USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 26 THR OG1 : rot 18:sc= -0.0641 USER MOD Set 1.2: A 75 MET CE :methyl -146:sc= -3.85 (180deg=-5.47!) 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 6:sc= 0.394! USER MOD Single : A 6 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 52:sc= 0.595 USER MOD Single : A 18 SER OG : rot -12:sc= 0.324! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.257 K(o=-0.26,f=-2.2!) USER MOD Single : A 22 TYR OH : rot -156:sc= -0.114 USER MOD Single : A 24 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.57) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc=-0.00407 (180deg=-0.123) USER MOD Single : A 37 SER OG : rot -16:sc= 0.832 USER MOD Single : A 41 ASN : amide:sc= -0.583 K(o=-0.58,f=-1.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 44 TYR OH : rot -15:sc= -0.593 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 1.17 K(o=1.2,f=-0.091) USER MOD Single : A 56 GLN : amide:sc= -3.09 K(o=-3.1,f=-2.1) USER MOD Single : A 57 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-3.7!) USER MOD Single : A 58 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.18) USER MOD Single : A 60 ASN : amide:sc=-0.00306 X(o=-0.0031,f=-0.0031) USER MOD Single : A 61 GLN : amide:sc= -6.17! C(o=-6.2!,f=-6.3!) USER MOD Single : A 63 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.293 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -89:sc= -0.322 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0369) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 39:sc= 0.615 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.517 19.934 13.111 1.00 0.00 N ATOM 2 CA GLY A 1 1.697 20.808 11.967 1.00 0.00 C ATOM 3 C GLY A 1 0.902 22.093 12.088 1.00 0.00 C ATOM 4 O GLY A 1 1.475 23.179 12.175 1.00 0.00 O ATOM 0 H1 GLY A 1 2.081 19.070 12.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.829 20.423 13.974 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.512 19.681 13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.755 21.048 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.396 20.282 11.061 1.00 0.00 H new ATOM 8 N SER A 2 -0.421 21.970 12.093 1.00 0.00 N ATOM 9 CA SER A 2 -1.296 23.132 12.199 1.00 0.00 C ATOM 10 C SER A 2 -1.191 24.006 10.953 1.00 0.00 C ATOM 11 O SER A 2 -1.101 25.230 11.047 1.00 0.00 O ATOM 12 CB SER A 2 -0.944 23.950 13.442 1.00 0.00 C ATOM 13 OG SER A 2 -0.903 23.131 14.598 1.00 0.00 O ATOM 0 H SER A 2 -0.911 21.078 12.025 1.00 0.00 H new ATOM 0 HA SER A 2 -2.323 22.777 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.023 24.434 13.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.680 24.742 13.580 1.00 0.00 H new ATOM 0 HG SER A 2 -0.674 23.678 15.378 1.00 0.00 H new ATOM 19 N SER A 3 -1.204 23.369 9.787 1.00 0.00 N ATOM 20 CA SER A 3 -1.107 24.087 8.522 1.00 0.00 C ATOM 21 C SER A 3 -2.438 24.057 7.777 1.00 0.00 C ATOM 22 O SER A 3 -3.386 23.399 8.202 1.00 0.00 O ATOM 23 CB SER A 3 -0.007 23.479 7.649 1.00 0.00 C ATOM 24 OG SER A 3 -0.307 22.135 7.314 1.00 0.00 O ATOM 0 H SER A 3 -1.281 22.356 9.692 1.00 0.00 H new ATOM 0 HA SER A 3 -0.856 25.125 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.106 24.068 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.946 23.522 8.177 1.00 0.00 H new ATOM 0 HG SER A 3 0.410 21.769 6.755 1.00 0.00 H new ATOM 30 N GLY A 4 -2.500 24.778 6.660 1.00 0.00 N ATOM 31 CA GLY A 4 -3.718 24.821 5.873 1.00 0.00 C ATOM 32 C GLY A 4 -3.877 23.605 4.982 1.00 0.00 C ATOM 33 O GLY A 4 -3.873 23.721 3.756 1.00 0.00 O ATOM 0 H GLY A 4 -1.729 25.332 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.576 24.892 6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.718 25.721 5.258 1.00 0.00 H new ATOM 37 N SER A 5 -4.015 22.436 5.598 1.00 0.00 N ATOM 38 CA SER A 5 -4.170 21.192 4.853 1.00 0.00 C ATOM 39 C SER A 5 -5.420 21.235 3.979 1.00 0.00 C ATOM 40 O SER A 5 -6.529 21.443 4.473 1.00 0.00 O ATOM 41 CB SER A 5 -4.244 20.003 5.812 1.00 0.00 C ATOM 42 OG SER A 5 -5.529 19.903 6.401 1.00 0.00 O ATOM 0 H SER A 5 -4.023 22.324 6.612 1.00 0.00 H new ATOM 0 HA SER A 5 -3.300 21.073 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.014 19.083 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.490 20.113 6.592 1.00 0.00 H new ATOM 0 HG SER A 5 -6.129 20.560 5.990 1.00 0.00 H new ATOM 48 N SER A 6 -5.233 21.036 2.679 1.00 0.00 N ATOM 49 CA SER A 6 -6.344 21.054 1.735 1.00 0.00 C ATOM 50 C SER A 6 -7.047 19.701 1.696 1.00 0.00 C ATOM 51 O SER A 6 -8.271 19.622 1.794 1.00 0.00 O ATOM 52 CB SER A 6 -5.846 21.423 0.336 1.00 0.00 C ATOM 53 OG SER A 6 -4.808 20.554 -0.082 1.00 0.00 O ATOM 0 H SER A 6 -4.322 20.860 2.255 1.00 0.00 H new ATOM 0 HA SER A 6 -7.059 21.806 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.673 21.374 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.486 22.452 0.335 1.00 0.00 H new ATOM 0 HG SER A 6 -4.509 20.810 -0.979 1.00 0.00 H new ATOM 59 N GLY A 7 -6.263 18.637 1.553 1.00 0.00 N ATOM 60 CA GLY A 7 -6.826 17.301 1.504 1.00 0.00 C ATOM 61 C GLY A 7 -6.196 16.368 2.519 1.00 0.00 C ATOM 62 O GLY A 7 -5.219 16.725 3.177 1.00 0.00 O ATOM 0 H GLY A 7 -5.247 18.677 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.900 17.356 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.690 16.890 0.504 1.00 0.00 H new ATOM 66 N ILE A 8 -6.758 15.171 2.648 1.00 0.00 N ATOM 67 CA ILE A 8 -6.245 14.185 3.591 1.00 0.00 C ATOM 68 C ILE A 8 -5.017 13.475 3.030 1.00 0.00 C ATOM 69 O ILE A 8 -4.844 13.381 1.816 1.00 0.00 O ATOM 70 CB ILE A 8 -7.314 13.135 3.945 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.660 13.814 4.208 1.00 0.00 C ATOM 72 CG2 ILE A 8 -6.879 12.323 5.156 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.819 12.846 4.291 1.00 0.00 C ATOM 0 H ILE A 8 -7.568 14.861 2.112 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.967 14.727 4.495 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.429 12.457 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.599 14.375 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.855 14.535 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.645 11.585 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.941 11.814 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.739 12.988 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.740 13.397 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.907 12.302 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.646 12.140 5.103 1.00 0.00 H new ATOM 85 N GLU A 9 -4.170 12.975 3.924 1.00 0.00 N ATOM 86 CA GLU A 9 -2.959 12.272 3.517 1.00 0.00 C ATOM 87 C GLU A 9 -3.079 10.776 3.793 1.00 0.00 C ATOM 88 O GLU A 9 -3.921 10.344 4.581 1.00 0.00 O ATOM 89 CB GLU A 9 -1.742 12.840 4.251 1.00 0.00 C ATOM 90 CG GLU A 9 -1.197 14.114 3.629 1.00 0.00 C ATOM 91 CD GLU A 9 -0.165 14.797 4.505 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.525 15.223 5.623 1.00 0.00 O ATOM 93 OE2 GLU A 9 1.002 14.905 4.075 1.00 0.00 O ATOM 0 H GLU A 9 -4.300 13.043 4.933 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.829 12.417 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.014 13.039 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.954 12.087 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.750 13.880 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.021 14.803 3.440 1.00 0.00 H new ATOM 100 N CYS A 10 -2.232 9.989 3.138 1.00 0.00 N ATOM 101 CA CYS A 10 -2.243 8.541 3.310 1.00 0.00 C ATOM 102 C CYS A 10 -1.584 8.145 4.629 1.00 0.00 C ATOM 103 O CYS A 10 -0.413 8.441 4.864 1.00 0.00 O ATOM 104 CB CYS A 10 -1.522 7.863 2.144 1.00 0.00 C ATOM 105 SG CYS A 10 -1.561 6.042 2.204 1.00 0.00 S ATOM 0 H CYS A 10 -1.529 10.330 2.483 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.281 8.210 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.974 8.195 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.483 8.193 2.131 1.00 0.00 H new ATOM 110 N VAL A 11 -2.347 7.474 5.486 1.00 0.00 N ATOM 111 CA VAL A 11 -1.838 7.036 6.781 1.00 0.00 C ATOM 112 C VAL A 11 -0.810 5.922 6.619 1.00 0.00 C ATOM 113 O VAL A 11 -0.295 5.390 7.602 1.00 0.00 O ATOM 114 CB VAL A 11 -2.976 6.541 7.693 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.906 7.689 8.057 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.745 5.414 7.021 1.00 0.00 C ATOM 0 H VAL A 11 -3.319 7.222 5.307 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.362 7.901 7.243 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.539 6.153 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.704 7.320 8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.343 8.461 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.338 8.109 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.545 5.076 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.173 5.773 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.069 4.584 6.816 1.00 0.00 H new ATOM 126 N VAL A 12 -0.516 5.572 5.370 1.00 0.00 N ATOM 127 CA VAL A 12 0.452 4.522 5.078 1.00 0.00 C ATOM 128 C VAL A 12 1.755 5.107 4.545 1.00 0.00 C ATOM 129 O VAL A 12 2.827 4.878 5.106 1.00 0.00 O ATOM 130 CB VAL A 12 -0.104 3.516 4.053 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.890 2.389 3.817 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.444 2.967 4.518 1.00 0.00 C ATOM 0 H VAL A 12 -0.935 6.001 4.545 1.00 0.00 H new ATOM 0 HA VAL A 12 0.648 4.003 6.016 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.259 4.036 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.480 1.688 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.824 2.802 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.079 1.868 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.822 2.258 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.318 2.463 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.154 3.787 4.630 1.00 0.00 H new ATOM 142 N CYS A 13 1.655 5.866 3.459 1.00 0.00 N ATOM 143 CA CYS A 13 2.825 6.486 2.848 1.00 0.00 C ATOM 144 C CYS A 13 2.766 8.005 2.980 1.00 0.00 C ATOM 145 O CYS A 13 3.766 8.695 2.782 1.00 0.00 O ATOM 146 CB CYS A 13 2.924 6.094 1.373 1.00 0.00 C ATOM 147 SG CYS A 13 1.503 6.626 0.365 1.00 0.00 S ATOM 0 H CYS A 13 0.775 6.067 2.984 1.00 0.00 H new ATOM 0 HA CYS A 13 3.711 6.128 3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.834 6.524 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.021 5.011 1.302 1.00 0.00 H new ATOM 152 N GLY A 14 1.587 8.520 3.315 1.00 0.00 N ATOM 153 CA GLY A 14 1.420 9.953 3.468 1.00 0.00 C ATOM 154 C GLY A 14 0.827 10.602 2.233 1.00 0.00 C ATOM 155 O GLY A 14 0.331 11.727 2.292 1.00 0.00 O ATOM 0 H GLY A 14 0.745 7.970 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.775 10.151 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.387 10.407 3.685 1.00 0.00 H new ATOM 159 N ASP A 15 0.880 9.893 1.111 1.00 0.00 N ATOM 160 CA ASP A 15 0.345 10.407 -0.145 1.00 0.00 C ATOM 161 C ASP A 15 -1.079 10.921 0.041 1.00 0.00 C ATOM 162 O ASP A 15 -1.885 10.309 0.743 1.00 0.00 O ATOM 163 CB ASP A 15 0.371 9.318 -1.219 1.00 0.00 C ATOM 164 CG ASP A 15 0.029 9.855 -2.595 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.571 10.916 -2.971 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.780 9.213 -3.297 1.00 0.00 O ATOM 0 H ASP A 15 1.288 8.960 1.045 1.00 0.00 H new ATOM 0 HA ASP A 15 0.973 11.238 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.360 8.861 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.336 8.532 -0.953 1.00 0.00 H new ATOM 171 N LYS A 16 -1.383 12.049 -0.591 1.00 0.00 N ATOM 172 CA LYS A 16 -2.710 12.646 -0.496 1.00 0.00 C ATOM 173 C LYS A 16 -3.796 11.595 -0.703 1.00 0.00 C ATOM 174 O LYS A 16 -4.054 11.170 -1.829 1.00 0.00 O ATOM 175 CB LYS A 16 -2.864 13.764 -1.530 1.00 0.00 C ATOM 176 CG LYS A 16 -3.944 14.772 -1.180 1.00 0.00 C ATOM 177 CD LYS A 16 -3.501 15.699 -0.060 1.00 0.00 C ATOM 178 CE LYS A 16 -2.632 16.831 -0.584 1.00 0.00 C ATOM 179 NZ LYS A 16 -1.892 17.516 0.512 1.00 0.00 N ATOM 0 H LYS A 16 -0.728 12.569 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.821 13.066 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.912 14.285 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.092 13.322 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.194 15.360 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.851 14.246 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.377 16.113 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.948 15.130 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.922 16.437 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.256 17.555 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.311 18.281 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.570 17.914 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.277 16.831 0.997 1.00 0.00 H new ATOM 193 N SER A 17 -4.430 11.182 0.390 1.00 0.00 N ATOM 194 CA SER A 17 -5.486 10.179 0.328 1.00 0.00 C ATOM 195 C SER A 17 -6.597 10.619 -0.621 1.00 0.00 C ATOM 196 O SER A 17 -6.894 11.807 -0.739 1.00 0.00 O ATOM 197 CB SER A 17 -6.062 9.927 1.723 1.00 0.00 C ATOM 198 OG SER A 17 -7.284 9.214 1.649 1.00 0.00 O ATOM 0 H SER A 17 -4.230 11.527 1.329 1.00 0.00 H new ATOM 0 HA SER A 17 -5.053 9.253 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.344 9.364 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.222 10.878 2.231 1.00 0.00 H new ATOM 0 HG SER A 17 -7.160 8.407 1.107 1.00 0.00 H new ATOM 204 N SER A 18 -7.207 9.650 -1.296 1.00 0.00 N ATOM 205 CA SER A 18 -8.283 9.936 -2.238 1.00 0.00 C ATOM 206 C SER A 18 -9.642 9.865 -1.549 1.00 0.00 C ATOM 207 O SER A 18 -10.653 10.303 -2.097 1.00 0.00 O ATOM 208 CB SER A 18 -8.240 8.950 -3.408 1.00 0.00 C ATOM 209 OG SER A 18 -9.428 9.021 -4.178 1.00 0.00 O ATOM 0 H SER A 18 -6.975 8.661 -1.208 1.00 0.00 H new ATOM 0 HA SER A 18 -8.140 10.948 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.379 9.168 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.108 7.936 -3.029 1.00 0.00 H new ATOM 0 HG SER A 18 -10.103 9.539 -3.692 1.00 0.00 H new ATOM 215 N GLY A 19 -9.658 9.309 -0.341 1.00 0.00 N ATOM 216 CA GLY A 19 -10.897 9.191 0.405 1.00 0.00 C ATOM 217 C GLY A 19 -10.814 8.153 1.507 1.00 0.00 C ATOM 218 O GLY A 19 -9.738 7.629 1.797 1.00 0.00 O ATOM 0 H GLY A 19 -8.835 8.938 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.149 10.158 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.705 8.928 -0.278 1.00 0.00 H new ATOM 222 N LYS A 20 -11.952 7.854 2.124 1.00 0.00 N ATOM 223 CA LYS A 20 -12.004 6.872 3.200 1.00 0.00 C ATOM 224 C LYS A 20 -12.172 5.462 2.643 1.00 0.00 C ATOM 225 O LYS A 20 -13.287 4.946 2.558 1.00 0.00 O ATOM 226 CB LYS A 20 -13.155 7.194 4.156 1.00 0.00 C ATOM 227 CG LYS A 20 -13.257 6.236 5.330 1.00 0.00 C ATOM 228 CD LYS A 20 -14.008 6.859 6.495 1.00 0.00 C ATOM 229 CE LYS A 20 -13.126 7.823 7.275 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.612 8.015 8.669 1.00 0.00 N ATOM 0 H LYS A 20 -12.851 8.278 1.897 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.062 6.918 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.028 8.208 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.093 7.176 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.765 5.325 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.257 5.948 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.886 7.387 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.367 6.073 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.104 7.445 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.099 8.785 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.985 8.678 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.578 8.400 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.613 7.101 9.165 1.00 0.00 H new ATOM 244 N HIS A 21 -11.058 4.843 2.265 1.00 0.00 N ATOM 245 CA HIS A 21 -11.082 3.492 1.718 1.00 0.00 C ATOM 246 C HIS A 21 -10.780 2.461 2.802 1.00 0.00 C ATOM 247 O HIS A 21 -9.751 2.536 3.474 1.00 0.00 O ATOM 248 CB HIS A 21 -10.072 3.362 0.578 1.00 0.00 C ATOM 249 CG HIS A 21 -10.092 4.517 -0.375 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.228 4.920 -1.044 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.107 5.358 -0.767 1.00 0.00 C ATOM 252 CE1 HIS A 21 -10.940 5.958 -1.809 1.00 0.00 C ATOM 253 NE2 HIS A 21 -9.660 6.244 -1.659 1.00 0.00 N ATOM 0 H HIS A 21 -10.127 5.256 2.328 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.083 3.302 1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.071 3.267 0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.275 2.444 0.027 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.147 4.485 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.078 5.337 -0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.634 6.483 -2.448 1.00 0.00 H new ATOM 261 N TYR A 22 -11.682 1.501 2.967 1.00 0.00 N ATOM 262 CA TYR A 22 -11.513 0.457 3.971 1.00 0.00 C ATOM 263 C TYR A 22 -11.598 1.038 5.379 1.00 0.00 C ATOM 264 O TYR A 22 -10.879 0.613 6.283 1.00 0.00 O ATOM 265 CB TYR A 22 -10.172 -0.252 3.780 1.00 0.00 C ATOM 266 CG TYR A 22 -9.900 -0.658 2.349 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.651 -1.651 1.733 1.00 0.00 C ATOM 268 CD2 TYR A 22 -8.893 -0.046 1.612 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.405 -2.026 0.426 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.641 -0.414 0.304 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.400 -1.404 -0.284 1.00 0.00 C ATOM 272 OH TYR A 22 -9.153 -1.773 -1.586 1.00 0.00 O ATOM 0 H TYR A 22 -12.538 1.424 2.418 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.319 -0.266 3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.372 0.405 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.147 -1.140 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.441 -2.138 2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.297 0.730 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.997 -2.802 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.854 0.071 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.228 -1.548 -1.820 1.00 0.00 H new ATOM 282 N GLY A 23 -12.485 2.013 5.558 1.00 0.00 N ATOM 283 CA GLY A 23 -12.649 2.636 6.858 1.00 0.00 C ATOM 284 C GLY A 23 -11.427 3.428 7.280 1.00 0.00 C ATOM 285 O GLY A 23 -11.275 3.767 8.454 1.00 0.00 O ATOM 0 H GLY A 23 -13.092 2.382 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.516 3.297 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.855 1.867 7.603 1.00 0.00 H new ATOM 289 N GLN A 24 -10.554 3.720 6.323 1.00 0.00 N ATOM 290 CA GLN A 24 -9.338 4.475 6.603 1.00 0.00 C ATOM 291 C GLN A 24 -8.959 5.356 5.417 1.00 0.00 C ATOM 292 O GLN A 24 -9.182 4.992 4.263 1.00 0.00 O ATOM 293 CB GLN A 24 -8.187 3.523 6.934 1.00 0.00 C ATOM 294 CG GLN A 24 -7.176 4.107 7.907 1.00 0.00 C ATOM 295 CD GLN A 24 -7.824 4.658 9.162 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.722 5.849 9.456 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.496 3.791 9.911 1.00 0.00 N ATOM 0 H GLN A 24 -10.665 3.446 5.347 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.529 5.117 7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.596 2.605 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.675 3.250 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.456 3.336 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.618 4.902 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.555 2.812 9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.953 4.104 10.768 1.00 0.00 H new ATOM 306 N PHE A 25 -8.384 6.518 5.710 1.00 0.00 N ATOM 307 CA PHE A 25 -7.975 7.453 4.668 1.00 0.00 C ATOM 308 C PHE A 25 -6.618 7.062 4.090 1.00 0.00 C ATOM 309 O PHE A 25 -5.585 7.207 4.744 1.00 0.00 O ATOM 310 CB PHE A 25 -7.913 8.876 5.226 1.00 0.00 C ATOM 311 CG PHE A 25 -9.265 9.475 5.492 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.187 9.619 4.468 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.613 9.894 6.766 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.432 10.169 4.709 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.857 10.444 7.013 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.767 10.583 5.983 1.00 0.00 C ATOM 0 H PHE A 25 -8.191 6.835 6.660 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.716 7.415 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.339 8.870 6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.375 9.511 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.930 9.298 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.905 9.790 7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.142 10.275 3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.117 10.765 8.011 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.738 11.015 6.174 1.00 0.00 H new ATOM 326 N THR A 26 -6.628 6.565 2.857 1.00 0.00 N ATOM 327 CA THR A 26 -5.400 6.151 2.189 1.00 0.00 C ATOM 328 C THR A 26 -5.413 6.552 0.718 1.00 0.00 C ATOM 329 O THR A 26 -6.473 6.781 0.135 1.00 0.00 O ATOM 330 CB THR A 26 -5.190 4.629 2.293 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.349 3.940 1.814 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.908 4.219 3.731 1.00 0.00 C ATOM 0 H THR A 26 -7.473 6.439 2.300 1.00 0.00 H new ATOM 0 HA THR A 26 -4.578 6.659 2.694 1.00 0.00 H new ATOM 0 HB THR A 26 -4.330 4.361 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.890 4.549 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.763 3.140 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.008 4.722 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.751 4.501 4.362 1.00 0.00 H new ATOM 340 N CYS A 27 -4.228 6.633 0.122 1.00 0.00 N ATOM 341 CA CYS A 27 -4.101 7.005 -1.282 1.00 0.00 C ATOM 342 C CYS A 27 -4.513 5.850 -2.190 1.00 0.00 C ATOM 343 O CYS A 27 -4.639 4.711 -1.742 1.00 0.00 O ATOM 344 CB CYS A 27 -2.663 7.425 -1.592 1.00 0.00 C ATOM 345 SG CYS A 27 -1.459 6.059 -1.526 1.00 0.00 S ATOM 0 H CYS A 27 -3.341 6.446 0.590 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.767 7.847 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.633 7.874 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.360 8.196 -0.884 1.00 0.00 H new ATOM 350 N GLU A 28 -4.720 6.154 -3.467 1.00 0.00 N ATOM 351 CA GLU A 28 -5.118 5.141 -4.438 1.00 0.00 C ATOM 352 C GLU A 28 -4.030 4.083 -4.597 1.00 0.00 C ATOM 353 O GLU A 28 -4.307 2.941 -4.960 1.00 0.00 O ATOM 354 CB GLU A 28 -5.416 5.789 -5.792 1.00 0.00 C ATOM 355 CG GLU A 28 -6.625 6.709 -5.772 1.00 0.00 C ATOM 356 CD GLU A 28 -7.336 6.767 -7.111 1.00 0.00 C ATOM 357 OE1 GLU A 28 -8.076 5.814 -7.431 1.00 0.00 O ATOM 358 OE2 GLU A 28 -7.151 7.765 -7.838 1.00 0.00 O ATOM 0 H GLU A 28 -4.619 7.093 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.022 4.656 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.543 6.357 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.578 5.006 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.324 6.368 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.308 7.713 -5.489 1.00 0.00 H new ATOM 365 N GLY A 29 -2.788 4.473 -4.323 1.00 0.00 N ATOM 366 CA GLY A 29 -1.677 3.548 -4.442 1.00 0.00 C ATOM 367 C GLY A 29 -1.726 2.445 -3.402 1.00 0.00 C ATOM 368 O GLY A 29 -1.470 1.280 -3.709 1.00 0.00 O ATOM 0 H GLY A 29 -2.532 5.413 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.683 3.105 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.740 4.096 -4.342 1.00 0.00 H new ATOM 372 N CYS A 30 -2.053 2.813 -2.168 1.00 0.00 N ATOM 373 CA CYS A 30 -2.133 1.848 -1.078 1.00 0.00 C ATOM 374 C CYS A 30 -3.507 1.186 -1.037 1.00 0.00 C ATOM 375 O CYS A 30 -3.638 0.022 -0.657 1.00 0.00 O ATOM 376 CB CYS A 30 -1.845 2.532 0.259 1.00 0.00 C ATOM 377 SG CYS A 30 -0.201 3.313 0.356 1.00 0.00 S ATOM 0 H CYS A 30 -2.267 3.773 -1.898 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.383 1.077 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.607 3.291 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.934 1.796 1.058 1.00 0.00 H new ATOM 382 N LYS A 31 -4.531 1.935 -1.433 1.00 0.00 N ATOM 383 CA LYS A 31 -5.896 1.423 -1.443 1.00 0.00 C ATOM 384 C LYS A 31 -5.971 0.091 -2.183 1.00 0.00 C ATOM 385 O LYS A 31 -6.459 -0.903 -1.643 1.00 0.00 O ATOM 386 CB LYS A 31 -6.838 2.436 -2.099 1.00 0.00 C ATOM 387 CG LYS A 31 -8.220 1.879 -2.393 1.00 0.00 C ATOM 388 CD LYS A 31 -8.856 2.569 -3.588 1.00 0.00 C ATOM 389 CE LYS A 31 -8.208 2.134 -4.893 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.649 2.976 -6.039 1.00 0.00 N ATOM 0 H LYS A 31 -4.441 2.900 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.206 1.264 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.936 3.304 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.391 2.786 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.149 0.808 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.857 2.004 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.922 2.341 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.764 3.649 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.124 2.191 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.456 1.091 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.185 2.648 -6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.681 2.902 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.390 3.967 -5.861 1.00 0.00 H new ATOM 404 N SER A 32 -5.484 0.077 -3.419 1.00 0.00 N ATOM 405 CA SER A 32 -5.498 -1.133 -4.233 1.00 0.00 C ATOM 406 C SER A 32 -4.467 -2.139 -3.730 1.00 0.00 C ATOM 407 O SER A 32 -4.762 -3.325 -3.581 1.00 0.00 O ATOM 408 CB SER A 32 -5.220 -0.791 -5.698 1.00 0.00 C ATOM 409 OG SER A 32 -5.739 -1.788 -6.562 1.00 0.00 O ATOM 0 H SER A 32 -5.075 0.890 -3.879 1.00 0.00 H new ATOM 0 HA SER A 32 -6.488 -1.583 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.667 0.173 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.146 -0.693 -5.854 1.00 0.00 H new ATOM 0 HG SER A 32 -5.550 -1.545 -7.492 1.00 0.00 H new ATOM 415 N PHE A 33 -3.257 -1.656 -3.469 1.00 0.00 N ATOM 416 CA PHE A 33 -2.181 -2.511 -2.983 1.00 0.00 C ATOM 417 C PHE A 33 -2.649 -3.357 -1.802 1.00 0.00 C ATOM 418 O PHE A 33 -2.243 -4.509 -1.649 1.00 0.00 O ATOM 419 CB PHE A 33 -0.974 -1.665 -2.572 1.00 0.00 C ATOM 420 CG PHE A 33 0.081 -2.442 -1.839 1.00 0.00 C ATOM 421 CD1 PHE A 33 -0.077 -2.757 -0.499 1.00 0.00 C ATOM 422 CD2 PHE A 33 1.232 -2.858 -2.489 1.00 0.00 C ATOM 423 CE1 PHE A 33 0.892 -3.473 0.179 1.00 0.00 C ATOM 424 CE2 PHE A 33 2.204 -3.574 -1.817 1.00 0.00 C ATOM 425 CZ PHE A 33 2.035 -3.881 -0.481 1.00 0.00 C ATOM 0 H PHE A 33 -2.997 -0.677 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.889 -3.179 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.532 -1.220 -3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.314 -0.844 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.968 -2.439 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.371 -2.620 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.756 -3.713 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.096 -3.893 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.795 -4.439 0.046 1.00 0.00 H new ATOM 435 N PHE A 34 -3.506 -2.775 -0.969 1.00 0.00 N ATOM 436 CA PHE A 34 -4.029 -3.474 0.200 1.00 0.00 C ATOM 437 C PHE A 34 -5.022 -4.556 -0.213 1.00 0.00 C ATOM 438 O PHE A 34 -4.960 -5.688 0.267 1.00 0.00 O ATOM 439 CB PHE A 34 -4.704 -2.484 1.152 1.00 0.00 C ATOM 440 CG PHE A 34 -5.328 -3.137 2.352 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.549 -3.838 3.259 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.693 -3.051 2.573 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.120 -4.440 4.364 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.269 -3.650 3.676 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.482 -4.347 4.573 1.00 0.00 C ATOM 0 H PHE A 34 -3.853 -1.822 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.193 -3.949 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.967 -1.755 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.471 -1.934 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.483 -3.915 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.314 -2.509 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.502 -4.983 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.334 -3.574 3.838 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.931 -4.818 5.435 1.00 0.00 H new ATOM 455 N LYS A 35 -5.938 -4.201 -1.107 1.00 0.00 N ATOM 456 CA LYS A 35 -6.945 -5.140 -1.587 1.00 0.00 C ATOM 457 C LYS A 35 -6.297 -6.285 -2.358 1.00 0.00 C ATOM 458 O LYS A 35 -6.333 -7.437 -1.925 1.00 0.00 O ATOM 459 CB LYS A 35 -7.960 -4.421 -2.478 1.00 0.00 C ATOM 460 CG LYS A 35 -8.650 -5.336 -3.475 1.00 0.00 C ATOM 461 CD LYS A 35 -9.507 -4.550 -4.453 1.00 0.00 C ATOM 462 CE LYS A 35 -9.855 -5.378 -5.680 1.00 0.00 C ATOM 463 NZ LYS A 35 -8.684 -5.551 -6.583 1.00 0.00 N ATOM 0 H LYS A 35 -6.004 -3.268 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.461 -5.554 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.714 -3.950 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.453 -3.623 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.902 -5.908 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.272 -6.055 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.423 -4.228 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.977 -3.648 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.219 -6.356 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.666 -4.896 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.006 -5.907 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.208 -4.636 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.019 -6.231 -6.163 1.00 0.00 H new ATOM 477 N ARG A 36 -5.703 -5.961 -3.502 1.00 0.00 N ATOM 478 CA ARG A 36 -5.046 -6.963 -4.333 1.00 0.00 C ATOM 479 C ARG A 36 -4.326 -7.996 -3.472 1.00 0.00 C ATOM 480 O ARG A 36 -4.135 -9.140 -3.886 1.00 0.00 O ATOM 481 CB ARG A 36 -4.052 -6.295 -5.285 1.00 0.00 C ATOM 482 CG ARG A 36 -2.804 -5.772 -4.593 1.00 0.00 C ATOM 483 CD ARG A 36 -1.612 -5.749 -5.537 1.00 0.00 C ATOM 484 NE ARG A 36 -1.157 -7.094 -5.878 1.00 0.00 N ATOM 485 CZ ARG A 36 0.060 -7.365 -6.335 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.940 -6.388 -6.505 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.399 -8.615 -6.623 1.00 0.00 N ATOM 0 H ARG A 36 -5.663 -5.012 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.812 -7.473 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.759 -7.012 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.548 -5.469 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.990 -4.766 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.575 -6.399 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.882 -5.216 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.794 -5.196 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.810 -7.868 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.683 -5.426 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.874 -6.598 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.276 -9.369 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.334 -8.822 -6.974 1.00 0.00 H new ATOM 501 N SER A 37 -3.930 -7.586 -2.271 1.00 0.00 N ATOM 502 CA SER A 37 -3.227 -8.475 -1.353 1.00 0.00 C ATOM 503 C SER A 37 -4.201 -9.126 -0.376 1.00 0.00 C ATOM 504 O SER A 37 -4.015 -10.272 0.033 1.00 0.00 O ATOM 505 CB SER A 37 -2.154 -7.703 -0.584 1.00 0.00 C ATOM 506 OG SER A 37 -2.731 -6.685 0.215 1.00 0.00 O ATOM 0 H SER A 37 -4.084 -6.644 -1.911 1.00 0.00 H new ATOM 0 HA SER A 37 -2.749 -9.260 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.590 -8.390 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.446 -7.261 -1.286 1.00 0.00 H new ATOM 0 HG SER A 37 -3.648 -6.514 -0.085 1.00 0.00 H new ATOM 512 N VAL A 38 -5.240 -8.385 -0.004 1.00 0.00 N ATOM 513 CA VAL A 38 -6.244 -8.889 0.925 1.00 0.00 C ATOM 514 C VAL A 38 -7.284 -9.739 0.203 1.00 0.00 C ATOM 515 O VAL A 38 -7.471 -10.913 0.522 1.00 0.00 O ATOM 516 CB VAL A 38 -6.958 -7.738 1.659 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.042 -8.281 2.578 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.956 -6.901 2.439 1.00 0.00 C ATOM 0 H VAL A 38 -5.408 -7.434 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.719 -9.505 1.655 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.433 -7.096 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.535 -7.453 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.775 -8.833 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.594 -8.946 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.478 -6.093 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.450 -7.529 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.221 -6.481 1.753 1.00 0.00 H new ATOM 528 N ARG A 39 -7.957 -9.138 -0.773 1.00 0.00 N ATOM 529 CA ARG A 39 -8.978 -9.839 -1.541 1.00 0.00 C ATOM 530 C ARG A 39 -8.424 -11.135 -2.127 1.00 0.00 C ATOM 531 O ARG A 39 -9.166 -12.090 -2.359 1.00 0.00 O ATOM 532 CB ARG A 39 -9.508 -8.945 -2.663 1.00 0.00 C ATOM 533 CG ARG A 39 -8.469 -8.622 -3.725 1.00 0.00 C ATOM 534 CD ARG A 39 -8.507 -9.628 -4.865 1.00 0.00 C ATOM 535 NE ARG A 39 -7.745 -9.170 -6.024 1.00 0.00 N ATOM 536 CZ ARG A 39 -7.934 -9.630 -7.256 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.855 -10.556 -7.487 1.00 0.00 N ATOM 538 NH2 ARG A 39 -7.202 -9.164 -8.259 1.00 0.00 N ATOM 0 H ARG A 39 -7.813 -8.167 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.797 -10.086 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.359 -9.435 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.876 -8.014 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.646 -7.620 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.476 -8.618 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.106 -10.581 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.542 -9.805 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.029 -8.458 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.420 -10.916 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.998 -10.908 -8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.493 -8.452 -8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.348 -9.518 -9.204 1.00 0.00 H new ATOM 552 N ARG A 40 -7.117 -11.159 -2.364 1.00 0.00 N ATOM 553 CA ARG A 40 -6.464 -12.336 -2.924 1.00 0.00 C ATOM 554 C ARG A 40 -5.882 -13.213 -1.820 1.00 0.00 C ATOM 555 O ARG A 40 -5.655 -14.406 -2.015 1.00 0.00 O ATOM 556 CB ARG A 40 -5.357 -11.918 -3.895 1.00 0.00 C ATOM 557 CG ARG A 40 -5.878 -11.322 -5.192 1.00 0.00 C ATOM 558 CD ARG A 40 -4.910 -11.557 -6.341 1.00 0.00 C ATOM 559 NE ARG A 40 -5.043 -12.898 -6.904 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.445 -13.287 -8.024 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.675 -12.443 -8.697 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.614 -14.524 -8.473 1.00 0.00 N ATOM 0 H ARG A 40 -6.489 -10.377 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.214 -12.913 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.711 -11.190 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.741 -12.787 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.845 -11.763 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.039 -10.252 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.088 -10.817 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.888 -11.411 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.627 -13.573 -6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.540 -11.492 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.217 -12.745 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.204 -15.177 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.154 -14.822 -9.333 1.00 0.00 H new ATOM 576 N ASN A 41 -5.641 -12.611 -0.659 1.00 0.00 N ATOM 577 CA ASN A 41 -5.085 -13.337 0.477 1.00 0.00 C ATOM 578 C ASN A 41 -3.615 -13.673 0.241 1.00 0.00 C ATOM 579 O ASN A 41 -3.158 -14.770 0.564 1.00 0.00 O ATOM 580 CB ASN A 41 -5.879 -14.621 0.727 1.00 0.00 C ATOM 581 CG ASN A 41 -5.663 -15.171 2.124 1.00 0.00 C ATOM 582 OD1 ASN A 41 -4.579 -15.040 2.694 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.696 -15.791 2.682 1.00 0.00 N ATOM 0 H ASN A 41 -5.822 -11.623 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.157 -12.696 1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.940 -14.424 0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.588 -15.374 -0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.610 -16.182 3.620 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.576 -15.876 2.173 1.00 0.00 H new ATOM 590 N LEU A 42 -2.880 -12.721 -0.324 1.00 0.00 N ATOM 591 CA LEU A 42 -1.461 -12.914 -0.603 1.00 0.00 C ATOM 592 C LEU A 42 -0.632 -12.774 0.669 1.00 0.00 C ATOM 593 O LEU A 42 -1.139 -12.357 1.711 1.00 0.00 O ATOM 594 CB LEU A 42 -0.986 -11.906 -1.650 1.00 0.00 C ATOM 595 CG LEU A 42 -1.932 -11.662 -2.826 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.400 -10.551 -3.718 1.00 0.00 C ATOM 597 CD2 LEU A 42 -2.129 -12.942 -3.626 1.00 0.00 C ATOM 0 H LEU A 42 -3.243 -11.808 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.326 -13.923 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.805 -10.954 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.029 -12.246 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.899 -11.351 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.087 -10.392 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.311 -9.631 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.421 -10.833 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.805 -12.750 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.167 -13.283 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.556 -13.711 -2.982 1.00 0.00 H new ATOM 609 N THR A 43 0.648 -13.121 0.576 1.00 0.00 N ATOM 610 CA THR A 43 1.549 -13.033 1.719 1.00 0.00 C ATOM 611 C THR A 43 2.977 -12.746 1.272 1.00 0.00 C ATOM 612 O THR A 43 3.577 -13.531 0.536 1.00 0.00 O ATOM 613 CB THR A 43 1.533 -14.331 2.548 1.00 0.00 C ATOM 614 OG1 THR A 43 0.184 -14.694 2.865 1.00 0.00 O ATOM 615 CG2 THR A 43 2.333 -14.163 3.831 1.00 0.00 C ATOM 0 H THR A 43 1.084 -13.466 -0.279 1.00 0.00 H new ATOM 0 HA THR A 43 1.193 -12.210 2.339 1.00 0.00 H new ATOM 0 HB THR A 43 1.991 -15.121 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.183 -15.521 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.307 -15.092 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.366 -13.916 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.900 -13.360 4.428 1.00 0.00 H new ATOM 623 N TYR A 44 3.518 -11.619 1.721 1.00 0.00 N ATOM 624 CA TYR A 44 4.877 -11.228 1.365 1.00 0.00 C ATOM 625 C TYR A 44 5.836 -11.478 2.525 1.00 0.00 C ATOM 626 O TYR A 44 5.417 -11.632 3.672 1.00 0.00 O ATOM 627 CB TYR A 44 4.917 -9.753 0.964 1.00 0.00 C ATOM 628 CG TYR A 44 3.737 -9.322 0.121 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.486 -9.913 -1.111 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.875 -8.323 0.557 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.410 -9.523 -1.885 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.796 -7.928 -0.210 1.00 0.00 C ATOM 633 CZ TYR A 44 1.568 -8.530 -1.429 1.00 0.00 C ATOM 634 OH TYR A 44 0.495 -8.137 -2.196 1.00 0.00 O ATOM 0 H TYR A 44 3.036 -10.960 2.332 1.00 0.00 H new ATOM 0 HA TYR A 44 5.194 -11.836 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.952 -9.141 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.837 -9.560 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.144 -10.691 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.051 -7.848 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.229 -9.992 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.134 -7.151 0.144 1.00 0.00 H new ATOM 0 HH TYR A 44 0.606 -8.472 -3.110 1.00 0.00 H new ATOM 644 N THR A 45 7.129 -11.516 2.216 1.00 0.00 N ATOM 645 CA THR A 45 8.150 -11.747 3.230 1.00 0.00 C ATOM 646 C THR A 45 9.159 -10.604 3.265 1.00 0.00 C ATOM 647 O THR A 45 10.052 -10.525 2.421 1.00 0.00 O ATOM 648 CB THR A 45 8.899 -13.070 2.983 1.00 0.00 C ATOM 649 OG1 THR A 45 7.981 -14.168 3.027 1.00 0.00 O ATOM 650 CG2 THR A 45 9.993 -13.275 4.019 1.00 0.00 C ATOM 0 H THR A 45 7.493 -11.390 1.272 1.00 0.00 H new ATOM 0 HA THR A 45 7.635 -11.803 4.189 1.00 0.00 H new ATOM 0 HB THR A 45 9.360 -13.022 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.465 -15.005 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.508 -14.216 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.706 -12.453 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.550 -13.304 5.015 1.00 0.00 H new ATOM 658 N CYS A 46 9.011 -9.721 4.247 1.00 0.00 N ATOM 659 CA CYS A 46 9.909 -8.582 4.393 1.00 0.00 C ATOM 660 C CYS A 46 11.357 -9.045 4.532 1.00 0.00 C ATOM 661 O CYS A 46 11.738 -9.630 5.546 1.00 0.00 O ATOM 662 CB CYS A 46 9.512 -7.745 5.610 1.00 0.00 C ATOM 663 SG CYS A 46 10.719 -6.454 6.052 1.00 0.00 S ATOM 0 H CYS A 46 8.277 -9.773 4.954 1.00 0.00 H new ATOM 0 HA CYS A 46 9.826 -7.969 3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.548 -7.275 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.376 -8.408 6.465 1.00 0.00 H new ATOM 668 N ARG A 47 12.158 -8.778 3.506 1.00 0.00 N ATOM 669 CA ARG A 47 13.563 -9.168 3.512 1.00 0.00 C ATOM 670 C ARG A 47 14.324 -8.440 4.616 1.00 0.00 C ATOM 671 O ARG A 47 15.461 -8.788 4.933 1.00 0.00 O ATOM 672 CB ARG A 47 14.203 -8.871 2.155 1.00 0.00 C ATOM 673 CG ARG A 47 13.396 -9.386 0.975 1.00 0.00 C ATOM 674 CD ARG A 47 13.684 -10.854 0.701 1.00 0.00 C ATOM 675 NE ARG A 47 12.643 -11.474 -0.114 1.00 0.00 N ATOM 676 CZ ARG A 47 12.801 -12.626 -0.756 1.00 0.00 C ATOM 677 NH1 ARG A 47 13.951 -13.281 -0.677 1.00 0.00 N ATOM 678 NH2 ARG A 47 11.807 -13.126 -1.479 1.00 0.00 N ATOM 0 H ARG A 47 11.858 -8.293 2.660 1.00 0.00 H new ATOM 0 HA ARG A 47 13.616 -10.240 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.334 -7.794 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.197 -9.317 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.333 -9.254 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.629 -8.797 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.644 -10.946 0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.770 -11.389 1.647 1.00 0.00 H new ATOM 0 HE ARG A 47 11.745 -10.996 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.718 -12.900 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.069 -14.165 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.920 -12.626 -1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.930 -14.011 -1.972 1.00 0.00 H new ATOM 692 N ALA A 48 13.689 -7.427 5.197 1.00 0.00 N ATOM 693 CA ALA A 48 14.305 -6.651 6.265 1.00 0.00 C ATOM 694 C ALA A 48 13.757 -7.061 7.628 1.00 0.00 C ATOM 695 O ALA A 48 13.014 -8.035 7.741 1.00 0.00 O ATOM 696 CB ALA A 48 14.086 -5.164 6.031 1.00 0.00 C ATOM 0 H ALA A 48 12.748 -7.125 4.945 1.00 0.00 H new ATOM 0 HA ALA A 48 15.376 -6.855 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.552 -4.596 6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.532 -4.876 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.017 -4.953 6.009 1.00 0.00 H new ATOM 702 N ASN A 49 14.129 -6.311 8.660 1.00 0.00 N ATOM 703 CA ASN A 49 13.674 -6.597 10.016 1.00 0.00 C ATOM 704 C ASN A 49 12.265 -6.059 10.243 1.00 0.00 C ATOM 705 O ASN A 49 11.909 -5.670 11.355 1.00 0.00 O ATOM 706 CB ASN A 49 14.635 -5.987 11.038 1.00 0.00 C ATOM 707 CG ASN A 49 15.916 -6.788 11.178 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.046 -7.618 12.078 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.868 -6.541 10.287 1.00 0.00 N ATOM 0 H ASN A 49 14.744 -5.501 8.583 1.00 0.00 H new ATOM 0 HA ASN A 49 13.655 -7.679 10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.878 -4.967 10.740 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.140 -5.927 12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.752 -7.048 10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.716 -5.844 9.558 1.00 0.00 H new ATOM 716 N ARG A 50 11.466 -6.042 9.180 1.00 0.00 N ATOM 717 CA ARG A 50 10.096 -5.552 9.263 1.00 0.00 C ATOM 718 C ARG A 50 10.054 -4.153 9.872 1.00 0.00 C ATOM 719 O ARG A 50 9.139 -3.820 10.624 1.00 0.00 O ATOM 720 CB ARG A 50 9.238 -6.508 10.094 1.00 0.00 C ATOM 721 CG ARG A 50 9.119 -7.898 9.493 1.00 0.00 C ATOM 722 CD ARG A 50 8.269 -8.811 10.363 1.00 0.00 C ATOM 723 NE ARG A 50 9.040 -9.402 11.453 1.00 0.00 N ATOM 724 CZ ARG A 50 8.999 -10.693 11.766 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.230 -11.522 11.074 1.00 0.00 N ATOM 726 NH2 ARG A 50 9.730 -11.156 12.772 1.00 0.00 N ATOM 0 H ARG A 50 11.744 -6.362 8.252 1.00 0.00 H new ATOM 0 HA ARG A 50 9.694 -5.501 8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.664 -6.589 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.240 -6.083 10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.679 -7.829 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.113 -8.330 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.434 -8.244 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.843 -9.604 9.748 1.00 0.00 H new ATOM 0 HE ARG A 50 9.643 -8.791 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.668 -11.169 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.200 -12.512 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.324 -10.521 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.698 -12.147 13.012 1.00 0.00 H new ATOM 740 N ASN A 51 11.052 -3.340 9.543 1.00 0.00 N ATOM 741 CA ASN A 51 11.130 -1.978 10.059 1.00 0.00 C ATOM 742 C ASN A 51 11.298 -0.975 8.922 1.00 0.00 C ATOM 743 O ASN A 51 11.790 0.136 9.126 1.00 0.00 O ATOM 744 CB ASN A 51 12.294 -1.849 11.043 1.00 0.00 C ATOM 745 CG ASN A 51 11.876 -2.134 12.473 1.00 0.00 C ATOM 746 OD1 ASN A 51 11.878 -1.242 13.321 1.00 0.00 O ATOM 747 ND2 ASN A 51 11.515 -3.382 12.746 1.00 0.00 N ATOM 0 H ASN A 51 11.818 -3.600 8.922 1.00 0.00 H new ATOM 0 HA ASN A 51 10.197 -1.759 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.088 -2.538 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.708 -0.843 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.224 -3.634 13.691 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.529 -4.089 12.011 1.00 0.00 H new ATOM 754 N CYS A 52 10.886 -1.373 7.723 1.00 0.00 N ATOM 755 CA CYS A 52 10.989 -0.510 6.552 1.00 0.00 C ATOM 756 C CYS A 52 10.058 0.693 6.679 1.00 0.00 C ATOM 757 O CYS A 52 8.845 0.556 6.836 1.00 0.00 O ATOM 758 CB CYS A 52 10.656 -1.295 5.282 1.00 0.00 C ATOM 759 SG CYS A 52 11.378 -2.967 5.231 1.00 0.00 S ATOM 0 H CYS A 52 10.477 -2.289 7.537 1.00 0.00 H new ATOM 0 HA CYS A 52 12.015 -0.148 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.573 -1.376 5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.008 -0.732 4.417 1.00 0.00 H new ATOM 764 N PRO A 53 10.638 1.900 6.609 1.00 0.00 N ATOM 765 CA PRO A 53 9.879 3.150 6.712 1.00 0.00 C ATOM 766 C PRO A 53 8.997 3.395 5.493 1.00 0.00 C ATOM 767 O PRO A 53 9.423 4.021 4.522 1.00 0.00 O ATOM 768 CB PRO A 53 10.970 4.220 6.807 1.00 0.00 C ATOM 769 CG PRO A 53 12.155 3.613 6.140 1.00 0.00 C ATOM 770 CD PRO A 53 12.079 2.138 6.423 1.00 0.00 C ATOM 0 HA PRO A 53 9.195 3.143 7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.665 5.141 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.187 4.474 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.140 3.806 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.081 4.038 6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.480 1.549 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.649 1.870 7.313 1.00 0.00 H new ATOM 778 N ILE A 54 7.766 2.899 5.551 1.00 0.00 N ATOM 779 CA ILE A 54 6.823 3.066 4.451 1.00 0.00 C ATOM 780 C ILE A 54 6.425 4.528 4.286 1.00 0.00 C ATOM 781 O ILE A 54 5.683 5.076 5.101 1.00 0.00 O ATOM 782 CB ILE A 54 5.554 2.220 4.665 1.00 0.00 C ATOM 783 CG1 ILE A 54 5.924 0.754 4.895 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.620 2.356 3.471 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.522 0.084 3.678 1.00 0.00 C ATOM 0 H ILE A 54 7.398 2.378 6.347 1.00 0.00 H new ATOM 0 HA ILE A 54 7.328 2.726 3.547 1.00 0.00 H new ATOM 0 HB ILE A 54 5.036 2.587 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.634 0.692 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.032 0.206 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.728 1.753 3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.334 3.401 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.128 2.012 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.760 -0.953 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.806 0.114 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.432 0.607 3.385 1.00 0.00 H new ATOM 797 N ASP A 55 6.922 5.155 3.225 1.00 0.00 N ATOM 798 CA ASP A 55 6.616 6.554 2.950 1.00 0.00 C ATOM 799 C ASP A 55 6.075 6.724 1.534 1.00 0.00 C ATOM 800 O ASP A 55 5.840 5.744 0.828 1.00 0.00 O ATOM 801 CB ASP A 55 7.863 7.418 3.141 1.00 0.00 C ATOM 802 CG ASP A 55 7.528 8.831 3.577 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.588 8.996 4.383 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.206 9.771 3.114 1.00 0.00 O ATOM 0 H ASP A 55 7.539 4.716 2.541 1.00 0.00 H new ATOM 0 HA ASP A 55 5.849 6.878 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.511 6.955 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.424 7.453 2.207 1.00 0.00 H new ATOM 809 N GLN A 56 5.879 7.974 1.127 1.00 0.00 N ATOM 810 CA GLN A 56 5.364 8.271 -0.204 1.00 0.00 C ATOM 811 C GLN A 56 6.488 8.711 -1.137 1.00 0.00 C ATOM 812 O GLN A 56 6.549 8.292 -2.293 1.00 0.00 O ATOM 813 CB GLN A 56 4.293 9.360 -0.128 1.00 0.00 C ATOM 814 CG GLN A 56 3.979 10.000 -1.471 1.00 0.00 C ATOM 815 CD GLN A 56 3.871 8.983 -2.591 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.345 9.215 -3.703 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.245 7.848 -2.302 1.00 0.00 N ATOM 0 H GLN A 56 6.069 8.797 1.699 1.00 0.00 H new ATOM 0 HA GLN A 56 4.919 7.361 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.379 8.931 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.622 10.134 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.043 10.553 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.757 10.723 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.867 7.698 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.142 7.126 -3.016 1.00 0.00 H new ATOM 826 N HIS A 57 7.376 9.558 -0.627 1.00 0.00 N ATOM 827 CA HIS A 57 8.499 10.055 -1.414 1.00 0.00 C ATOM 828 C HIS A 57 9.109 8.938 -2.255 1.00 0.00 C ATOM 829 O HIS A 57 9.338 9.103 -3.454 1.00 0.00 O ATOM 830 CB HIS A 57 9.563 10.660 -0.499 1.00 0.00 C ATOM 831 CG HIS A 57 10.573 9.665 -0.016 1.00 0.00 C ATOM 832 ND1 HIS A 57 11.692 9.315 -0.742 1.00 0.00 N ATOM 833 CD2 HIS A 57 10.630 8.945 1.129 1.00 0.00 C ATOM 834 CE1 HIS A 57 12.392 8.421 -0.066 1.00 0.00 C ATOM 835 NE2 HIS A 57 11.769 8.180 1.073 1.00 0.00 N ATOM 0 H HIS A 57 7.340 9.915 0.328 1.00 0.00 H new ATOM 0 HA HIS A 57 8.126 10.829 -2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.078 11.459 -1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.074 11.116 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.913 8.968 1.936 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.316 7.965 -0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.083 7.531 1.794 1.00 0.00 H new ATOM 843 N HIS A 58 9.371 7.801 -1.619 1.00 0.00 N ATOM 844 CA HIS A 58 9.955 6.656 -2.309 1.00 0.00 C ATOM 845 C HIS A 58 8.888 5.884 -3.080 1.00 0.00 C ATOM 846 O HIS A 58 7.696 6.002 -2.796 1.00 0.00 O ATOM 847 CB HIS A 58 10.648 5.730 -1.309 1.00 0.00 C ATOM 848 CG HIS A 58 11.625 4.787 -1.942 1.00 0.00 C ATOM 849 ND1 HIS A 58 11.755 3.469 -1.559 1.00 0.00 N ATOM 850 CD2 HIS A 58 12.519 4.978 -2.940 1.00 0.00 C ATOM 851 CE1 HIS A 58 12.690 2.891 -2.292 1.00 0.00 C ATOM 852 NE2 HIS A 58 13.169 3.784 -3.138 1.00 0.00 N ATOM 0 H HIS A 58 9.188 7.648 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 58 10.693 7.029 -3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 58 11.169 6.335 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 58 9.892 5.153 -0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 58 12.690 5.898 -3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 58 13.008 1.862 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.902 3.615 -3.827 1.00 0.00 H new ATOM 860 N ARG A 59 9.325 5.095 -4.056 1.00 0.00 N ATOM 861 CA ARG A 59 8.408 4.306 -4.869 1.00 0.00 C ATOM 862 C ARG A 59 8.415 2.843 -4.432 1.00 0.00 C ATOM 863 O ARG A 59 7.416 2.331 -3.930 1.00 0.00 O ATOM 864 CB ARG A 59 8.785 4.409 -6.348 1.00 0.00 C ATOM 865 CG ARG A 59 7.894 3.585 -7.263 1.00 0.00 C ATOM 866 CD ARG A 59 8.288 3.752 -8.722 1.00 0.00 C ATOM 867 NE ARG A 59 7.997 5.095 -9.217 1.00 0.00 N ATOM 868 CZ ARG A 59 7.916 5.400 -10.507 1.00 0.00 C ATOM 869 NH1 ARG A 59 8.103 4.464 -11.427 1.00 0.00 N ATOM 870 NH2 ARG A 59 7.647 6.645 -10.880 1.00 0.00 N ATOM 0 H ARG A 59 10.309 4.985 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 59 7.403 4.705 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.738 5.454 -6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.818 4.086 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.959 2.533 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.855 3.886 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.352 3.546 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.755 3.019 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 59 7.848 5.839 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.310 3.506 -11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.040 4.702 -12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.502 7.368 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.585 6.878 -11.871 1.00 0.00 H new ATOM 884 N ASN A 60 9.549 2.178 -4.628 1.00 0.00 N ATOM 885 CA ASN A 60 9.686 0.775 -4.255 1.00 0.00 C ATOM 886 C ASN A 60 9.655 0.609 -2.739 1.00 0.00 C ATOM 887 O ASN A 60 10.687 0.701 -2.075 1.00 0.00 O ATOM 888 CB ASN A 60 10.989 0.202 -4.816 1.00 0.00 C ATOM 889 CG ASN A 60 11.095 0.371 -6.320 1.00 0.00 C ATOM 890 OD1 ASN A 60 10.370 -0.272 -7.080 1.00 0.00 O ATOM 891 ND2 ASN A 60 12.001 1.238 -6.755 1.00 0.00 N ATOM 0 H ASN A 60 10.386 2.588 -5.043 1.00 0.00 H new ATOM 0 HA ASN A 60 8.844 0.228 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.835 0.695 -4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.054 -0.857 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.118 1.394 -7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.580 1.749 -6.088 1.00 0.00 H new ATOM 898 N GLN A 61 8.466 0.363 -2.200 1.00 0.00 N ATOM 899 CA GLN A 61 8.301 0.185 -0.762 1.00 0.00 C ATOM 900 C GLN A 61 8.149 -1.292 -0.411 1.00 0.00 C ATOM 901 O GLN A 61 7.691 -2.091 -1.228 1.00 0.00 O ATOM 902 CB GLN A 61 7.085 0.968 -0.265 1.00 0.00 C ATOM 903 CG GLN A 61 7.147 2.453 -0.581 1.00 0.00 C ATOM 904 CD GLN A 61 7.815 3.256 0.519 1.00 0.00 C ATOM 905 OE1 GLN A 61 8.255 2.703 1.527 1.00 0.00 O ATOM 906 NE2 GLN A 61 7.895 4.568 0.329 1.00 0.00 N ATOM 0 H GLN A 61 7.603 0.282 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 61 9.195 0.567 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.185 0.547 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.996 0.838 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.691 2.600 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.136 2.830 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.517 4.984 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.335 5.160 1.034 1.00 0.00 H new ATOM 915 N CYS A 62 8.536 -1.647 0.810 1.00 0.00 N ATOM 916 CA CYS A 62 8.443 -3.028 1.270 1.00 0.00 C ATOM 917 C CYS A 62 7.011 -3.543 1.159 1.00 0.00 C ATOM 918 O CYS A 62 6.072 -2.896 1.621 1.00 0.00 O ATOM 919 CB CYS A 62 8.927 -3.138 2.717 1.00 0.00 C ATOM 920 SG CYS A 62 8.633 -4.768 3.477 1.00 0.00 S ATOM 0 H CYS A 62 8.917 -0.998 1.498 1.00 0.00 H new ATOM 0 HA CYS A 62 9.080 -3.641 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.995 -2.921 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.428 -2.375 3.315 1.00 0.00 H new ATOM 925 N GLN A 63 6.854 -4.711 0.545 1.00 0.00 N ATOM 926 CA GLN A 63 5.537 -5.313 0.374 1.00 0.00 C ATOM 927 C GLN A 63 4.889 -5.598 1.725 1.00 0.00 C ATOM 928 O GLN A 63 3.883 -4.986 2.083 1.00 0.00 O ATOM 929 CB GLN A 63 5.645 -6.606 -0.436 1.00 0.00 C ATOM 930 CG GLN A 63 5.860 -6.375 -1.924 1.00 0.00 C ATOM 931 CD GLN A 63 6.617 -7.509 -2.586 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.662 -7.297 -3.202 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.092 -8.723 -2.464 1.00 0.00 N ATOM 0 H GLN A 63 7.622 -5.259 0.158 1.00 0.00 H new ATOM 0 HA GLN A 63 4.909 -4.605 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.470 -7.202 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.736 -7.190 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.893 -6.254 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.408 -5.444 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.224 -8.853 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.557 -9.525 -2.890 1.00 0.00 H new ATOM 942 N TYR A 64 5.472 -6.530 2.470 1.00 0.00 N ATOM 943 CA TYR A 64 4.950 -6.899 3.780 1.00 0.00 C ATOM 944 C TYR A 64 4.692 -5.660 4.632 1.00 0.00 C ATOM 945 O TYR A 64 3.544 -5.281 4.867 1.00 0.00 O ATOM 946 CB TYR A 64 5.928 -7.830 4.499 1.00 0.00 C ATOM 947 CG TYR A 64 5.720 -7.889 5.995 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.821 -8.788 6.557 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.421 -7.044 6.848 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.627 -8.844 7.923 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.234 -7.095 8.215 1.00 0.00 C ATOM 952 CZ TYR A 64 5.336 -7.996 8.748 1.00 0.00 C ATOM 953 OH TYR A 64 5.147 -8.049 10.110 1.00 0.00 O ATOM 0 H TYR A 64 6.307 -7.044 2.189 1.00 0.00 H new ATOM 0 HA TYR A 64 4.004 -7.420 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.830 -8.834 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.947 -7.500 4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.265 -9.454 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.124 -6.336 6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.924 -9.548 8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.788 -6.433 8.864 1.00 0.00 H new ATOM 0 HH TYR A 64 4.900 -8.961 10.371 1.00 0.00 H new ATOM 963 N CYS A 65 5.768 -5.030 5.091 1.00 0.00 N ATOM 964 CA CYS A 65 5.662 -3.833 5.916 1.00 0.00 C ATOM 965 C CYS A 65 4.510 -2.950 5.446 1.00 0.00 C ATOM 966 O CYS A 65 3.584 -2.662 6.206 1.00 0.00 O ATOM 967 CB CYS A 65 6.972 -3.044 5.879 1.00 0.00 C ATOM 968 SG CYS A 65 8.298 -3.757 6.905 1.00 0.00 S ATOM 0 H CYS A 65 6.725 -5.329 4.905 1.00 0.00 H new ATOM 0 HA CYS A 65 5.463 -4.145 6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.318 -2.983 4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.779 -2.024 6.211 1.00 0.00 H new ATOM 973 N ARG A 66 4.574 -2.522 4.189 1.00 0.00 N ATOM 974 CA ARG A 66 3.537 -1.671 3.618 1.00 0.00 C ATOM 975 C ARG A 66 2.150 -2.248 3.887 1.00 0.00 C ATOM 976 O ARG A 66 1.271 -1.562 4.410 1.00 0.00 O ATOM 977 CB ARG A 66 3.752 -1.511 2.112 1.00 0.00 C ATOM 978 CG ARG A 66 2.724 -0.614 1.442 1.00 0.00 C ATOM 979 CD ARG A 66 3.080 -0.346 -0.012 1.00 0.00 C ATOM 980 NE ARG A 66 2.137 0.570 -0.647 1.00 0.00 N ATOM 981 CZ ARG A 66 1.971 0.658 -1.962 1.00 0.00 C ATOM 982 NH1 ARG A 66 2.680 -0.111 -2.776 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.092 1.516 -2.465 1.00 0.00 N ATOM 0 H ARG A 66 5.333 -2.751 3.547 1.00 0.00 H new ATOM 0 HA ARG A 66 3.602 -0.692 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.747 -1.102 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.724 -2.495 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.741 -1.082 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.658 0.331 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.085 0.072 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.096 -1.288 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 66 1.575 1.175 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.355 -0.773 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.550 -0.041 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.543 2.108 -1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.965 1.583 -3.475 1.00 0.00 H new ATOM 997 N LEU A 67 1.961 -3.512 3.525 1.00 0.00 N ATOM 998 CA LEU A 67 0.681 -4.182 3.726 1.00 0.00 C ATOM 999 C LEU A 67 0.280 -4.161 5.198 1.00 0.00 C ATOM 1000 O LEU A 67 -0.772 -3.634 5.558 1.00 0.00 O ATOM 1001 CB LEU A 67 0.755 -5.626 3.227 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.117 -6.639 3.971 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.582 -6.451 3.608 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.334 -8.059 3.661 1.00 0.00 C ATOM 0 H LEU A 67 2.678 -4.094 3.091 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.076 -3.645 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.475 -5.640 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.792 -5.957 3.286 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.005 -6.469 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.187 -7.180 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.898 -5.444 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.712 -6.593 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.297 -8.767 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.252 -8.241 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.371 -8.188 3.973 1.00 0.00 H new ATOM 1016 N LYS A 68 1.128 -4.734 6.045 1.00 0.00 N ATOM 1017 CA LYS A 68 0.866 -4.779 7.478 1.00 0.00 C ATOM 1018 C LYS A 68 0.470 -3.402 8.002 1.00 0.00 C ATOM 1019 O LYS A 68 -0.483 -3.269 8.770 1.00 0.00 O ATOM 1020 CB LYS A 68 2.100 -5.285 8.228 1.00 0.00 C ATOM 1021 CG LYS A 68 2.267 -6.794 8.176 1.00 0.00 C ATOM 1022 CD LYS A 68 1.026 -7.509 8.685 1.00 0.00 C ATOM 1023 CE LYS A 68 1.378 -8.832 9.348 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.376 -9.219 10.380 1.00 0.00 N ATOM 0 H LYS A 68 2.004 -5.174 5.763 1.00 0.00 H new ATOM 0 HA LYS A 68 0.037 -5.466 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.989 -4.815 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.036 -4.971 9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.472 -7.103 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.129 -7.087 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.504 -6.871 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.341 -7.687 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.439 -9.613 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.363 -8.757 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.651 -10.126 10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.336 -8.486 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.560 -9.316 9.936 1.00 0.00 H new ATOM 1038 N LYS A 69 1.206 -2.379 7.580 1.00 0.00 N ATOM 1039 CA LYS A 69 0.930 -1.012 8.004 1.00 0.00 C ATOM 1040 C LYS A 69 -0.550 -0.681 7.845 1.00 0.00 C ATOM 1041 O LYS A 69 -1.098 0.129 8.594 1.00 0.00 O ATOM 1042 CB LYS A 69 1.774 -0.025 7.193 1.00 0.00 C ATOM 1043 CG LYS A 69 1.383 1.427 7.405 1.00 0.00 C ATOM 1044 CD LYS A 69 2.590 2.347 7.326 1.00 0.00 C ATOM 1045 CE LYS A 69 3.220 2.558 8.694 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.667 2.896 8.593 1.00 0.00 N ATOM 0 H LYS A 69 1.998 -2.471 6.944 1.00 0.00 H new ATOM 0 HA LYS A 69 1.192 -0.925 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.823 -0.153 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.682 -0.266 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.651 1.721 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.903 1.537 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.328 1.923 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.289 3.309 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.696 3.359 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.099 1.655 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.059 3.032 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.172 2.121 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.781 3.772 8.044 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.191 -1.312 6.868 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.609 -1.085 6.613 1.00 0.00 C ATOM 1062 C CYS A 70 -3.460 -1.610 7.765 1.00 0.00 C ATOM 1063 O CYS A 70 -4.316 -0.898 8.293 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.028 -1.760 5.306 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.215 -1.090 3.836 1.00 0.00 S ATOM 0 H CYS A 70 -0.752 -1.985 6.240 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.769 -0.010 6.527 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.811 -2.826 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.107 -1.661 5.188 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.921 -0.108 3.359 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.221 -2.859 8.149 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.967 -3.480 9.239 1.00 0.00 C ATOM 1073 C LEU A 71 -3.729 -2.741 10.552 1.00 0.00 C ATOM 1074 O LEU A 71 -4.529 -2.835 11.483 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.564 -4.948 9.386 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.661 -5.801 8.120 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.783 -7.037 8.241 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.107 -6.195 7.853 1.00 0.00 C ATOM 0 H LEU A 71 -2.517 -3.462 7.722 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.029 -3.423 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.537 -4.987 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.191 -5.401 10.154 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.305 -5.209 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.865 -7.632 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.746 -6.734 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.108 -7.632 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.158 -6.801 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.489 -6.769 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.711 -5.297 7.722 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.625 -2.006 10.619 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.282 -1.247 11.817 1.00 0.00 C ATOM 1092 C LYS A 72 -3.029 0.082 11.851 1.00 0.00 C ATOM 1093 O LYS A 72 -3.789 0.355 12.781 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.773 -0.998 11.873 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.321 -0.283 13.135 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.458 1.224 13.001 1.00 0.00 C ATOM 1097 CE LYS A 72 0.246 1.951 14.137 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.726 1.935 13.972 1.00 0.00 N ATOM 0 H LYS A 72 -1.952 -1.919 9.858 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.580 -1.833 12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.253 -1.953 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.478 -0.408 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.913 -0.629 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.718 -0.538 13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.039 1.545 12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.514 1.495 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.104 2.983 14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.019 1.485 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.161 2.565 14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.080 0.967 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.972 2.262 13.016 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.810 0.906 10.831 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.465 2.206 10.744 1.00 0.00 C ATOM 1114 C VAL A 73 -4.971 2.077 10.944 1.00 0.00 C ATOM 1115 O VAL A 73 -5.627 3.007 11.410 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.194 2.880 9.386 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.710 3.168 9.219 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.708 2.011 8.248 1.00 0.00 C ATOM 0 H VAL A 73 -2.184 0.696 10.053 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.048 2.825 11.538 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.729 3.829 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.538 3.644 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.376 3.833 10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.150 2.234 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.508 2.503 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.203 1.045 8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.782 1.861 8.361 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.513 0.916 10.587 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.938 0.686 10.735 1.00 0.00 C ATOM 1130 C GLY A 74 -7.507 -0.166 9.619 1.00 0.00 C ATOM 1131 O GLY A 74 -8.395 -0.987 9.846 1.00 0.00 O ATOM 0 H GLY A 74 -4.990 0.131 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.127 0.199 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.457 1.644 10.757 1.00 0.00 H new ATOM 1135 N MET A 75 -6.996 0.031 8.408 1.00 0.00 N ATOM 1136 CA MET A 75 -7.460 -0.727 7.251 1.00 0.00 C ATOM 1137 C MET A 75 -7.813 -2.158 7.644 1.00 0.00 C ATOM 1138 O MET A 75 -6.948 -2.927 8.065 1.00 0.00 O ATOM 1139 CB MET A 75 -6.390 -0.735 6.157 1.00 0.00 C ATOM 1140 CG MET A 75 -5.903 0.653 5.773 1.00 0.00 C ATOM 1141 SD MET A 75 -4.905 0.648 4.272 1.00 0.00 S ATOM 1142 CE MET A 75 -6.146 0.254 3.042 1.00 0.00 C ATOM 0 H MET A 75 -6.261 0.708 8.202 1.00 0.00 H new ATOM 0 HA MET A 75 -8.358 -0.243 6.867 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.541 -1.328 6.495 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.791 -1.228 5.272 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.762 1.309 5.631 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.317 1.068 6.593 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.698 -0.353 2.255 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.959 -0.301 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.537 1.176 2.612 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.087 -2.508 7.503 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.553 -3.847 7.845 1.00 0.00 C ATOM 1154 C ARG A 76 -9.664 -4.719 6.598 1.00 0.00 C ATOM 1155 O ARG A 76 -9.971 -4.229 5.512 1.00 0.00 O ATOM 1156 CB ARG A 76 -10.908 -3.773 8.551 1.00 0.00 C ATOM 1157 CG ARG A 76 -11.992 -3.105 7.721 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.008 -2.393 8.600 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.107 -3.273 8.989 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.113 -2.892 9.768 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.159 -1.654 10.239 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.076 -3.751 10.078 1.00 0.00 N ATOM 0 H ARG A 76 -9.815 -1.884 7.155 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.824 -4.298 8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.230 -4.782 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.791 -3.227 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.538 -2.390 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.498 -3.854 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.512 -2.015 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.406 -1.529 8.067 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.102 -4.233 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.421 -0.991 10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.933 -1.364 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.044 -4.705 9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.848 -3.457 10.676 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.411 -6.013 6.763 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.481 -6.953 5.651 1.00 0.00 C ATOM 1178 C ARG A 77 -10.931 -7.227 5.261 1.00 0.00 C ATOM 1179 O ARG A 77 -11.258 -7.317 4.078 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.785 -8.264 6.019 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.275 -8.138 6.145 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.630 -9.474 6.479 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.750 -10.429 5.381 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.659 -11.745 5.538 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.448 -12.259 6.742 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.780 -12.550 4.490 1.00 0.00 N ATOM 0 H ARG A 77 -9.156 -6.434 7.656 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.971 -6.506 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.191 -8.628 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.017 -9.013 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.862 -7.757 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.033 -7.412 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.576 -9.320 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.097 -9.889 7.373 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.913 -10.066 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.355 -11.644 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.379 -13.270 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.943 -12.159 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.710 -13.560 4.612 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.793 -7.359 6.264 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.207 -7.624 6.024 1.00 0.00 C ATOM 1202 C GLU A 78 -13.800 -6.593 5.068 1.00 0.00 C ATOM 1203 O GLU A 78 -14.725 -6.890 4.313 1.00 0.00 O ATOM 1204 CB GLU A 78 -13.981 -7.615 7.344 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.681 -6.409 8.218 1.00 0.00 C ATOM 1206 CD GLU A 78 -12.582 -6.679 9.227 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -11.695 -7.505 8.930 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -12.610 -6.064 10.314 1.00 0.00 O ATOM 0 H GLU A 78 -11.538 -7.287 7.249 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.293 -8.610 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.049 -7.640 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.746 -8.523 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.390 -5.570 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.588 -6.112 8.745 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.259 -5.379 5.107 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.732 -4.304 4.243 1.00 0.00 C ATOM 1217 C ALA A 79 -13.465 -4.621 2.776 1.00 0.00 C ATOM 1218 O ALA A 79 -14.339 -4.454 1.925 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.073 -2.988 4.630 1.00 0.00 C ATOM 0 H ALA A 79 -12.493 -5.116 5.727 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.810 -4.211 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.435 -2.194 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.320 -2.748 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.992 -3.078 4.526 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.251 -5.078 2.485 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.869 -5.418 1.120 1.00 0.00 C ATOM 1227 C VAL A 80 -12.847 -6.415 0.508 1.00 0.00 C ATOM 1228 O VAL A 80 -13.483 -6.132 -0.506 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.448 -6.010 1.066 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.189 -6.655 -0.288 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.413 -4.935 1.360 1.00 0.00 C ATOM 0 H VAL A 80 -11.515 -5.221 3.177 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.891 -4.492 0.545 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.365 -6.782 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.180 -7.068 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.911 -7.454 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.290 -5.906 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.414 -5.370 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.494 -4.140 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.588 -4.524 2.354 1.00 0.00 H new ATOM 1241 N GLN A 81 -12.961 -7.583 1.132 1.00 0.00 N ATOM 1242 CA GLN A 81 -13.861 -8.623 0.648 1.00 0.00 C ATOM 1243 C GLN A 81 -15.117 -8.013 0.033 1.00 0.00 C ATOM 1244 O GLN A 81 -16.009 -7.555 0.747 1.00 0.00 O ATOM 1245 CB GLN A 81 -14.245 -9.567 1.789 1.00 0.00 C ATOM 1246 CG GLN A 81 -13.050 -10.217 2.468 1.00 0.00 C ATOM 1247 CD GLN A 81 -13.427 -10.939 3.747 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -14.601 -11.003 4.114 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -12.432 -11.487 4.433 1.00 0.00 N ATOM 0 H GLN A 81 -12.442 -7.833 1.974 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.339 -9.190 -0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.817 -9.012 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.900 -10.347 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.586 -10.923 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.305 -9.454 2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.474 -11.410 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.625 -11.986 5.302 1.00 0.00 H new ATOM 1258 N ARG A 82 -15.178 -8.009 -1.294 1.00 0.00 N ATOM 1259 CA ARG A 82 -16.323 -7.453 -2.005 1.00 0.00 C ATOM 1260 C ARG A 82 -17.611 -8.166 -1.602 1.00 0.00 C ATOM 1261 O ARG A 82 -18.506 -7.565 -1.009 1.00 0.00 O ATOM 1262 CB ARG A 82 -16.117 -7.567 -3.516 1.00 0.00 C ATOM 1263 CG ARG A 82 -15.286 -6.438 -4.104 1.00 0.00 C ATOM 1264 CD ARG A 82 -15.121 -6.592 -5.608 1.00 0.00 C ATOM 1265 NE ARG A 82 -13.977 -7.432 -5.949 1.00 0.00 N ATOM 1266 CZ ARG A 82 -13.828 -8.028 -7.127 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -14.747 -7.877 -8.071 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -12.758 -8.777 -7.363 1.00 0.00 N ATOM 0 H ARG A 82 -14.448 -8.385 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.410 -6.400 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.632 -8.518 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.090 -7.584 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.762 -5.482 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.305 -6.421 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.028 -7.026 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.997 -5.609 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.252 -7.569 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.571 -7.302 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.630 -8.336 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.049 -8.896 -6.640 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.645 -9.234 -8.268 1.00 0.00 H new ATOM 1282 N GLY A 83 -17.697 -9.452 -1.928 1.00 0.00 N ATOM 1283 CA GLY A 83 -18.878 -10.225 -1.593 1.00 0.00 C ATOM 1284 C GLY A 83 -19.123 -10.292 -0.098 1.00 0.00 C ATOM 1285 O GLY A 83 -18.194 -10.148 0.696 1.00 0.00 O ATOM 0 H GLY A 83 -16.969 -9.972 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -19.747 -9.784 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -18.770 -11.236 -1.986 1.00 0.00 H new ATOM 1289 N SER A 84 -20.377 -10.509 0.285 1.00 0.00 N ATOM 1290 CA SER A 84 -20.742 -10.589 1.695 1.00 0.00 C ATOM 1291 C SER A 84 -20.744 -12.037 2.174 1.00 0.00 C ATOM 1292 O SER A 84 -21.725 -12.759 2.002 1.00 0.00 O ATOM 1293 CB SER A 84 -22.119 -9.962 1.923 1.00 0.00 C ATOM 1294 OG SER A 84 -22.414 -9.867 3.306 1.00 0.00 O ATOM 0 H SER A 84 -21.157 -10.633 -0.361 1.00 0.00 H new ATOM 0 HA SER A 84 -19.999 -10.036 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.149 -8.970 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.882 -10.561 1.426 1.00 0.00 H new ATOM 0 HG SER A 84 -23.298 -9.462 3.425 1.00 0.00 H new ATOM 1300 N GLY A 85 -19.636 -12.455 2.779 1.00 0.00 N ATOM 1301 CA GLY A 85 -19.529 -13.815 3.274 1.00 0.00 C ATOM 1302 C GLY A 85 -20.132 -13.978 4.655 1.00 0.00 C ATOM 1303 O GLY A 85 -21.030 -13.236 5.055 1.00 0.00 O ATOM 0 H GLY A 85 -18.811 -11.876 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -20.029 -14.491 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.479 -14.107 3.303 1.00 0.00 H new ATOM 1307 N PRO A 86 -19.636 -14.970 5.409 1.00 0.00 N ATOM 1308 CA PRO A 86 -20.118 -15.252 6.764 1.00 0.00 C ATOM 1309 C PRO A 86 -19.721 -14.166 7.758 1.00 0.00 C ATOM 1310 O PRO A 86 -20.410 -13.941 8.753 1.00 0.00 O ATOM 1311 CB PRO A 86 -19.434 -16.575 7.116 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.207 -16.603 6.272 1.00 0.00 C ATOM 1313 CD PRO A 86 -18.565 -15.893 4.996 1.00 0.00 C ATOM 0 HA PRO A 86 -21.206 -15.294 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -19.186 -16.623 8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.082 -17.425 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.376 -16.107 6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.893 -17.628 6.073 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -17.711 -15.358 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.908 -16.590 4.231 1.00 0.00 H new ATOM 1321 N SER A 87 -18.607 -13.496 7.482 1.00 0.00 N ATOM 1322 CA SER A 87 -18.117 -12.435 8.354 1.00 0.00 C ATOM 1323 C SER A 87 -18.713 -11.088 7.960 1.00 0.00 C ATOM 1324 O SER A 87 -18.328 -10.498 6.950 1.00 0.00 O ATOM 1325 CB SER A 87 -16.589 -12.366 8.299 1.00 0.00 C ATOM 1326 OG SER A 87 -16.135 -12.180 6.970 1.00 0.00 O ATOM 0 H SER A 87 -18.027 -13.669 6.661 1.00 0.00 H new ATOM 0 HA SER A 87 -18.427 -12.664 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.236 -11.547 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 87 -16.165 -13.284 8.706 1.00 0.00 H new ATOM 0 HG SER A 87 -16.734 -11.560 6.504 1.00 0.00 H new ATOM 1332 N SER A 88 -19.656 -10.607 8.764 1.00 0.00 N ATOM 1333 CA SER A 88 -20.309 -9.331 8.497 1.00 0.00 C ATOM 1334 C SER A 88 -20.236 -8.418 9.718 1.00 0.00 C ATOM 1335 O SER A 88 -19.860 -7.251 9.613 1.00 0.00 O ATOM 1336 CB SER A 88 -21.770 -9.554 8.101 1.00 0.00 C ATOM 1337 OG SER A 88 -21.878 -9.911 6.734 1.00 0.00 O ATOM 0 H SER A 88 -19.985 -11.081 9.605 1.00 0.00 H new ATOM 0 HA SER A 88 -19.786 -8.849 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 88 -22.202 -10.340 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 88 -22.344 -8.647 8.290 1.00 0.00 H new ATOM 0 HG SER A 88 -22.821 -10.050 6.506 1.00 0.00 H new ATOM 1343 N GLY A 89 -20.599 -8.959 10.877 1.00 0.00 N ATOM 1344 CA GLY A 89 -20.568 -8.180 12.101 1.00 0.00 C ATOM 1345 C GLY A 89 -19.207 -8.203 12.768 1.00 0.00 C ATOM 1346 O GLY A 89 -19.000 -9.000 13.681 1.00 0.00 O ATOM 0 H GLY A 89 -20.914 -9.923 10.990 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.843 -7.149 11.879 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.315 -8.567 12.794 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.360 5.494 0.262 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 9.854 -4.515 5.513 1.00 0.00 ZN