.800 -11.805 8.475 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.782 -12.291 9.298 1.00 0.00 N ATOM 426 CD2 HIS A 32 -11.485 -12.830 7.907 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.892 -13.637 9.163 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.912 -13.982 8.357 1.00 0.00 N ATOM 0 H HIS A 32 -9.116 -9.049 7.675 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.270 -10.454 6.238 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.640 -9.810 9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.254 -10.292 8.645 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.117 -11.763 9.863 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.322 -12.749 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.237 -14.347 9.646 1.00 0.00 H new ATOM 436 N SER A 33 -13.115 -8.592 6.816 1.00 0.00 N ATOM 437 CA SER A 33 -14.049 -7.480 6.763 1.00 0.00 C ATOM 438 C SER A 33 -13.926 -6.556 7.987 1.00 0.00 C ATOM 439 O SER A 33 -14.091 -5.341 7.880 1.00 0.00 O ATOM 440 CB SER A 33 -15.461 -8.070 6.637 1.00 0.00 C ATOM 441 OG SER A 33 -15.652 -9.077 7.621 1.00 0.00 O ATOM 0 H SER A 33 -13.571 -9.502 6.746 1.00 0.00 H new ATOM 0 HA SER A 33 -13.823 -6.850 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.206 -7.284 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.602 -8.490 5.641 1.00 0.00 H new ATOM 0 HG SER A 33 -16.555 -9.449 7.537 1.00 0.00 H new ATOM 447 N GLU A 34 -13.551 -7.109 9.136 1.00 0.00 N ATOM 448 CA GLU A 34 -13.402 -6.399 10.405 1.00 0.00 C ATOM 449 C GLU A 34 -11.933 -6.136 10.754 1.00 0.00 C ATOM 450 O GLU A 34 -11.626 -5.710 11.866 1.00 0.00 O ATOM 451 CB GLU A 34 -14.087 -7.246 11.491 1.00 0.00 C ATOM 452 CG GLU A 34 -15.584 -7.430 11.211 1.00 0.00 C ATOM 453 CD GLU A 34 -16.326 -6.117 11.406 1.00 0.00 C ATOM 454 OE1 GLU A 34 -16.478 -5.672 12.560 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.767 -5.517 10.393 1.00 0.00 O ATOM 0 H GLU A 34 -13.334 -8.103 9.213 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.869 -5.417 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.605 -8.222 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.955 -6.768 12.462 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.728 -7.788 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.994 -8.189 11.877 1.00 0.00 H new ATOM 462 N CYS A 35 -11.002 -6.474 9.861 1.00 0.00 N ATOM 463 CA CYS A 35 -9.564 -6.270 10.050 1.00 0.00 C ATOM 464 C CYS A 35 -8.942 -5.421 8.930 1.00 0.00 C ATOM 465 O CYS A 35 -7.718 -5.330 8.858 1.00 0.00 O ATOM 466 CB CYS A 35 -8.850 -7.609 10.320 1.00 0.00 C ATOM 467 SG CYS A 35 -8.772 -8.009 12.099 1.00 0.00 S ATOM 0 H CYS A 35 -11.231 -6.907 8.966 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.414 -5.671 10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.371 -8.408 9.793 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.839 -7.567 9.915 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.163 -9.146 12.262 1.00 0.00 H new ATOM 472 N PHE A 36 -9.748 -4.865 8.021 1.00 0.00 N ATOM 473 CA PHE A 36 -9.259 -4.001 6.960 1.00 0.00 C ATOM 474 C PHE A 36 -9.638 -2.647 7.543 1.00 0.00 C ATOM 475 O PHE A 36 -10.814 -2.279 7.479 1.00 0.00 O ATOM 476 CB PHE A 36 -9.929 -4.352 5.627 1.00 0.00 C ATOM 477 CG PHE A 36 -9.455 -3.530 4.441 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.177 -3.756 3.892 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.296 -2.557 3.866 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.736 -2.995 2.794 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.862 -1.813 2.756 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.578 -2.024 2.226 1.00 0.00 C ATOM 0 H PHE A 36 -10.758 -5.006 8.006 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.201 -4.069 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.753 -5.406 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.006 -4.224 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.535 -4.515 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.278 -2.382 4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.749 -3.157 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.516 -1.078 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.239 -1.441 1.383 1.00 0.00 H new ATOM 492 N ASN A 37 -8.673 -1.936 8.140 1.00 0.00 N ATOM 493 CA ASN A 37 -8.947 -0.663 8.800 1.00 0.00 C ATOM 494 C ASN A 37 -7.816 0.358 8.672 1.00 0.00 C ATOM 495 O ASN A 37 -6.655 -0.043 8.556 1.00 0.00 O ATOM 496 CB ASN A 37 -9.102 -0.928 10.311 1.00 0.00 C ATOM 497 CG ASN A 37 -10.123 -1.979 10.733 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.320 -1.806 10.566 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.706 -3.069 11.353 1.00 0.00 N ATOM 0 H ASN A 37 -7.696 -2.225 8.177 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.838 -0.258 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.129 -1.225 10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.366 0.013 10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.382 -3.756 11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.708 -3.223 11.498 1.00 0.00 H new ATOM 506 N CYS A 38 -8.140 1.659 8.821 1.00 0.00 N ATOM 507 CA CYS A 38 -7.202 2.790 8.732 1.00 0.00 C ATOM 508 C CYS A 38 -6.000 2.566 9.633 1.00 0.00 C ATOM 509 O CYS A 38 -6.207 2.622 10.844 1.00 0.00 O ATOM 510 CB CYS A 38 -7.812 4.161 9.153 1.00 0.00 C ATOM 511 SG CYS A 38 -6.670 5.479 8.671 1.00 0.00 S ATOM 0 H CYS A 38 -9.096 1.958 9.013 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.931 2.831 7.677 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.780 4.306 8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.982 4.184 10.229 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.167 6.630 9.014 1.00 0.00 H new ATOM 516 N GLY A 39 -4.777 2.485 9.102 1.00 0.00 N ATOM 517 CA GLY A 39 -3.578 2.290 9.922 1.00 0.00 C ATOM 518 C GLY A 39 -3.440 3.339 11.038 1.00 0.00 C ATOM 519 O GLY A 39 -2.908 3.047 12.105 1.00 0.00 O ATOM 0 H GLY A 39 -4.591 2.552 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.606 1.295 10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.696 2.329 9.282 1.00 0.00 H new ATOM 523 N LYS A 40 -4.003 4.540 10.825 1.00 0.00 N ATOM 524 CA LYS A 40 -3.964 5.654 11.773 1.00 0.00 C ATOM 525 C LYS A 40 -5.063 5.694 12.843 1.00 0.00 C ATOM 526 O LYS A 40 -4.901 6.403 13.823 1.00 0.00 O ATOM 527 CB LYS A 40 -4.024 6.955 10.963 1.00 0.00 C ATOM 528 CG LYS A 40 -2.667 7.269 10.346 1.00 0.00 C ATOM 529 CD LYS A 40 -2.605 8.643 9.671 1.00 0.00 C ATOM 530 CE LYS A 40 -1.152 8.959 9.299 1.00 0.00 C ATOM 531 NZ LYS A 40 -1.033 10.280 8.649 1.00 0.00 N ATOM 0 H LYS A 40 -4.508 4.763 9.968 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.041 5.521 12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.774 6.866 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.334 7.777 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.904 7.220 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.424 6.501 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.231 8.651 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.996 9.408 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.533 8.937 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.771 8.188 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.037 10.461 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.604 10.292 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.374 11.018 9.298 1.00 0.00 H new ATOM 545 N CYS A 41 -6.223 5.060 12.655 1.00 0.00 N ATOM 546 CA CYS A 41 -7.304 5.083 13.648 1.00 0.00 C ATOM 547 C CYS A 41 -8.132 3.807 13.824 1.00 0.00 C ATOM 548 O CYS A 41 -9.063 3.813 14.628 1.00 0.00 O ATOM 549 CB CYS A 41 -8.305 6.147 13.250 1.00 0.00 C ATOM 550 SG CYS A 41 -9.463 5.648 11.959 1.00 0.00 S ATOM 0 H CYS A 41 -6.440 4.520 11.818 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.774 5.249 14.586 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.872 6.442 14.133 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.762 7.029 12.911 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.273 6.631 11.699 1.00 0.00 H new ATOM 555 N SER A 42 -7.935 2.787 12.990 1.00 0.00 N ATOM 556 CA SER A 42 -8.652 1.515 13.101 1.00 0.00 C ATOM 557 C SER A 42 -10.107 1.504 12.594 1.00 0.00 C ATOM 558 O SER A 42 -10.803 0.510 12.824 1.00 0.00 O ATOM 559 CB SER A 42 -8.479 0.922 14.511 1.00 0.00 C ATOM 560 OG SER A 42 -7.155 1.191 14.976 1.00 0.00 O ATOM 0 H SER A 42 -7.272 2.818 12.216 1.00 0.00 H new ATOM 0 HA SER A 42 -8.172 0.848 12.385 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.211 1.355 15.193 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.659 -0.153 14.491 1.00 0.00 H new ATOM 0 HG SER A 42 -7.041 0.816 15.874 1.00 0.00 H new ATOM 566 N VAL A 43 -10.581 2.547 11.903 1.00 0.00 N ATOM 567 CA VAL A 43 -11.939 2.558 11.346 1.00 0.00 C ATOM 568 C VAL A 43 -11.909 1.655 10.112 1.00 0.00 C ATOM 569 O VAL A 43 -10.922 1.718 9.362 1.00 0.00 O ATOM 570 CB VAL A 43 -12.419 3.978 10.971 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.776 4.564 9.697 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.931 4.040 10.744 1.00 0.00 C ATOM 0 H VAL A 43 -10.045 3.394 11.716 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.647 2.200 12.094 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.111 4.567 11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.174 5.562 9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.696 4.623 9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.003 3.922 8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.218 5.059 10.483 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.205 3.366 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.448 3.739 11.655 1.00 0.00 H new ATOM 582 N SER A 44 -12.959 0.873 9.873 1.00 0.00 N ATOM 583 CA SER A 44 -13.008 0.004 8.707 1.00 0.00 C ATOM 584 C SER A 44 -13.059 0.842 7.440 1.00 0.00 C ATOM 585 O SER A 44 -13.574 1.968 7.432 1.00 0.00 O ATOM 586 CB SER A 44 -14.216 -0.927 8.781 1.00 0.00 C ATOM 587 OG SER A 44 -14.137 -1.932 7.786 1.00 0.00 O ATOM 0 H SER A 44 -13.784 0.825 10.471 1.00 0.00 H new ATOM 0 HA SER A 44 -12.107 -0.610 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.266 -1.388 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.133 -0.352 8.652 1.00 0.00 H new ATOM 0 HG SER A 44 -13.196 -2.131 7.596 1.00 0.00 H new ATOM 593 N LEU A 45 -12.528 0.278 6.360 1.00 0.00 N ATOM 594 CA LEU A 45 -12.492 0.897 5.039 1.00 0.00 C ATOM 595 C LEU A 45 -13.275 0.070 4.013 1.00 0.00 C ATOM 596 O LEU A 45 -13.382 0.509 2.873 1.00 0.00 O ATOM 597 CB LEU A 45 -11.036 1.112 4.582 1.00 0.00 C ATOM 598 CG LEU A 45 -10.183 2.025 5.478 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.820 2.267 4.828 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.826 3.398 5.705 1.00 0.00 C ATOM 0 H LEU A 45 -12.099 -0.647 6.380 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.976 1.871 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.548 0.140 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.049 1.531 3.576 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.091 1.513 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.221 2.915 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.307 1.315 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.959 2.744 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.181 4.001 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.959 3.900 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.796 3.271 6.186 1.00 0.00 H new ATOM 612 N VAL A 46 -13.842 -1.076 4.398 1.00 0.00 N ATOM 613 CA VAL A 46 -14.597 -1.962 3.515 1.00 0.00 C ATOM 614 C VAL A 46 -15.764 -1.242 2.828 1.00 0.00 C ATOM 615 O VAL A 46 -15.815 -1.201 1.597 1.00 0.00 O ATOM 616 CB VAL A 46 -15.048 -3.211 4.302 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.841 -4.205 3.438 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.828 -3.946 4.876 1.00 0.00 C ATOM 0 H VAL A 46 -13.786 -1.420 5.357 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.944 -2.286 2.704 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.699 -2.850 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.132 -5.063 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.734 -3.717 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.220 -4.541 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.160 -4.825 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.173 -4.255 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.284 -3.280 5.546 1.00 0.00 H new ATOM 628 N GLY A 47 -16.689 -0.650 3.588 1.00 0.00 N ATOM 629 CA GLY A 47 -17.849 0.048 3.040 1.00 0.00 C ATOM 630 C GLY A 47 -17.523 1.410 2.434 1.00 0.00 C ATOM 631 O GLY A 47 -18.426 2.231 2.291 1.00 0.00 O ATOM 0 H GLY A 47 -16.651 -0.643 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.309 -0.578 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.588 0.181 3.831 1.00 0.00 H new ATOM 635 N LYS A 48 -16.256 1.707 2.129 1.00 0.00 N ATOM 636 CA LYS A 48 -15.829 2.983 1.576 1.00 0.00 C ATOM 637 C LYS A 48 -14.586 2.806 0.705 1.00 0.00 C ATOM 638 O LYS A 48 -14.225 1.694 0.316 1.00 0.00 O ATOM 639 CB LYS A 48 -15.633 3.975 2.744 1.00 0.00 C ATOM 640 CG LYS A 48 -14.616 3.522 3.801 1.00 0.00 C ATOM 641 CD LYS A 48 -14.616 4.443 5.029 1.00 0.00 C ATOM 642 CE LYS A 48 -15.872 4.305 5.901 1.00 0.00 C ATOM 643 NZ LYS A 48 -16.018 2.975 6.529 1.00 0.00 N ATOM 0 H LYS A 48 -15.488 1.050 2.265 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.588 3.395 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.313 4.935 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.595 4.139 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.846 2.503 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.619 3.504 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.737 4.226 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.526 5.477 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.846 5.065 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.752 4.507 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.565 3.065 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.514 2.335 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.077 2.588 6.744 1.00 0.00 H new ATOM 657 N GLY A 49 -13.959 3.924 0.356 1.00 0.00 N ATOM 658 CA GLY A 49 -12.757 3.977 -0.446 1.00 0.00 C ATOM 659 C GLY A 49 -11.561 4.118 0.470 1.00 0.00 C ATOM 660 O GLY A 49 -11.694 4.472 1.648 1.00 0.00 O ATOM 0 H GLY A 49 -14.291 4.847 0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.666 3.073 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.803 4.818 -1.138 1.00 0.00 H new ATOM 664 N PHE A 50 -10.379 3.878 -0.083 1.00 0.00 N ATOM 665 CA PHE A 50 -9.125 3.952 0.638 1.00 0.00 C ATOM 666 C PHE A 50 -8.053 4.576 -0.253 1.00 0.00 C ATOM 667 O PHE A 50 -8.316 4.865 -1.424 1.00 0.00 O ATOM 668 CB PHE A 50 -8.782 2.556 1.165 1.00 0.00 C ATOM 669 CG PHE A 50 -8.336 1.524 0.150 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.279 0.695 -0.485 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.964 1.326 -0.087 1.00 0.00 C ATOM 672 CE1 PHE A 50 -8.844 -0.327 -1.350 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.527 0.280 -0.911 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.469 -0.541 -1.555 1.00 0.00 C ATOM 0 H PHE A 50 -10.268 3.622 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.196 4.606 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.993 2.660 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.659 2.165 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.334 0.842 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.241 1.986 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.568 -0.948 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.470 0.105 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.137 -1.336 -2.207 1.00 0.00 H new ATOM 684 N LEU A 51 -6.887 4.874 0.323 1.00 0.00 N ATOM 685 CA LEU A 51 -5.754 5.480 -0.372 1.00 0.00 C ATOM 686 C LEU A 51 -4.493 4.665 -0.088 1.00 0.00 C ATOM 687 O LEU A 51 -4.473 3.888 0.869 1.00 0.00 O ATOM 688 CB LEU A 51 -5.543 6.931 0.088 1.00 0.00 C ATOM 689 CG LEU A 51 -6.511 7.964 -0.512 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.854 7.986 0.222 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.888 9.360 -0.415 1.00 0.00 C ATOM 0 H LEU A 51 -6.702 4.696 1.310 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.962 5.484 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.630 6.966 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.524 7.228 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.688 7.682 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.506 8.730 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.321 7.003 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.692 8.240 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.572 10.094 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.699 9.602 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.948 9.378 -0.967 1.00 0.00 H new ATOM 703 N THR A 52 -3.428 4.883 -0.860 1.00 0.00 N ATOM 704 CA THR A 52 -2.170 4.169 -0.695 1.00 0.00 C ATOM 705 C THR A 52 -0.999 5.146 -0.833 1.00 0.00 C ATOM 706 O THR A 52 -0.772 5.676 -1.928 1.00 0.00 O ATOM 707 CB THR A 52 -2.089 3.005 -1.713 1.00 0.00 C ATOM 708 OG1 THR A 52 -1.970 3.454 -3.054 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.303 2.076 -1.660 1.00 0.00 C ATOM 0 H THR A 52 -3.418 5.564 -1.620 1.00 0.00 H new ATOM 0 HA THR A 52 -2.115 3.733 0.302 1.00 0.00 H new ATOM 0 HB THR A 52 -1.192 2.463 -1.415 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.478 4.301 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.186 1.281 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.383 1.639 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.206 2.645 -1.881 1.00 0.00 H new ATOM 717 N GLN A 53 -0.272 5.417 0.250 1.00 0.00 N ATOM 718 CA GLN A 53 0.893 6.290 0.307 1.00 0.00 C ATOM 719 C GLN A 53 1.881 5.635 1.284 1.00 0.00 C ATOM 720 O GLN A 53 1.447 5.018 2.256 1.00 0.00 O ATOM 721 CB GLN A 53 0.463 7.686 0.768 1.00 0.00 C ATOM 722 CG GLN A 53 1.442 8.808 0.398 1.00 0.00 C ATOM 723 CD GLN A 53 1.127 9.460 -0.947 1.00 0.00 C ATOM 724 OE1 GLN A 53 0.392 10.446 -1.002 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.710 8.989 -2.034 1.00 0.00 N ATOM 0 H GLN A 53 -0.494 5.010 1.159 1.00 0.00 H new ATOM 0 HA GLN A 53 1.367 6.414 -0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.511 7.914 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.336 7.674 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.423 9.570 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.454 8.404 0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.317 8.171 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.554 9.443 -2.934 1.00 0.00 H new ATOM 734 N ASN A 54 3.191 5.806 1.072 1.00 0.00 N ATOM 735 CA ASN A 54 4.303 5.259 1.877 1.00 0.00 C ATOM 736 C ASN A 54 4.112 3.782 2.208 1.00 0.00 C ATOM 737 O ASN A 54 4.487 3.314 3.277 1.00 0.00 O ATOM 738 CB ASN A 54 4.563 6.097 3.135 1.00 0.00 C ATOM 739 CG ASN A 54 5.113 7.446 2.749 1.00 0.00 C ATOM 740 OD1 ASN A 54 6.318 7.623 2.596 1.00 0.00 O ATOM 741 ND2 ASN A 54 4.246 8.406 2.505 1.00 0.00 N ATOM 0 H ASN A 54 3.530 6.363 0.287 1.00 0.00 H new ATOM 0 HA ASN A 54 5.196 5.324 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.638 6.220 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.267 5.581 3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.571 9.317 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.249 8.239 2.638 1.00 0.00 H new ATOM 748 N LYS A 55 3.503 3.049 1.278 1.00 0.00 N ATOM 749 CA LYS A 55 3.191 1.624 1.382 1.00 0.00 C ATOM 750 C LYS A 55 2.271 1.294 2.571 1.00 0.00 C ATOM 751 O LYS A 55 2.033 0.119 2.863 1.00 0.00 O ATOM 752 CB LYS A 55 4.471 0.780 1.280 1.00 0.00 C ATOM 753 CG LYS A 55 5.048 0.845 -0.149 1.00 0.00 C ATOM 754 CD LYS A 55 6.116 -0.224 -0.401 1.00 0.00 C ATOM 755 CE LYS A 55 5.539 -1.645 -0.375 1.00 0.00 C ATOM 756 NZ LYS A 55 4.872 -2.011 -1.640 1.00 0.00 N ATOM 0 H LYS A 55 3.200 3.450 0.391 1.00 0.00 H new ATOM 0 HA LYS A 55 2.584 1.339 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.211 1.142 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.253 -0.255 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.239 0.723 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.479 1.832 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.586 -0.043 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.897 -0.138 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.341 -2.355 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.826 -1.728 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.500 -2.980 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.088 -1.352 -1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.557 -1.959 -2.421 1.00 0.00 H new ATOM 770 N GLU A 56 1.708 2.304 3.226 1.00 0.00 N ATOM 771 CA GLU A 56 0.791 2.209 4.347 1.00 0.00 C ATOM 772 C GLU A 56 -0.636 2.237 3.779 1.00 0.00 C ATOM 773 O GLU A 56 -0.841 2.242 2.557 1.00 0.00 O ATOM 774 CB GLU A 56 1.064 3.367 5.324 1.00 0.00 C ATOM 775 CG GLU A 56 2.327 3.148 6.169 1.00 0.00 C ATOM 776 CD GLU A 56 2.200 1.923 7.075 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.206 1.849 7.841 1.00 0.00 O ATOM 778 OE2 GLU A 56 3.087 1.045 7.050 1.00 0.00 O ATOM 0 H GLU A 56 1.895 3.273 2.968 1.00 0.00 H new ATOM 0 HA GLU A 56 0.924 1.284 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.166 4.295 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.206 3.488 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.187 3.026 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.515 4.032 6.778 1.00 0.00 H new ATOM 785 N ILE A 57 -1.638 2.293 4.655 1.00 0.00 N ATOM 786 CA ILE A 57 -3.060 2.302 4.333 1.00 0.00 C ATOM 787 C ILE A 57 -3.772 3.368 5.189 1.00 0.00 C ATOM 788 O ILE A 57 -3.637 3.398 6.420 1.00 0.00 O ATOM 789 CB ILE A 57 -3.605 0.863 4.496 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.335 0.301 5.918 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.019 -0.064 3.417 1.00 0.00 C ATOM 792 CD1 ILE A 57 -3.967 -1.063 6.156 1.00 0.00 C ATOM 0 H ILE A 57 -1.469 2.335 5.660 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.249 2.589 3.299 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.686 0.904 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.259 0.227 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.717 1.005 6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.414 -1.071 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.294 0.307 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.933 -0.086 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.740 -1.398 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.047 -0.990 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.567 -1.780 5.439 1.00 0.00 H new ATOM 804 N PHE A 58 -4.477 4.314 4.554 1.00 0.00 N ATOM 805 CA PHE A 58 -5.176 5.393 5.240 1.00 0.00 C ATOM 806 C PHE A 58 -6.593 5.653 4.720 1.00 0.00 C ATOM 807 O PHE A 58 -6.899 5.504 3.536 1.00 0.00 O ATOM 808 CB PHE A 58 -4.358 6.696 5.140 1.00 0.00 C ATOM 809 CG PHE A 58 -2.904 6.592 5.573 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.577 6.152 6.867 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.868 6.879 4.664 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.234 5.987 7.236 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.524 6.706 5.032 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.205 6.275 6.327 1.00 0.00 C ATOM 0 H PHE A 58 -4.575 4.346 3.539 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.277 5.068 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.387 7.044 4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.846 7.458 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.361 5.941 7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.109 7.236 3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.990 5.635 8.228 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.262 6.905 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.828 6.165 6.624 1.00 0.00 H new ATOM 824 N CYS A 59 -7.457 6.085 5.649 1.00 0.00 N ATOM 825 CA CYS A 59 -8.846 6.451 5.381 1.00 0.00 C ATOM 826 C CYS A 59 -8.791 7.739 4.542 1.00 0.00 C ATOM 827 O CYS A 59 -7.832 8.501 4.721 1.00 0.00 O ATOM 828 CB CYS A 59 -9.638 6.711 6.703 1.00 0.00 C ATOM 829 SG CYS A 59 -9.586 8.394 7.329 1.00 0.00 S ATOM 0 H CYS A 59 -7.199 6.191 6.630 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.361 5.643 4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.680 6.436 6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.250 6.045 7.474 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.282 8.471 8.424 1.00 0.00 H new ATOM 834 N GLN A 60 -9.809 8.057 3.746 1.00 0.00 N ATOM 835 CA GLN A 60 -9.861 9.268 2.917 1.00 0.00 C ATOM 836 C GLN A 60 -9.558 10.505 3.766 1.00 0.00 C ATOM 837 O GLN A 60 -8.604 11.229 3.489 1.00 0.00 O ATOM 838 CB GLN A 60 -11.220 9.366 2.205 1.00 0.00 C ATOM 839 CG GLN A 60 -11.333 8.391 1.015 1.00 0.00 C ATOM 840 CD GLN A 60 -12.785 8.119 0.617 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.610 7.765 1.464 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.142 8.269 -0.647 1.00 0.00 N ATOM 0 H GLN A 60 -10.639 7.471 3.654 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.094 9.212 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.017 9.157 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.369 10.386 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.796 8.802 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.848 7.450 1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.453 8.562 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.106 8.092 -0.929 1.00 0.00 H new ATOM 851 N LYS A 61 -10.275 10.680 4.880 1.00 0.00 N ATOM 852 CA LYS A 61 -10.096 11.816 5.789 1.00 0.00 C ATOM 853 C LYS A 61 -8.663 11.951 6.326 1.00 0.00 C ATOM 854 O LYS A 61 -8.266 13.033 6.739 1.00 0.00 O ATOM 855 CB LYS A 61 -11.134 11.658 6.908 1.00 0.00 C ATOM 856 CG LYS A 61 -11.343 12.885 7.794 1.00 0.00 C ATOM 857 CD LYS A 61 -12.459 12.587 8.810 1.00 0.00 C ATOM 858 CE LYS A 61 -12.583 13.729 9.817 1.00 0.00 C ATOM 859 NZ LYS A 61 -13.603 14.733 9.452 1.00 0.00 N ATOM 0 H LYS A 61 -11.003 10.031 5.179 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.254 12.749 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.090 11.391 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.835 10.822 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.418 13.136 8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.610 13.748 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.406 12.449 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.244 11.655 9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.827 13.315 10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.617 14.224 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.633 15.477 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.361 15.155 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.534 14.274 9.388 1.00 0.00 H new ATOM 873 N CYS A 62 -7.905 10.851 6.389 1.00 0.00 N ATOM 874 CA CYS A 62 -6.518 10.796 6.860 1.00 0.00 C ATOM 875 C CYS A 62 -5.479 10.827 5.742 1.00 0.00 C ATOM 876 O CYS A 62 -4.318 11.114 6.026 1.00 0.00 O ATOM 877 CB CYS A 62 -6.288 9.621 7.832 1.00 0.00 C ATOM 878 SG CYS A 62 -6.810 10.188 9.433 1.00 0.00 S ATOM 0 H CYS A 62 -8.256 9.938 6.101 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.365 11.721 7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.859 8.745 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.238 9.328 7.847 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.644 9.238 10.305 1.00 0.00 H new ATOM 883 N GLY A 63 -5.869 10.530 4.503 1.00 0.00 N ATOM 884 CA GLY A 63 -4.989 10.548 3.346 1.00 0.00 C ATOM 885 C GLY A 63 -5.006 11.931 2.685 1.00 0.00 C ATOM 886 O GLY A 63 -4.254 12.168 1.744 1.00 0.00 O ATOM 0 H GLY A 63 -6.827 10.265 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.973 10.295 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.305 9.791 2.629 1.00 0.00 H new ATOM 890 N SER A 64 -5.871 12.826 3.171 1.00 0.00 N ATOM 891 CA SER A 64 -6.069 14.200 2.747 1.00 0.00 C ATOM 892 C SER A 64 -4.722 14.906 2.960 1.00 0.00 C ATOM 893 O SER A 64 -4.282 15.029 4.104 1.00 0.00 O ATOM 894 CB SER A 64 -7.206 14.763 3.628 1.00 0.00 C ATOM 895 OG SER A 64 -7.902 15.854 3.064 1.00 0.00 O ATOM 0 H SER A 64 -6.500 12.579 3.935 1.00 0.00 H new ATOM 0 HA SER A 64 -6.358 14.328 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.917 13.963 3.835 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.787 15.072 4.585 1.00 0.00 H new ATOM 0 HG SER A 64 -8.604 16.149 3.681 1.00 0.00 H new ATOM 901 N GLY A 65 -4.039 15.309 1.887 1.00 0.00 N ATOM 902 CA GLY A 65 -2.747 15.981 1.978 1.00 0.00 C ATOM 903 C GLY A 65 -2.955 17.477 2.165 1.00 0.00 C ATOM 904 O GLY A 65 -2.807 18.010 3.266 1.00 0.00 O ATOM 0 H GLY A 65 -4.369 15.177 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.175 15.577 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.166 15.796 1.075 1.00 0.00 H new ATOM 908 N MET A 66 -3.286 18.152 1.070 1.00 0.00 N ATOM 909 CA MET A 66 -3.547 19.580 0.995 1.00 0.00 C ATOM 910 C MET A 66 -4.378 19.851 -0.257 1.00 0.00 C ATOM 911 O MET A 66 -4.481 18.985 -1.133 1.00 0.00 O ATOM 912 CB MET A 66 -2.217 20.354 0.927 1.00 0.00 C ATOM 913 CG MET A 66 -1.283 19.929 -0.215 1.00 0.00 C ATOM 914 SD MET A 66 0.280 20.845 -0.242 1.00 0.00 S ATOM 915 CE MET A 66 1.046 20.097 -1.698 1.00 0.00 C ATOM 0 H MET A 66 -3.384 17.692 0.165 1.00 0.00 H new ATOM 0 HA MET A 66 -4.091 19.910 1.880 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.436 21.417 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.691 20.229 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.070 18.864 -0.124 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.796 20.071 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.025 20.546 -1.865 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.161 19.025 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.415 20.268 -2.570 1.00 0.00 H new ATOM 925 N ASP A 67 -4.962 21.041 -0.353 1.00 0.00 N ATOM 926 CA ASP A 67 -5.768 21.493 -1.493 1.00 0.00 C ATOM 927 C ASP A 67 -5.060 22.686 -2.157 1.00 0.00 C ATOM 928 O ASP A 67 -5.501 23.211 -3.177 1.00 0.00 O ATOM 929 CB ASP A 67 -7.200 21.813 -1.033 1.00 0.00 C ATOM 930 CG ASP A 67 -8.094 22.256 -2.190 1.00 0.00 C ATOM 931 OD1 ASP A 67 -8.423 21.401 -3.039 1.00 0.00 O ATOM 932 OD2 ASP A 67 -8.492 23.441 -2.233 1.00 0.00 O ATOM 0 H ASP A 67 -4.888 21.744 0.382 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.859 20.707 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.633 20.932 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.170 22.599 -0.278 1.00 0.00 H new ATOM 937 N THR A 68 -3.892 23.084 -1.632 1.00 0.00 N ATOM 938 CA THR A 68 -3.051 24.197 -2.079 1.00 0.00 C ATOM 939 C THR A 68 -3.754 25.564 -1.986 1.00 0.00 C ATOM 940 O THR A 68 -3.266 26.564 -2.515 1.00 0.00 O ATOM 941 CB THR A 68 -2.329 23.885 -3.410 1.00 0.00 C ATOM 942 OG1 THR A 68 -3.112 23.149 -4.336 1.00 0.00 O ATOM 943 CG2 THR A 68 -1.082 23.034 -3.153 1.00 0.00 C ATOM 0 H THR A 68 -3.485 22.603 -0.830 1.00 0.00 H new ATOM 0 HA THR A 68 -2.236 24.304 -1.363 1.00 0.00 H new ATOM 0 HB THR A 68 -2.099 24.864 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.054 23.405 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.584 22.823 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.400 23.576 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.373 22.097 -2.679 1.00 0.00 H new ATOM 951 N ASP A 69 -4.917 25.614 -1.339 1.00 0.00 N ATOM 952 CA ASP A 69 -5.707 26.814 -1.105 1.00 0.00 C ATOM 953 C ASP A 69 -5.276 27.305 0.274 1.00 0.00 C ATOM 954 O ASP A 69 -5.132 26.490 1.192 1.00 0.00 O ATOM 955 CB ASP A 69 -7.203 26.487 -1.130 1.00 0.00 C ATOM 956 CG ASP A 69 -8.075 27.691 -0.762 1.00 0.00 C ATOM 957 OD1 ASP A 69 -7.590 28.845 -0.877 1.00 0.00 O ATOM 958 OD2 ASP A 69 -9.247 27.467 -0.383 1.00 0.00 O ATOM 0 H ASP A 69 -5.351 24.779 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.547 27.571 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.478 26.135 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.405 25.671 -0.436 1.00 0.00 H new ATOM 963 N ILE A 70 -5.002 28.599 0.417 1.00 0.00 N ATOM 964 CA ILE A 70 -4.567 29.228 1.665 1.00 0.00 C ATOM 965 C ILE A 70 -5.574 30.329 2.060 1.00 0.00 C ATOM 966 O ILE A 70 -5.321 31.122 2.970 1.00 0.00 O ATOM 967 CB ILE A 70 -3.077 29.683 1.576 1.00 0.00 C ATOM 968 CG1 ILE A 70 -2.199 28.739 0.707 1.00 0.00 C ATOM 969 CG2 ILE A 70 -2.462 29.765 2.990 1.00 0.00 C ATOM 970 CD1 ILE A 70 -0.725 29.144 0.579 1.00 0.00 C ATOM 0 H ILE A 70 -5.078 29.261 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.574 28.508 2.483 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.086 30.662 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.247 27.735 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.632 28.686 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.422 30.083 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.020 30.485 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.509 28.785 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.202 28.421 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.657 30.132 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.267 29.167 1.568 1.00 0.00 H new ATOM 982 N SER A 71 -6.709 30.423 1.361 1.00 0.00 N ATOM 983 CA SER A 71 -7.749 31.397 1.649 1.00 0.00 C ATOM 984 C SER A 71 -8.332 31.076 3.029 1.00 0.00 C ATOM 985 O SER A 71 -8.302 29.914 3.438 1.00 0.00 O ATOM 986 CB SER A 71 -8.838 31.314 0.571 1.00 0.00 C ATOM 987 OG SER A 71 -8.261 31.370 -0.718 1.00 0.00 O ATOM 0 H SER A 71 -6.927 29.815 0.572 1.00 0.00 H new ATOM 0 HA SER A 71 -7.343 32.409 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.401 30.388 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.545 32.134 0.696 1.00 0.00 H new ATOM 0 HG SER A 71 -7.948 30.478 -0.975 1.00 0.00 H new ATOM 993 N GLY A 72 -8.858 32.103 3.716 1.00 0.00 N ATOM 994 CA GLY A 72 -9.481 32.090 5.046 1.00 0.00 C ATOM 995 C GLY A 72 -9.567 30.703 5.692 1.00 0.00 C ATOM 996 O GLY A 72 -10.634 30.097 5.603 1.00 0.00 O ATOM 0 H GLY A 72 -8.857 33.043 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.916 32.750 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.486 32.503 4.967 1.00 0.00 H new ATOM 1000 N PRO A 73 -8.494 30.207 6.343 1.00 0.00 N ATOM 1001 CA PRO A 73 -8.476 28.890 6.962 1.00 0.00 C ATOM 1002 C PRO A 73 -9.586 28.762 7.999 1.00 0.00 C ATOM 1003 O PRO A 73 -9.518 29.370 9.073 1.00 0.00 O ATOM 1004 CB PRO A 73 -7.067 28.692 7.532 1.00 0.00 C ATOM 1005 CG PRO A 73 -6.519 30.112 7.656 1.00 0.00 C ATOM 1006 CD PRO A 73 -7.198 30.850 6.504 1.00 0.00 C ATOM 0 HA PRO A 73 -8.681 28.097 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.094 28.188 8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.451 28.082 6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.766 30.556 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.433 30.134 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.311 31.910 6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.608 30.779 5.590 1.00 0.00 H new ATOM 1014 N SER A 74 -10.601 27.974 7.662 1.00 0.00 N ATOM 1015 CA SER A 74 -11.771 27.696 8.471 1.00 0.00 C ATOM 1016 C SER A 74 -11.894 26.177 8.632 1.00 0.00 C ATOM 1017 O SER A 74 -10.949 25.437 8.347 1.00 0.00 O ATOM 1018 CB SER A 74 -12.980 28.395 7.828 1.00 0.00 C ATOM 1019 OG SER A 74 -14.092 28.459 8.704 1.00 0.00 O ATOM 0 H SER A 74 -10.626 27.487 6.766 1.00 0.00 H new ATOM 0 HA SER A 74 -11.702 28.096 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.697 29.404 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.265 27.862 6.921 1.00 0.00 H new ATOM 0 HG SER A 74 -14.836 28.912 8.255 1.00 0.00 H new ATOM 1025 N SER A 75 -13.033 25.716 9.137 1.00 0.00 N ATOM 1026 CA SER A 75 -13.325 24.314 9.383 1.00 0.00 C ATOM 1027 C SER A 75 -14.699 23.950 8.825 1.00 0.00 C ATOM 1028 O SER A 75 -15.329 24.747 8.121 1.00 0.00 O ATOM 1029 CB SER A 75 -13.206 24.077 10.893 1.00 0.00 C ATOM 1030 OG SER A 75 -14.070 24.936 11.611 1.00 0.00 O ATOM 0 H SER A 75 -13.804 26.333 9.394 1.00 0.00 H new ATOM 0 HA SER A 75 -12.617 23.663 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.447 23.039 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.177 24.243 11.211 1.00 0.00 H new ATOM 0 HG SER A 75 -13.977 24.765 12.571 1.00 0.00 H new ATOM 1036 N GLY A 76 -15.167 22.741 9.116 1.00 0.00 N ATOM 1037 CA GLY A 76 -16.455 22.233 8.691 1.00 0.00 C ATOM 1038 C GLY A 76 -16.947 21.353 9.800 1.00 0.00 C ATOM 1039 O GLY A 76 -17.635 21.866 10.703 1.00 0.00 O ATOM 0 H GLY A 76 -14.638 22.070 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.152 23.049 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.364 21.672 7.761 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.983 -11.055 11.337 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.405 7.633 9.979 1.00 0.00 ZN