USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -4.36! C(o=-5!,f=-16!) USER MOD Set 2.2: A 31 SER OG : rot -37:sc= -0.686! USER MOD Set 3.1: A 25 SER OG : rot -29:sc= 1.37 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -5.74! C(o=-4.4!,f=-8.2!) USER MOD Single : A 1 ASP N :NH3+ 173:sc= 0.989 (180deg=0.853) USER MOD Single : A 4 SER OG : rot -51:sc= 0.843 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.255 F(o=-1.5,f=-0.26) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.402! USER MOD Single : A 18 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.78) USER MOD Single : A 21 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -121:sc= 0.155 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.129 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 156:sc= -0.821! USER MOD Single : A 59 TYR OH : rot 180:sc= -0.339 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.121) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.606 8.061 -14.492 1.00 0.00 N ATOM 2 CA ASP A 1 16.162 8.088 -13.117 1.00 0.00 C ATOM 3 C ASP A 1 15.933 6.746 -12.433 1.00 0.00 C ATOM 4 O ASP A 1 14.836 6.443 -12.006 1.00 0.00 O ATOM 5 CB ASP A 1 15.463 9.181 -12.295 1.00 0.00 C ATOM 6 CG ASP A 1 13.970 9.187 -12.628 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.519 8.160 -13.107 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.366 10.219 -12.386 1.00 0.00 O ATOM 0 H1 ASP A 1 15.660 9.013 -14.907 1.00 0.00 H new ATOM 0 H2 ASP A 1 16.154 7.397 -15.075 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.613 7.754 -14.459 1.00 0.00 H new ATOM 0 HA ASP A 1 17.231 8.292 -13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 1 15.609 9.001 -11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 1 15.901 10.154 -12.516 1.00 0.00 H new ATOM 15 N ASP A 2 16.973 5.963 -12.343 1.00 0.00 N ATOM 16 CA ASP A 2 16.833 4.638 -11.690 1.00 0.00 C ATOM 17 C ASP A 2 18.186 4.140 -11.184 1.00 0.00 C ATOM 18 O ASP A 2 18.411 2.951 -11.068 1.00 0.00 O ATOM 19 CB ASP A 2 16.285 3.647 -12.729 1.00 0.00 C ATOM 20 CG ASP A 2 15.012 2.995 -12.181 1.00 0.00 C ATOM 21 OD1 ASP A 2 13.964 3.572 -12.415 1.00 0.00 O ATOM 22 OD2 ASP A 2 15.162 1.958 -11.557 1.00 0.00 O ATOM 0 H ASP A 2 17.906 6.184 -12.692 1.00 0.00 H new ATOM 0 HA ASP A 2 16.157 4.722 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.069 4.164 -13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.032 2.885 -12.951 1.00 0.00 H new ATOM 27 N GLU A 3 19.061 5.066 -10.889 1.00 0.00 N ATOM 28 CA GLU A 3 20.404 4.673 -10.390 1.00 0.00 C ATOM 29 C GLU A 3 20.301 3.544 -9.371 1.00 0.00 C ATOM 30 O GLU A 3 19.316 3.423 -8.669 1.00 0.00 O ATOM 31 CB GLU A 3 21.042 5.891 -9.710 1.00 0.00 C ATOM 32 CG GLU A 3 22.096 6.490 -10.642 1.00 0.00 C ATOM 33 CD GLU A 3 22.461 7.894 -10.155 1.00 0.00 C ATOM 34 OE1 GLU A 3 22.140 8.171 -9.011 1.00 0.00 O ATOM 35 OE2 GLU A 3 23.044 8.608 -10.954 1.00 0.00 O ATOM 0 H GLU A 3 18.902 6.070 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 3 21.006 4.329 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.279 6.634 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 3 21.499 5.597 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 3 22.983 5.857 -10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.714 6.534 -11.662 1.00 0.00 H new ATOM 42 N SER A 4 21.324 2.737 -9.307 1.00 0.00 N ATOM 43 CA SER A 4 21.305 1.611 -8.340 1.00 0.00 C ATOM 44 C SER A 4 21.816 2.054 -6.973 1.00 0.00 C ATOM 45 O SER A 4 22.394 1.275 -6.243 1.00 0.00 O ATOM 46 CB SER A 4 22.227 0.503 -8.871 1.00 0.00 C ATOM 47 OG SER A 4 21.943 -0.614 -8.039 1.00 0.00 O ATOM 0 H SER A 4 22.165 2.810 -9.879 1.00 0.00 H new ATOM 0 HA SER A 4 20.280 1.257 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.022 0.282 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.276 0.792 -8.806 1.00 0.00 H new ATOM 0 HG SER A 4 22.002 -0.345 -7.099 1.00 0.00 H new ATOM 53 N SER A 5 21.594 3.298 -6.649 1.00 0.00 N ATOM 54 CA SER A 5 22.063 3.800 -5.333 1.00 0.00 C ATOM 55 C SER A 5 21.112 3.369 -4.222 1.00 0.00 C ATOM 56 O SER A 5 21.354 3.625 -3.059 1.00 0.00 O ATOM 57 CB SER A 5 22.101 5.334 -5.384 1.00 0.00 C ATOM 58 OG SER A 5 21.064 5.738 -4.503 1.00 0.00 O ATOM 0 H SER A 5 21.113 3.981 -7.234 1.00 0.00 H new ATOM 0 HA SER A 5 23.052 3.391 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.069 5.719 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.931 5.703 -6.395 1.00 0.00 H new ATOM 0 HG SER A 5 21.021 6.717 -4.476 1.00 0.00 H new ATOM 64 N LYS A 6 20.048 2.719 -4.603 1.00 0.00 N ATOM 65 CA LYS A 6 19.069 2.260 -3.594 1.00 0.00 C ATOM 66 C LYS A 6 19.775 1.468 -2.470 1.00 0.00 C ATOM 67 O LYS A 6 20.823 0.895 -2.692 1.00 0.00 O ATOM 68 CB LYS A 6 18.070 1.327 -4.301 1.00 0.00 C ATOM 69 CG LYS A 6 16.959 2.168 -4.935 1.00 0.00 C ATOM 70 CD LYS A 6 16.449 1.461 -6.194 1.00 0.00 C ATOM 71 CE LYS A 6 15.238 2.222 -6.743 1.00 0.00 C ATOM 72 NZ LYS A 6 13.970 1.615 -6.248 1.00 0.00 N ATOM 0 H LYS A 6 19.819 2.489 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 6 18.568 3.122 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.580 0.741 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.646 0.621 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.143 2.308 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.336 3.159 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.237 1.417 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.173 0.433 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.290 3.268 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.255 2.206 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.160 2.143 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.915 0.624 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.949 1.653 -5.209 1.00 0.00 H new ATOM 86 N PRO A 7 19.189 1.449 -1.272 1.00 0.00 N ATOM 87 CA PRO A 7 19.786 0.720 -0.150 1.00 0.00 C ATOM 88 C PRO A 7 19.947 -0.754 -0.492 1.00 0.00 C ATOM 89 O PRO A 7 19.160 -1.307 -1.235 1.00 0.00 O ATOM 90 CB PRO A 7 18.777 0.871 1.006 1.00 0.00 C ATOM 91 CG PRO A 7 17.564 1.678 0.464 1.00 0.00 C ATOM 92 CD PRO A 7 17.918 2.133 -0.960 1.00 0.00 C ATOM 0 HA PRO A 7 20.775 1.106 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.457 -0.107 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.235 1.387 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.664 1.062 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.358 2.537 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 7 17.137 1.858 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.029 3.216 -1.013 1.00 0.00 H new ATOM 100 N CYS A 8 20.957 -1.370 0.054 1.00 0.00 N ATOM 101 CA CYS A 8 21.165 -2.808 -0.241 1.00 0.00 C ATOM 102 C CYS A 8 21.797 -3.530 0.924 1.00 0.00 C ATOM 103 O CYS A 8 21.732 -3.092 2.054 1.00 0.00 O ATOM 104 CB CYS A 8 22.093 -2.927 -1.453 1.00 0.00 C ATOM 105 SG CYS A 8 23.865 -3.183 -1.154 1.00 0.00 S ATOM 0 H CYS A 8 21.638 -0.944 0.683 1.00 0.00 H new ATOM 0 HA CYS A 8 20.194 -3.262 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.736 -3.754 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.983 -2.020 -2.047 1.00 0.00 H new ATOM 110 N CYS A 9 22.402 -4.632 0.615 1.00 0.00 N ATOM 111 CA CYS A 9 23.063 -5.431 1.689 1.00 0.00 C ATOM 112 C CYS A 9 24.328 -6.108 1.192 1.00 0.00 C ATOM 113 O CYS A 9 24.511 -6.310 0.017 1.00 0.00 O ATOM 114 CB CYS A 9 22.097 -6.537 2.142 1.00 0.00 C ATOM 115 SG CYS A 9 21.528 -6.512 3.855 1.00 0.00 S ATOM 0 H CYS A 9 22.472 -5.019 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 9 23.320 -4.751 2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.219 -6.499 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.581 -7.497 1.964 1.00 0.00 H new ATOM 120 N ASP A 10 25.183 -6.436 2.111 1.00 0.00 N ATOM 121 CA ASP A 10 26.445 -7.107 1.734 1.00 0.00 C ATOM 122 C ASP A 10 26.809 -8.085 2.833 1.00 0.00 C ATOM 123 O ASP A 10 27.031 -9.255 2.593 1.00 0.00 O ATOM 124 CB ASP A 10 27.556 -6.051 1.611 1.00 0.00 C ATOM 125 CG ASP A 10 27.078 -4.911 0.711 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.301 -5.035 -0.482 1.00 0.00 O ATOM 127 OD2 ASP A 10 26.518 -3.980 1.267 1.00 0.00 O ATOM 0 H ASP A 10 25.060 -6.267 3.109 1.00 0.00 H new ATOM 0 HA ASP A 10 26.330 -7.630 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.817 -5.666 2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.457 -6.502 1.196 1.00 0.00 H new ATOM 132 N GLN A 11 26.855 -7.562 4.022 1.00 0.00 N ATOM 133 CA GLN A 11 27.189 -8.387 5.198 1.00 0.00 C ATOM 134 C GLN A 11 26.022 -8.302 6.153 1.00 0.00 C ATOM 135 O GLN A 11 25.906 -7.366 6.921 1.00 0.00 O ATOM 136 CB GLN A 11 28.430 -7.814 5.880 1.00 0.00 C ATOM 137 CG GLN A 11 29.540 -7.621 4.843 1.00 0.00 C ATOM 138 CD GLN A 11 29.972 -8.989 4.304 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.652 -9.320 3.082 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 30.604 -9.767 4.991 1.00 0.00 N flip ATOM 0 H GLN A 11 26.671 -6.580 4.227 1.00 0.00 H new ATOM 0 HA GLN A 11 27.383 -9.419 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.191 -6.862 6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.768 -8.486 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.186 -6.991 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 11 30.390 -7.110 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.857 -9.514 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 11 30.881 -10.673 4.612 1.00 0.00 H new ATOM 149 N CYS A 12 25.170 -9.262 6.071 1.00 0.00 N ATOM 150 CA CYS A 12 23.991 -9.264 6.959 1.00 0.00 C ATOM 151 C CYS A 12 24.271 -10.013 8.260 1.00 0.00 C ATOM 152 O CYS A 12 25.055 -10.941 8.293 1.00 0.00 O ATOM 153 CB CYS A 12 22.855 -9.963 6.214 1.00 0.00 C ATOM 154 SG CYS A 12 21.399 -8.967 5.831 1.00 0.00 S ATOM 0 H CYS A 12 25.235 -10.050 5.427 1.00 0.00 H new ATOM 0 HA CYS A 12 23.732 -8.237 7.216 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.253 -10.356 5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.535 -10.819 6.809 1.00 0.00 H new ATOM 159 N ALA A 13 23.620 -9.587 9.307 1.00 0.00 N ATOM 160 CA ALA A 13 23.820 -10.247 10.622 1.00 0.00 C ATOM 161 C ALA A 13 22.601 -10.022 11.506 1.00 0.00 C ATOM 162 O ALA A 13 22.358 -8.913 11.944 1.00 0.00 O ATOM 163 CB ALA A 13 25.041 -9.613 11.299 1.00 0.00 C ATOM 0 H ALA A 13 22.959 -8.810 9.306 1.00 0.00 H new ATOM 0 HA ALA A 13 23.968 -11.317 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.205 -10.084 12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.921 -9.757 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.866 -8.546 11.439 1.00 0.00 H new ATOM 169 N CYS A 14 21.852 -11.077 11.751 1.00 0.00 N ATOM 170 CA CYS A 14 20.656 -10.940 12.593 1.00 0.00 C ATOM 171 C CYS A 14 20.811 -11.602 13.943 1.00 0.00 C ATOM 172 O CYS A 14 21.634 -12.478 14.126 1.00 0.00 O ATOM 173 CB CYS A 14 19.504 -11.603 11.853 1.00 0.00 C ATOM 174 SG CYS A 14 18.943 -10.828 10.316 1.00 0.00 S ATOM 0 H CYS A 14 22.032 -12.017 11.397 1.00 0.00 H new ATOM 0 HA CYS A 14 20.481 -9.880 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.796 -12.628 11.626 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.654 -11.657 12.533 1.00 0.00 H new ATOM 179 N THR A 15 19.998 -11.152 14.867 1.00 0.00 N ATOM 180 CA THR A 15 20.041 -11.718 16.239 1.00 0.00 C ATOM 181 C THR A 15 18.651 -12.186 16.656 1.00 0.00 C ATOM 182 O THR A 15 17.659 -11.552 16.343 1.00 0.00 O ATOM 183 CB THR A 15 20.544 -10.620 17.204 1.00 0.00 C ATOM 184 OG1 THR A 15 21.376 -11.294 18.126 1.00 0.00 O ATOM 185 CG2 THR A 15 19.410 -10.037 18.074 1.00 0.00 C ATOM 0 H THR A 15 19.307 -10.415 14.724 1.00 0.00 H new ATOM 0 HA THR A 15 20.713 -12.575 16.268 1.00 0.00 H new ATOM 0 HB THR A 15 21.008 -9.824 16.622 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.735 -10.652 18.773 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.815 -9.270 18.734 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.648 -9.596 17.431 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.965 -10.832 18.672 1.00 0.00 H new ATOM 193 N LYS A 16 18.600 -13.290 17.347 1.00 0.00 N ATOM 194 CA LYS A 16 17.284 -13.810 17.787 1.00 0.00 C ATOM 195 C LYS A 16 16.722 -12.984 18.940 1.00 0.00 C ATOM 196 O LYS A 16 16.895 -13.329 20.092 1.00 0.00 O ATOM 197 CB LYS A 16 17.471 -15.261 18.258 1.00 0.00 C ATOM 198 CG LYS A 16 17.122 -16.207 17.106 1.00 0.00 C ATOM 199 CD LYS A 16 17.426 -17.647 17.527 1.00 0.00 C ATOM 200 CE LYS A 16 16.794 -18.610 16.520 1.00 0.00 C ATOM 201 NZ LYS A 16 16.984 -20.019 16.962 1.00 0.00 N ATOM 0 H LYS A 16 19.408 -13.848 17.623 1.00 0.00 H new ATOM 0 HA LYS A 16 16.585 -13.754 16.953 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.500 -15.423 18.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.832 -15.463 19.118 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.069 -16.107 16.844 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.698 -15.946 16.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.503 -17.805 17.573 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.033 -17.837 18.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.730 -18.394 16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.244 -18.466 15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.550 -20.662 16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.001 -20.225 17.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.534 -20.155 17.890 1.00 0.00 H new ATOM 215 N SER A 17 16.058 -11.905 18.598 1.00 0.00 N ATOM 216 CA SER A 17 15.468 -11.028 19.648 1.00 0.00 C ATOM 217 C SER A 17 13.940 -11.094 19.597 1.00 0.00 C ATOM 218 O SER A 17 13.383 -11.980 18.979 1.00 0.00 O ATOM 219 CB SER A 17 15.932 -9.583 19.390 1.00 0.00 C ATOM 220 OG SER A 17 15.441 -8.851 20.503 1.00 0.00 O ATOM 0 H SER A 17 15.902 -11.598 17.638 1.00 0.00 H new ATOM 0 HA SER A 17 15.795 -11.362 20.633 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.018 -9.521 19.321 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.530 -9.198 18.453 1.00 0.00 H new ATOM 0 HG SER A 17 15.699 -7.910 20.415 1.00 0.00 H new ATOM 226 N ASN A 18 13.288 -10.160 20.245 1.00 0.00 N ATOM 227 CA ASN A 18 11.799 -10.171 20.234 1.00 0.00 C ATOM 228 C ASN A 18 11.216 -8.736 20.247 1.00 0.00 C ATOM 229 O ASN A 18 11.075 -8.154 21.305 1.00 0.00 O ATOM 230 CB ASN A 18 11.332 -10.875 21.520 1.00 0.00 C ATOM 231 CG ASN A 18 9.890 -10.460 21.829 1.00 0.00 C ATOM 232 OD1 ASN A 18 9.018 -10.533 20.985 1.00 0.00 O ATOM 233 ND2 ASN A 18 9.597 -10.019 23.023 1.00 0.00 N ATOM 0 H ASN A 18 13.719 -9.401 20.774 1.00 0.00 H new ATOM 0 HA ASN A 18 11.459 -10.677 19.330 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.393 -11.957 21.399 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.985 -10.610 22.351 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.641 -9.738 23.243 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.324 -9.955 23.736 1.00 0.00 H new ATOM 240 N PRO A 19 10.875 -8.170 19.077 1.00 0.00 N ATOM 241 CA PRO A 19 11.018 -8.812 17.749 1.00 0.00 C ATOM 242 C PRO A 19 12.495 -9.008 17.385 1.00 0.00 C ATOM 243 O PRO A 19 13.362 -8.445 18.019 1.00 0.00 O ATOM 244 CB PRO A 19 10.400 -7.799 16.761 1.00 0.00 C ATOM 245 CG PRO A 19 9.993 -6.538 17.571 1.00 0.00 C ATOM 246 CD PRO A 19 10.307 -6.816 19.046 1.00 0.00 C ATOM 0 HA PRO A 19 10.542 -9.793 17.730 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.117 -7.538 15.982 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.532 -8.231 16.264 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.542 -5.664 17.220 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.933 -6.323 17.439 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.012 -6.085 19.442 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.407 -6.754 19.658 1.00 0.00 H new ATOM 254 N PRO A 20 12.758 -9.799 16.357 1.00 0.00 N ATOM 255 CA PRO A 20 14.133 -10.054 15.921 1.00 0.00 C ATOM 256 C PRO A 20 14.799 -8.764 15.466 1.00 0.00 C ATOM 257 O PRO A 20 14.128 -7.794 15.173 1.00 0.00 O ATOM 258 CB PRO A 20 13.999 -11.005 14.716 1.00 0.00 C ATOM 259 CG PRO A 20 12.480 -11.197 14.438 1.00 0.00 C ATOM 260 CD PRO A 20 11.716 -10.479 15.563 1.00 0.00 C ATOM 0 HA PRO A 20 14.738 -10.470 16.727 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.499 -10.589 13.842 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.474 -11.963 14.929 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.212 -10.783 13.466 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.224 -12.256 14.415 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.998 -9.765 15.160 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.154 -11.186 16.173 1.00 0.00 H new ATOM 268 N GLN A 21 16.106 -8.780 15.416 1.00 0.00 N ATOM 269 CA GLN A 21 16.850 -7.567 14.980 1.00 0.00 C ATOM 270 C GLN A 21 17.747 -7.945 13.825 1.00 0.00 C ATOM 271 O GLN A 21 18.291 -9.032 13.807 1.00 0.00 O ATOM 272 CB GLN A 21 17.684 -7.039 16.182 1.00 0.00 C ATOM 273 CG GLN A 21 19.195 -7.217 15.940 1.00 0.00 C ATOM 274 CD GLN A 21 19.947 -6.768 17.194 1.00 0.00 C ATOM 275 OE1 GLN A 21 19.352 -6.378 18.180 1.00 0.00 O ATOM 276 NE2 GLN A 21 21.251 -6.803 17.202 1.00 0.00 N ATOM 0 H GLN A 21 16.688 -9.582 15.659 1.00 0.00 H new ATOM 0 HA GLN A 21 16.168 -6.782 14.654 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.462 -5.984 16.345 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.394 -7.570 17.089 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.422 -8.259 15.716 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.512 -6.629 15.078 1.00 0.00 H new ATOM 0 HE21 GLN A 21 21.757 -7.129 16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 21.764 -6.504 18.031 1.00 0.00 H new ATOM 285 N CYS A 22 17.896 -7.060 12.873 1.00 0.00 N ATOM 286 CA CYS A 22 18.767 -7.411 11.728 1.00 0.00 C ATOM 287 C CYS A 22 19.513 -6.229 11.137 1.00 0.00 C ATOM 288 O CYS A 22 18.938 -5.396 10.473 1.00 0.00 O ATOM 289 CB CYS A 22 17.885 -8.015 10.640 1.00 0.00 C ATOM 290 SG CYS A 22 17.344 -9.726 10.868 1.00 0.00 S ATOM 0 H CYS A 22 17.463 -6.137 12.843 1.00 0.00 H new ATOM 0 HA CYS A 22 19.522 -8.105 12.097 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.997 -7.391 10.540 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.425 -7.955 9.695 1.00 0.00 H new ATOM 295 N ARG A 23 20.795 -6.197 11.387 1.00 0.00 N ATOM 296 CA ARG A 23 21.630 -5.105 10.862 1.00 0.00 C ATOM 297 C ARG A 23 22.440 -5.635 9.692 1.00 0.00 C ATOM 298 O ARG A 23 22.747 -6.811 9.643 1.00 0.00 O ATOM 299 CB ARG A 23 22.565 -4.652 11.983 1.00 0.00 C ATOM 300 CG ARG A 23 23.769 -5.592 12.068 1.00 0.00 C ATOM 301 CD ARG A 23 24.385 -5.480 13.468 1.00 0.00 C ATOM 302 NE ARG A 23 25.736 -6.106 13.462 1.00 0.00 N ATOM 303 CZ ARG A 23 26.335 -6.351 14.597 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.017 -7.431 15.257 1.00 0.00 N ATOM 305 NH2 ARG A 23 27.229 -5.507 15.033 1.00 0.00 N ATOM 0 H ARG A 23 21.294 -6.894 11.940 1.00 0.00 H new ATOM 0 HA ARG A 23 21.021 -4.267 10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.901 -3.632 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.031 -4.644 12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.461 -6.619 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.506 -5.331 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.458 -4.433 13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 23 23.746 -5.974 14.200 1.00 0.00 H new ATOM 0 HE ARG A 23 26.190 -6.342 12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.312 -8.067 14.885 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.474 -7.639 16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 27.450 -4.672 14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.707 -5.682 15.917 1.00 0.00 H new ATOM 319 N CYS A 24 22.778 -4.781 8.771 1.00 0.00 N ATOM 320 CA CYS A 24 23.565 -5.271 7.617 1.00 0.00 C ATOM 321 C CYS A 24 24.452 -4.196 7.021 1.00 0.00 C ATOM 322 O CYS A 24 24.470 -3.070 7.477 1.00 0.00 O ATOM 323 CB CYS A 24 22.562 -5.728 6.558 1.00 0.00 C ATOM 324 SG CYS A 24 23.202 -6.228 4.946 1.00 0.00 S ATOM 0 H CYS A 24 22.549 -3.787 8.767 1.00 0.00 H new ATOM 0 HA CYS A 24 24.220 -6.076 7.950 1.00 0.00 H new ATOM 0 HB2 CYS A 24 22.001 -6.567 6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.852 -4.917 6.398 1.00 0.00 H new ATOM 329 N SER A 25 25.182 -4.572 6.004 1.00 0.00 N ATOM 330 CA SER A 25 26.084 -3.586 5.354 1.00 0.00 C ATOM 331 C SER A 25 26.871 -2.848 6.420 1.00 0.00 C ATOM 332 O SER A 25 27.223 -1.694 6.273 1.00 0.00 O ATOM 333 CB SER A 25 25.228 -2.587 4.572 1.00 0.00 C ATOM 334 OG SER A 25 26.035 -2.236 3.459 1.00 0.00 O ATOM 0 H SER A 25 25.191 -5.509 5.601 1.00 0.00 H new ATOM 0 HA SER A 25 26.775 -4.094 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.285 -3.032 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.982 -1.714 5.177 1.00 0.00 H new ATOM 0 HG SER A 25 26.981 -2.313 3.703 1.00 0.00 H new ATOM 340 N ASP A 26 27.126 -3.555 7.472 1.00 0.00 N ATOM 341 CA ASP A 26 27.888 -2.981 8.612 1.00 0.00 C ATOM 342 C ASP A 26 29.344 -3.283 8.466 1.00 0.00 C ATOM 343 O ASP A 26 30.005 -3.549 9.418 1.00 0.00 O ATOM 344 CB ASP A 26 27.332 -3.665 9.864 1.00 0.00 C ATOM 345 CG ASP A 26 28.147 -3.328 11.125 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.852 -2.305 11.709 1.00 0.00 O ATOM 347 OD2 ASP A 26 29.006 -4.132 11.440 1.00 0.00 O ATOM 0 H ASP A 26 26.836 -4.525 7.597 1.00 0.00 H new ATOM 0 HA ASP A 26 27.785 -1.897 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 26 26.296 -3.360 10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.329 -4.745 9.714 1.00 0.00 H new ATOM 352 N MET A 27 29.827 -3.006 7.303 1.00 0.00 N ATOM 353 CA MET A 27 31.273 -3.269 6.990 1.00 0.00 C ATOM 354 C MET A 27 32.269 -2.388 7.664 1.00 0.00 C ATOM 355 O MET A 27 32.174 -2.100 8.824 1.00 0.00 O ATOM 356 CB MET A 27 31.465 -3.123 5.468 1.00 0.00 C ATOM 357 CG MET A 27 30.304 -3.795 4.726 1.00 0.00 C ATOM 358 SD MET A 27 29.085 -2.709 3.947 1.00 0.00 S ATOM 359 CE MET A 27 30.038 -2.335 2.453 1.00 0.00 C ATOM 0 H MET A 27 29.289 -2.603 6.536 1.00 0.00 H new ATOM 0 HA MET A 27 31.470 -4.271 7.371 1.00 0.00 H new ATOM 0 HB2 MET A 27 31.517 -2.068 5.199 1.00 0.00 H new ATOM 0 HB3 MET A 27 32.410 -3.575 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 27 30.724 -4.440 3.954 1.00 0.00 H new ATOM 0 HG3 MET A 27 29.780 -4.440 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 27 29.464 -1.665 1.813 1.00 0.00 H new ATOM 0 HE2 MET A 27 30.977 -1.856 2.731 1.00 0.00 H new ATOM 0 HE3 MET A 27 30.248 -3.259 1.914 1.00 0.00 H new ATOM 369 N ARG A 28 33.223 -2.006 6.912 1.00 0.00 N ATOM 370 CA ARG A 28 34.273 -1.157 7.430 1.00 0.00 C ATOM 371 C ARG A 28 35.006 -0.518 6.271 1.00 0.00 C ATOM 372 O ARG A 28 36.205 -0.415 6.277 1.00 0.00 O ATOM 373 CB ARG A 28 35.235 -2.053 8.203 1.00 0.00 C ATOM 374 CG ARG A 28 35.315 -3.414 7.493 1.00 0.00 C ATOM 375 CD ARG A 28 36.607 -4.136 7.889 1.00 0.00 C ATOM 376 NE ARG A 28 36.752 -5.356 7.044 1.00 0.00 N ATOM 377 CZ ARG A 28 36.309 -6.500 7.490 1.00 0.00 C ATOM 378 NH1 ARG A 28 37.032 -7.167 8.345 1.00 0.00 N ATOM 379 NH2 ARG A 28 35.154 -6.940 7.064 1.00 0.00 N ATOM 0 H ARG A 28 33.319 -2.257 5.928 1.00 0.00 H new ATOM 0 HA ARG A 28 33.868 -0.375 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 28 36.222 -1.594 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 28 34.891 -2.181 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 34.452 -4.024 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 28 35.284 -3.272 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 28 37.465 -3.478 7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 28 36.579 -4.408 8.944 1.00 0.00 H new ATOM 0 HE ARG A 28 37.193 -5.297 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 28 37.929 -6.793 8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 28 36.701 -8.063 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 28 34.615 -6.391 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 28 34.792 -7.832 7.402 1.00 0.00 H new ATOM 393 N LEU A 29 34.253 -0.114 5.286 1.00 0.00 N ATOM 394 CA LEU A 29 34.867 0.534 4.084 1.00 0.00 C ATOM 395 C LEU A 29 34.485 2.013 4.015 1.00 0.00 C ATOM 396 O LEU A 29 34.092 2.590 4.991 1.00 0.00 O ATOM 397 CB LEU A 29 34.361 -0.198 2.813 1.00 0.00 C ATOM 398 CG LEU A 29 35.545 -0.597 1.884 1.00 0.00 C ATOM 399 CD1 LEU A 29 36.205 0.661 1.307 1.00 0.00 C ATOM 400 CD2 LEU A 29 36.597 -1.409 2.660 1.00 0.00 C ATOM 0 H LEU A 29 33.237 -0.203 5.258 1.00 0.00 H new ATOM 0 HA LEU A 29 35.953 0.465 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 29 33.805 -1.090 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 29 33.670 0.447 2.270 1.00 0.00 H new ATOM 0 HG LEU A 29 35.150 -1.211 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.032 0.373 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 29 35.472 1.225 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.581 1.281 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.415 -1.677 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.983 -0.810 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.138 -2.316 3.054 1.00 0.00 H new ATOM 412 N ASN A 30 34.609 2.595 2.873 1.00 0.00 N ATOM 413 CA ASN A 30 34.258 4.031 2.749 1.00 0.00 C ATOM 414 C ASN A 30 32.777 4.291 2.491 1.00 0.00 C ATOM 415 O ASN A 30 32.183 3.749 1.581 1.00 0.00 O ATOM 416 CB ASN A 30 35.048 4.606 1.581 1.00 0.00 C ATOM 417 CG ASN A 30 34.999 6.129 1.637 1.00 0.00 C ATOM 418 OD1 ASN A 30 34.234 6.711 2.381 1.00 0.00 O ATOM 419 ND2 ASN A 30 35.796 6.812 0.868 1.00 0.00 N ATOM 0 H ASN A 30 34.937 2.147 2.017 1.00 0.00 H new ATOM 0 HA ASN A 30 34.499 4.501 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 30 36.082 4.263 1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.633 4.252 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.777 7.832 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 30 36.440 6.328 0.242 1.00 0.00 H new ATOM 426 N SER A 31 32.235 5.148 3.315 1.00 0.00 N ATOM 427 CA SER A 31 30.794 5.533 3.214 1.00 0.00 C ATOM 428 C SER A 31 29.827 4.354 3.139 1.00 0.00 C ATOM 429 O SER A 31 30.112 3.327 2.560 1.00 0.00 O ATOM 430 CB SER A 31 30.616 6.368 1.944 1.00 0.00 C ATOM 431 OG SER A 31 31.936 6.754 1.592 1.00 0.00 O ATOM 0 H SER A 31 32.741 5.608 4.071 1.00 0.00 H new ATOM 0 HA SER A 31 30.553 6.078 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.145 5.789 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.982 7.236 2.124 1.00 0.00 H new ATOM 0 HG SER A 31 32.449 6.944 2.405 1.00 0.00 H new ATOM 437 N CYS A 32 28.682 4.552 3.744 1.00 0.00 N ATOM 438 CA CYS A 32 27.639 3.495 3.750 1.00 0.00 C ATOM 439 C CYS A 32 26.570 3.850 2.711 1.00 0.00 C ATOM 440 O CYS A 32 26.629 4.909 2.116 1.00 0.00 O ATOM 441 CB CYS A 32 26.989 3.447 5.148 1.00 0.00 C ATOM 442 SG CYS A 32 28.088 3.546 6.589 1.00 0.00 S ATOM 0 H CYS A 32 28.429 5.409 4.236 1.00 0.00 H new ATOM 0 HA CYS A 32 28.081 2.527 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.273 4.267 5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.420 2.520 5.222 1.00 0.00 H new ATOM 447 N HIS A 33 25.612 2.979 2.509 1.00 0.00 N ATOM 448 CA HIS A 33 24.557 3.296 1.505 1.00 0.00 C ATOM 449 C HIS A 33 23.382 4.045 2.163 1.00 0.00 C ATOM 450 O HIS A 33 23.580 4.773 3.115 1.00 0.00 O ATOM 451 CB HIS A 33 24.080 1.983 0.847 1.00 0.00 C ATOM 452 CG HIS A 33 23.709 0.962 1.912 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.292 1.238 3.053 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.734 -0.418 1.852 1.00 0.00 C ATOM 455 CE1 HIS A 33 23.051 0.185 3.718 1.00 0.00 C ATOM 456 NE2 HIS A 33 23.305 -0.922 3.030 1.00 0.00 N ATOM 0 H HIS A 33 25.517 2.082 2.985 1.00 0.00 H new ATOM 0 HA HIS A 33 24.970 3.952 0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.220 2.181 0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.867 1.582 0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 33 24.047 -1.001 0.999 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.680 0.188 4.732 1.00 0.00 H new ATOM 0 HE2 HIS A 33 23.203 -1.896 3.315 1.00 0.00 H new ATOM 464 N SER A 34 22.184 3.864 1.656 1.00 0.00 N ATOM 465 CA SER A 34 21.020 4.578 2.265 1.00 0.00 C ATOM 466 C SER A 34 20.422 3.837 3.455 1.00 0.00 C ATOM 467 O SER A 34 19.846 4.444 4.336 1.00 0.00 O ATOM 468 CB SER A 34 19.934 4.734 1.190 1.00 0.00 C ATOM 469 OG SER A 34 20.403 3.947 0.105 1.00 0.00 O ATOM 0 H SER A 34 21.966 3.263 0.861 1.00 0.00 H new ATOM 0 HA SER A 34 21.378 5.541 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.966 4.383 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.807 5.777 0.900 1.00 0.00 H new ATOM 0 HG SER A 34 20.504 4.512 -0.689 1.00 0.00 H new ATOM 475 N ALA A 35 20.565 2.555 3.466 1.00 0.00 N ATOM 476 CA ALA A 35 20.000 1.772 4.603 1.00 0.00 C ATOM 477 C ALA A 35 20.950 1.797 5.807 1.00 0.00 C ATOM 478 O ALA A 35 21.207 0.788 6.433 1.00 0.00 O ATOM 479 CB ALA A 35 19.789 0.316 4.127 1.00 0.00 C ATOM 0 H ALA A 35 21.043 2.009 2.749 1.00 0.00 H new ATOM 0 HA ALA A 35 19.053 2.212 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.376 -0.277 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.098 0.305 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.744 -0.108 3.818 1.00 0.00 H new ATOM 485 N CYS A 36 21.445 2.963 6.121 1.00 0.00 N ATOM 486 CA CYS A 36 22.372 3.064 7.272 1.00 0.00 C ATOM 487 C CYS A 36 22.270 4.426 7.946 1.00 0.00 C ATOM 488 O CYS A 36 22.965 5.356 7.586 1.00 0.00 O ATOM 489 CB CYS A 36 23.797 2.882 6.752 1.00 0.00 C ATOM 490 SG CYS A 36 24.504 1.216 6.834 1.00 0.00 S ATOM 0 H CYS A 36 21.248 3.837 5.634 1.00 0.00 H new ATOM 0 HA CYS A 36 22.112 2.298 8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.821 3.208 5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.449 3.553 7.312 1.00 0.00 H new ATOM 495 N LYS A 37 21.407 4.516 8.912 1.00 0.00 N ATOM 496 CA LYS A 37 21.243 5.805 9.624 1.00 0.00 C ATOM 497 C LYS A 37 22.325 5.988 10.671 1.00 0.00 C ATOM 498 O LYS A 37 22.996 7.000 10.712 1.00 0.00 O ATOM 499 CB LYS A 37 19.875 5.799 10.317 1.00 0.00 C ATOM 500 CG LYS A 37 18.784 6.010 9.265 1.00 0.00 C ATOM 501 CD LYS A 37 18.422 7.494 9.211 1.00 0.00 C ATOM 502 CE LYS A 37 17.482 7.736 8.030 1.00 0.00 C ATOM 503 NZ LYS A 37 17.003 9.145 8.027 1.00 0.00 N ATOM 0 H LYS A 37 20.810 3.756 9.238 1.00 0.00 H new ATOM 0 HA LYS A 37 21.317 6.622 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.720 4.853 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.830 6.587 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.132 5.672 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.904 5.417 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.943 7.798 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.323 8.097 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.999 7.519 7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.632 7.056 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.366 9.293 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.492 9.340 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.817 9.788 7.949 1.00 0.00 H new ATOM 517 N SER A 38 22.474 5.004 11.490 1.00 0.00 N ATOM 518 CA SER A 38 23.503 5.078 12.553 1.00 0.00 C ATOM 519 C SER A 38 24.797 4.396 12.106 1.00 0.00 C ATOM 520 O SER A 38 25.160 3.352 12.609 1.00 0.00 O ATOM 521 CB SER A 38 22.959 4.356 13.789 1.00 0.00 C ATOM 522 OG SER A 38 21.873 5.168 14.213 1.00 0.00 O ATOM 0 H SER A 38 21.927 4.144 11.473 1.00 0.00 H new ATOM 0 HA SER A 38 23.723 6.123 12.772 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.631 3.345 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.718 4.268 14.566 1.00 0.00 H new ATOM 0 HG SER A 38 21.460 4.773 15.009 1.00 0.00 H new ATOM 528 N CYS A 39 25.463 5.002 11.159 1.00 0.00 N ATOM 529 CA CYS A 39 26.735 4.421 10.652 1.00 0.00 C ATOM 530 C CYS A 39 27.948 5.160 11.185 1.00 0.00 C ATOM 531 O CYS A 39 27.986 6.374 11.221 1.00 0.00 O ATOM 532 CB CYS A 39 26.754 4.540 9.125 1.00 0.00 C ATOM 533 SG CYS A 39 26.920 3.016 8.157 1.00 0.00 S ATOM 0 H CYS A 39 25.178 5.875 10.716 1.00 0.00 H new ATOM 0 HA CYS A 39 26.782 3.384 10.983 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.832 5.033 8.817 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.576 5.201 8.851 1.00 0.00 H new ATOM 538 N ILE A 40 28.917 4.398 11.587 1.00 0.00 N ATOM 539 CA ILE A 40 30.165 4.998 12.126 1.00 0.00 C ATOM 540 C ILE A 40 31.221 4.940 11.042 1.00 0.00 C ATOM 541 O ILE A 40 31.089 4.162 10.116 1.00 0.00 O ATOM 542 CB ILE A 40 30.650 4.164 13.323 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.541 4.004 14.359 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.824 4.898 13.985 1.00 0.00 C ATOM 545 CD1 ILE A 40 29.528 2.553 14.840 1.00 0.00 C ATOM 0 H ILE A 40 28.901 3.378 11.566 1.00 0.00 H new ATOM 0 HA ILE A 40 29.984 6.026 12.439 1.00 0.00 H new ATOM 0 HB ILE A 40 30.948 3.178 12.966 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.707 4.679 15.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.577 4.267 13.924 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.181 4.320 14.837 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.632 5.017 13.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.494 5.880 14.325 1.00 0.00 H new ATOM 0 HD11 ILE A 40 28.740 2.423 15.582 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.343 1.891 13.994 1.00 0.00 H new ATOM 0 HD13 ILE A 40 30.491 2.309 15.288 1.00 0.00 H new ATOM 557 N CYS A 41 32.247 5.741 11.140 1.00 0.00 N ATOM 558 CA CYS A 41 33.271 5.668 10.069 1.00 0.00 C ATOM 559 C CYS A 41 34.654 6.084 10.526 1.00 0.00 C ATOM 560 O CYS A 41 34.814 6.937 11.376 1.00 0.00 O ATOM 561 CB CYS A 41 32.839 6.568 8.906 1.00 0.00 C ATOM 562 SG CYS A 41 32.649 5.796 7.275 1.00 0.00 S ATOM 0 H CYS A 41 32.415 6.417 11.885 1.00 0.00 H new ATOM 0 HA CYS A 41 33.339 4.623 9.765 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.888 7.029 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.569 7.373 8.814 1.00 0.00 H new ATOM 567 N ALA A 42 35.634 5.451 9.928 1.00 0.00 N ATOM 568 CA ALA A 42 37.039 5.761 10.280 1.00 0.00 C ATOM 569 C ALA A 42 37.661 6.734 9.286 1.00 0.00 C ATOM 570 O ALA A 42 37.222 6.837 8.140 1.00 0.00 O ATOM 571 CB ALA A 42 37.861 4.474 10.295 1.00 0.00 C ATOM 0 H ALA A 42 35.513 4.734 9.212 1.00 0.00 H new ATOM 0 HA ALA A 42 37.041 6.224 11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.894 4.705 10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.447 3.786 11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.829 4.011 9.309 1.00 0.00 H new ATOM 577 N LEU A 43 38.792 7.243 9.719 1.00 0.00 N ATOM 578 CA LEU A 43 39.612 8.238 8.951 1.00 0.00 C ATOM 579 C LEU A 43 39.186 8.517 7.495 1.00 0.00 C ATOM 580 O LEU A 43 38.056 8.890 7.245 1.00 0.00 O ATOM 581 CB LEU A 43 41.059 7.718 8.951 1.00 0.00 C ATOM 582 CG LEU A 43 42.011 8.879 8.648 1.00 0.00 C ATOM 583 CD1 LEU A 43 42.484 9.493 9.967 1.00 0.00 C ATOM 584 CD2 LEU A 43 43.222 8.357 7.876 1.00 0.00 C ATOM 0 H LEU A 43 39.199 6.995 10.621 1.00 0.00 H new ATOM 0 HA LEU A 43 39.474 9.195 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 43 41.300 7.277 9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 41.176 6.932 8.205 1.00 0.00 H new ATOM 0 HG LEU A 43 41.494 9.630 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 43 43.163 10.321 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 43 41.624 9.860 10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 43 43.003 8.736 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.900 9.183 7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 43.741 7.609 8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 43 42.890 7.906 6.941 1.00 0.00 H new ATOM 596 N SER A 44 40.101 8.335 6.570 1.00 0.00 N ATOM 597 CA SER A 44 39.784 8.596 5.138 1.00 0.00 C ATOM 598 C SER A 44 40.170 7.438 4.280 1.00 0.00 C ATOM 599 O SER A 44 40.424 6.398 4.779 1.00 0.00 O ATOM 600 CB SER A 44 40.589 9.824 4.688 1.00 0.00 C ATOM 601 OG SER A 44 40.814 10.550 5.888 1.00 0.00 O ATOM 0 H SER A 44 41.053 8.017 6.751 1.00 0.00 H new ATOM 0 HA SER A 44 38.711 8.759 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.528 9.534 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 44 40.036 10.418 3.960 1.00 0.00 H new ATOM 0 HG SER A 44 41.330 11.359 5.689 1.00 0.00 H new ATOM 607 N TYR A 45 40.389 7.706 3.024 1.00 0.00 N ATOM 608 CA TYR A 45 40.767 6.607 2.090 1.00 0.00 C ATOM 609 C TYR A 45 42.181 6.044 2.373 1.00 0.00 C ATOM 610 O TYR A 45 43.145 6.782 2.329 1.00 0.00 O ATOM 611 CB TYR A 45 40.808 7.209 0.668 1.00 0.00 C ATOM 612 CG TYR A 45 39.593 8.113 0.437 1.00 0.00 C ATOM 613 CD1 TYR A 45 39.588 9.418 0.892 1.00 0.00 C ATOM 614 CD2 TYR A 45 38.492 7.643 -0.249 1.00 0.00 C ATOM 615 CE1 TYR A 45 38.498 10.235 0.668 1.00 0.00 C ATOM 616 CE2 TYR A 45 37.404 8.462 -0.476 1.00 0.00 C ATOM 617 CZ TYR A 45 37.398 9.763 -0.019 1.00 0.00 C ATOM 618 OH TYR A 45 36.307 10.577 -0.241 1.00 0.00 O ATOM 0 H TYR A 45 40.323 8.633 2.604 1.00 0.00 H new ATOM 0 HA TYR A 45 40.042 5.801 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 45 41.726 7.781 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 45 40.821 6.409 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 45 40.444 9.802 1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 45 38.481 6.626 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 45 38.506 11.251 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 45 36.550 8.080 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 45 35.625 10.081 -0.741 1.00 0.00 H new ATOM 628 N PRO A 46 42.296 4.712 2.668 1.00 0.00 N ATOM 629 CA PRO A 46 41.158 3.736 2.771 1.00 0.00 C ATOM 630 C PRO A 46 40.279 4.024 3.997 1.00 0.00 C ATOM 631 O PRO A 46 40.676 3.773 5.118 1.00 0.00 O ATOM 632 CB PRO A 46 41.833 2.362 2.960 1.00 0.00 C ATOM 633 CG PRO A 46 43.371 2.600 3.030 1.00 0.00 C ATOM 634 CD PRO A 46 43.619 4.115 2.893 1.00 0.00 C ATOM 0 HA PRO A 46 40.516 3.791 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 46 41.478 1.883 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.586 1.696 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.772 2.231 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.879 2.056 2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.084 4.519 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.292 4.329 2.063 1.00 0.00 H new ATOM 642 N ALA A 47 39.097 4.545 3.763 1.00 0.00 N ATOM 643 CA ALA A 47 38.180 4.860 4.899 1.00 0.00 C ATOM 644 C ALA A 47 37.468 3.620 5.333 1.00 0.00 C ATOM 645 O ALA A 47 37.509 2.623 4.637 1.00 0.00 O ATOM 646 CB ALA A 47 37.126 5.851 4.389 1.00 0.00 C ATOM 0 H ALA A 47 38.731 4.764 2.836 1.00 0.00 H new ATOM 0 HA ALA A 47 38.751 5.270 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.440 6.101 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.619 6.758 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.569 5.400 3.568 1.00 0.00 H new ATOM 652 N GLN A 48 36.834 3.673 6.474 1.00 0.00 N ATOM 653 CA GLN A 48 36.110 2.430 6.922 1.00 0.00 C ATOM 654 C GLN A 48 34.750 2.755 7.494 1.00 0.00 C ATOM 655 O GLN A 48 34.561 3.827 8.001 1.00 0.00 O ATOM 656 CB GLN A 48 36.942 1.712 7.992 1.00 0.00 C ATOM 657 CG GLN A 48 38.346 1.441 7.448 1.00 0.00 C ATOM 658 CD GLN A 48 39.033 0.387 8.321 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.339 0.623 9.473 1.00 0.00 O ATOM 660 NE2 GLN A 48 39.294 -0.786 7.811 1.00 0.00 N ATOM 0 H GLN A 48 36.781 4.479 7.096 1.00 0.00 H new ATOM 0 HA GLN A 48 35.973 1.790 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.001 2.323 8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.462 0.775 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.288 1.094 6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 48 38.930 2.361 7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.039 -0.990 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.752 -1.499 8.379 1.00 0.00 H new ATOM 669 N CYS A 49 33.780 1.840 7.378 1.00 0.00 N ATOM 670 CA CYS A 49 32.460 2.190 7.956 1.00 0.00 C ATOM 671 C CYS A 49 31.687 0.982 8.402 1.00 0.00 C ATOM 672 O CYS A 49 31.562 -0.003 7.681 1.00 0.00 O ATOM 673 CB CYS A 49 31.611 2.969 6.943 1.00 0.00 C ATOM 674 SG CYS A 49 31.023 4.607 7.453 1.00 0.00 S ATOM 0 H CYS A 49 33.858 0.926 6.932 1.00 0.00 H new ATOM 0 HA CYS A 49 32.666 2.808 8.830 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.195 3.087 6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 49 30.743 2.361 6.689 1.00 0.00 H new ATOM 679 N PHE A 50 31.197 1.108 9.603 1.00 0.00 N ATOM 680 CA PHE A 50 30.398 0.041 10.246 1.00 0.00 C ATOM 681 C PHE A 50 28.972 0.518 10.348 1.00 0.00 C ATOM 682 O PHE A 50 28.739 1.708 10.446 1.00 0.00 O ATOM 683 CB PHE A 50 30.924 -0.148 11.682 1.00 0.00 C ATOM 684 CG PHE A 50 31.386 -1.588 11.922 1.00 0.00 C ATOM 685 CD1 PHE A 50 32.577 -2.040 11.389 1.00 0.00 C ATOM 686 CD2 PHE A 50 30.637 -2.442 12.714 1.00 0.00 C ATOM 687 CE1 PHE A 50 33.013 -3.324 11.645 1.00 0.00 C ATOM 688 CE2 PHE A 50 31.077 -3.724 12.969 1.00 0.00 C ATOM 689 CZ PHE A 50 32.263 -4.164 12.435 1.00 0.00 C ATOM 0 H PHE A 50 31.325 1.938 10.181 1.00 0.00 H new ATOM 0 HA PHE A 50 30.464 -0.885 9.674 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.753 0.536 11.860 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.140 0.108 12.395 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.171 -1.385 10.768 1.00 0.00 H new ATOM 0 HD2 PHE A 50 29.702 -2.102 13.135 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.945 -3.670 11.224 1.00 0.00 H new ATOM 0 HE2 PHE A 50 30.488 -4.383 13.590 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.607 -5.168 12.635 1.00 0.00 H new ATOM 699 N CYS A 51 28.041 -0.391 10.323 1.00 0.00 N ATOM 700 CA CYS A 51 26.589 0.063 10.428 1.00 0.00 C ATOM 701 C CYS A 51 25.868 -0.624 11.575 1.00 0.00 C ATOM 702 O CYS A 51 25.567 -1.795 11.511 1.00 0.00 O ATOM 703 CB CYS A 51 25.845 -0.245 9.113 1.00 0.00 C ATOM 704 SG CYS A 51 24.331 0.688 8.777 1.00 0.00 S ATOM 0 H CYS A 51 28.192 -1.396 10.238 1.00 0.00 H new ATOM 0 HA CYS A 51 26.595 1.137 10.616 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.536 -0.076 8.287 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.596 -1.306 9.107 1.00 0.00 H new ATOM 709 N VAL A 52 25.573 0.131 12.608 1.00 0.00 N ATOM 710 CA VAL A 52 24.869 -0.486 13.764 1.00 0.00 C ATOM 711 C VAL A 52 23.362 -0.366 13.601 1.00 0.00 C ATOM 712 O VAL A 52 22.608 -0.978 14.331 1.00 0.00 O ATOM 713 CB VAL A 52 25.301 0.213 15.072 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.641 -0.365 15.532 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.455 1.715 14.839 1.00 0.00 C ATOM 0 H VAL A 52 25.786 1.125 12.696 1.00 0.00 H new ATOM 0 HA VAL A 52 25.135 -1.542 13.806 1.00 0.00 H new ATOM 0 HB VAL A 52 24.540 0.046 15.835 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.951 0.125 16.455 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.535 -1.436 15.707 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.394 -0.197 14.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.760 2.198 15.767 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.212 1.889 14.074 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.503 2.131 14.509 1.00 0.00 H new ATOM 725 N ASP A 53 22.945 0.420 12.646 1.00 0.00 N ATOM 726 CA ASP A 53 21.484 0.574 12.434 1.00 0.00 C ATOM 727 C ASP A 53 20.862 -0.804 12.291 1.00 0.00 C ATOM 728 O ASP A 53 21.565 -1.758 12.035 1.00 0.00 O ATOM 729 CB ASP A 53 21.252 1.364 11.137 1.00 0.00 C ATOM 730 CG ASP A 53 20.051 2.295 11.319 1.00 0.00 C ATOM 731 OD1 ASP A 53 20.070 3.018 12.302 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.182 2.230 10.466 1.00 0.00 O ATOM 0 H ASP A 53 23.544 0.953 12.015 1.00 0.00 H new ATOM 0 HA ASP A 53 21.035 1.100 13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.141 1.943 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.074 0.679 10.308 1.00 0.00 H new ATOM 737 N ILE A 54 19.567 -0.902 12.452 1.00 0.00 N ATOM 738 CA ILE A 54 18.939 -2.245 12.318 1.00 0.00 C ATOM 739 C ILE A 54 17.554 -2.194 11.691 1.00 0.00 C ATOM 740 O ILE A 54 16.789 -1.273 11.911 1.00 0.00 O ATOM 741 CB ILE A 54 18.804 -2.860 13.710 1.00 0.00 C ATOM 742 CG1 ILE A 54 20.045 -2.574 14.539 1.00 0.00 C ATOM 743 CG2 ILE A 54 18.671 -4.380 13.555 1.00 0.00 C ATOM 744 CD1 ILE A 54 19.940 -3.345 15.855 1.00 0.00 C ATOM 0 H ILE A 54 18.934 -0.131 12.665 1.00 0.00 H new ATOM 0 HA ILE A 54 19.580 -2.837 11.664 1.00 0.00 H new ATOM 0 HB ILE A 54 17.933 -2.434 14.207 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.941 -2.874 13.995 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.133 -1.505 14.733 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.573 -4.839 14.539 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.788 -4.609 12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.557 -4.774 13.057 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.824 -3.150 16.462 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.050 -3.023 16.396 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.871 -4.413 15.647 1.00 0.00 H new ATOM 756 N THR A 55 17.273 -3.210 10.919 1.00 0.00 N ATOM 757 CA THR A 55 15.964 -3.312 10.237 1.00 0.00 C ATOM 758 C THR A 55 15.256 -4.574 10.743 1.00 0.00 C ATOM 759 O THR A 55 15.714 -5.183 11.695 1.00 0.00 O ATOM 760 CB THR A 55 16.222 -3.421 8.722 1.00 0.00 C ATOM 761 OG1 THR A 55 15.016 -3.881 8.151 1.00 0.00 O ATOM 762 CG2 THR A 55 17.244 -4.525 8.416 1.00 0.00 C ATOM 0 H THR A 55 17.911 -3.984 10.733 1.00 0.00 H new ATOM 0 HA THR A 55 15.341 -2.441 10.440 1.00 0.00 H new ATOM 0 HB THR A 55 16.574 -2.460 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.977 -3.613 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.408 -4.581 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.186 -4.297 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.865 -5.482 8.775 1.00 0.00 H new ATOM 770 N ASP A 56 14.166 -4.948 10.112 1.00 0.00 N ATOM 771 CA ASP A 56 13.438 -6.171 10.566 1.00 0.00 C ATOM 772 C ASP A 56 13.330 -7.210 9.454 1.00 0.00 C ATOM 773 O ASP A 56 12.304 -7.842 9.304 1.00 0.00 O ATOM 774 CB ASP A 56 12.021 -5.756 10.980 1.00 0.00 C ATOM 775 CG ASP A 56 12.106 -4.695 12.081 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.718 -5.010 13.089 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.555 -3.631 11.851 1.00 0.00 O ATOM 0 H ASP A 56 13.756 -4.465 9.313 1.00 0.00 H new ATOM 0 HA ASP A 56 13.990 -6.615 11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.479 -5.362 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.465 -6.623 11.337 1.00 0.00 H new ATOM 782 N PHE A 57 14.387 -7.382 8.699 1.00 0.00 N ATOM 783 CA PHE A 57 14.328 -8.389 7.596 1.00 0.00 C ATOM 784 C PHE A 57 15.659 -8.535 6.840 1.00 0.00 C ATOM 785 O PHE A 57 15.800 -9.419 6.019 1.00 0.00 O ATOM 786 CB PHE A 57 13.252 -7.947 6.593 1.00 0.00 C ATOM 787 CG PHE A 57 13.406 -6.452 6.312 1.00 0.00 C ATOM 788 CD1 PHE A 57 14.360 -6.007 5.418 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.588 -5.528 6.939 1.00 0.00 C ATOM 790 CE1 PHE A 57 14.494 -4.663 5.151 1.00 0.00 C ATOM 791 CE2 PHE A 57 12.725 -4.181 6.671 1.00 0.00 C ATOM 792 CZ PHE A 57 13.678 -3.750 5.777 1.00 0.00 C ATOM 0 H PHE A 57 15.270 -6.881 8.795 1.00 0.00 H new ATOM 0 HA PHE A 57 14.100 -9.354 8.049 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.347 -8.514 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.259 -8.153 6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.006 -6.718 4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.839 -5.863 7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.241 -4.325 4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.084 -3.465 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.785 -2.696 5.567 1.00 0.00 H new ATOM 802 N CYS A 58 16.607 -7.682 7.119 1.00 0.00 N ATOM 803 CA CYS A 58 17.909 -7.787 6.409 1.00 0.00 C ATOM 804 C CYS A 58 17.720 -7.658 4.905 1.00 0.00 C ATOM 805 O CYS A 58 17.279 -8.577 4.241 1.00 0.00 O ATOM 806 CB CYS A 58 18.553 -9.153 6.712 1.00 0.00 C ATOM 807 SG CYS A 58 20.202 -9.147 7.441 1.00 0.00 S ATOM 0 H CYS A 58 16.536 -6.926 7.800 1.00 0.00 H new ATOM 0 HA CYS A 58 18.552 -6.979 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.889 -9.697 7.384 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.598 -9.719 5.781 1.00 0.00 H new ATOM 812 N TYR A 59 18.050 -6.509 4.400 1.00 0.00 N ATOM 813 CA TYR A 59 17.907 -6.276 2.945 1.00 0.00 C ATOM 814 C TYR A 59 18.562 -7.408 2.149 1.00 0.00 C ATOM 815 O TYR A 59 19.257 -8.236 2.705 1.00 0.00 O ATOM 816 CB TYR A 59 18.607 -4.951 2.597 1.00 0.00 C ATOM 817 CG TYR A 59 18.358 -3.932 3.712 1.00 0.00 C ATOM 818 CD1 TYR A 59 19.168 -3.899 4.829 1.00 0.00 C ATOM 819 CD2 TYR A 59 17.324 -3.024 3.610 1.00 0.00 C ATOM 820 CE1 TYR A 59 18.948 -2.974 5.826 1.00 0.00 C ATOM 821 CE2 TYR A 59 17.105 -2.098 4.608 1.00 0.00 C ATOM 822 CZ TYR A 59 17.916 -2.066 5.725 1.00 0.00 C ATOM 823 OH TYR A 59 17.697 -1.139 6.723 1.00 0.00 O ATOM 0 H TYR A 59 18.413 -5.720 4.934 1.00 0.00 H new ATOM 0 HA TYR A 59 16.848 -6.238 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.677 -5.115 2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.231 -4.567 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.981 -4.604 4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.681 -3.039 2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 59 19.590 -2.960 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 59 16.293 -1.392 4.515 1.00 0.00 H new ATOM 0 HH TYR A 59 16.929 -0.578 6.486 1.00 0.00 H new ATOM 833 N GLU A 60 18.329 -7.427 0.861 1.00 0.00 N ATOM 834 CA GLU A 60 18.934 -8.503 0.027 1.00 0.00 C ATOM 835 C GLU A 60 20.336 -8.092 -0.465 1.00 0.00 C ATOM 836 O GLU A 60 20.608 -6.921 -0.640 1.00 0.00 O ATOM 837 CB GLU A 60 18.034 -8.712 -1.200 1.00 0.00 C ATOM 838 CG GLU A 60 17.056 -9.853 -0.923 1.00 0.00 C ATOM 839 CD GLU A 60 16.097 -9.991 -2.109 1.00 0.00 C ATOM 840 OE1 GLU A 60 16.450 -9.468 -3.153 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.067 -10.610 -1.902 1.00 0.00 O ATOM 0 H GLU A 60 17.753 -6.752 0.358 1.00 0.00 H new ATOM 0 HA GLU A 60 19.022 -9.412 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.487 -7.796 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.641 -8.943 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.600 -10.785 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.497 -9.655 -0.008 1.00 0.00 H new ATOM 848 N PRO A 61 21.196 -9.072 -0.729 1.00 0.00 N ATOM 849 CA PRO A 61 22.550 -8.782 -1.200 1.00 0.00 C ATOM 850 C PRO A 61 22.517 -7.714 -2.281 1.00 0.00 C ATOM 851 O PRO A 61 21.524 -7.553 -2.965 1.00 0.00 O ATOM 852 CB PRO A 61 23.057 -10.119 -1.778 1.00 0.00 C ATOM 853 CG PRO A 61 22.021 -11.215 -1.378 1.00 0.00 C ATOM 854 CD PRO A 61 20.858 -10.504 -0.663 1.00 0.00 C ATOM 0 HA PRO A 61 23.194 -8.405 -0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.154 -10.058 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.044 -10.360 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.663 -11.746 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.479 -11.957 -0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.907 -10.709 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.763 -10.841 0.369 1.00 0.00 H new ATOM 862 N CYS A 62 23.594 -6.999 -2.422 1.00 0.00 N ATOM 863 CA CYS A 62 23.620 -5.944 -3.455 1.00 0.00 C ATOM 864 C CYS A 62 23.601 -6.525 -4.853 1.00 0.00 C ATOM 865 O CYS A 62 24.152 -7.577 -5.113 1.00 0.00 O ATOM 866 CB CYS A 62 24.886 -5.102 -3.278 1.00 0.00 C ATOM 867 SG CYS A 62 24.669 -3.321 -3.004 1.00 0.00 S ATOM 0 H CYS A 62 24.447 -7.101 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 62 22.727 -5.330 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 62 25.446 -5.507 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.506 -5.234 -4.165 1.00 0.00 H new ATOM 872 N LYS A 63 22.953 -5.808 -5.718 1.00 0.00 N ATOM 873 CA LYS A 63 22.842 -6.241 -7.135 1.00 0.00 C ATOM 874 C LYS A 63 23.466 -5.172 -8.066 1.00 0.00 C ATOM 875 O LYS A 63 22.774 -4.312 -8.577 1.00 0.00 O ATOM 876 CB LYS A 63 21.338 -6.375 -7.458 1.00 0.00 C ATOM 877 CG LYS A 63 21.150 -7.407 -8.572 1.00 0.00 C ATOM 878 CD LYS A 63 21.858 -6.924 -9.840 1.00 0.00 C ATOM 879 CE LYS A 63 21.286 -7.674 -11.041 1.00 0.00 C ATOM 880 NZ LYS A 63 22.088 -7.394 -12.266 1.00 0.00 N ATOM 0 H LYS A 63 22.488 -4.926 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 63 23.366 -7.185 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.789 -6.680 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.933 -5.411 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.554 -8.371 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.088 -7.555 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.718 -5.850 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.931 -7.099 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.282 -8.745 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.250 -7.376 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.684 -7.913 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.070 -6.374 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.070 -7.700 -12.115 1.00 0.00 H new ATOM 894 N PRO A 64 24.777 -5.232 -8.267 1.00 0.00 N ATOM 895 CA PRO A 64 25.451 -4.260 -9.129 1.00 0.00 C ATOM 896 C PRO A 64 24.936 -4.328 -10.564 1.00 0.00 C ATOM 897 O PRO A 64 24.734 -5.394 -11.108 1.00 0.00 O ATOM 898 CB PRO A 64 26.943 -4.652 -9.083 1.00 0.00 C ATOM 899 CG PRO A 64 27.080 -5.846 -8.094 1.00 0.00 C ATOM 900 CD PRO A 64 25.662 -6.251 -7.666 1.00 0.00 C ATOM 0 HA PRO A 64 25.272 -3.240 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.297 -4.933 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.551 -3.809 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 64 27.591 -6.683 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 64 27.676 -5.560 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 64 25.412 -7.250 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 64 25.566 -6.266 -6.580 1.00 0.00 H new ATOM 908 N SER A 65 24.733 -3.177 -11.148 1.00 0.00 N ATOM 909 CA SER A 65 24.233 -3.139 -12.543 1.00 0.00 C ATOM 910 C SER A 65 24.472 -1.766 -13.160 1.00 0.00 C ATOM 911 O SER A 65 23.768 -1.356 -14.060 1.00 0.00 O ATOM 912 CB SER A 65 22.722 -3.419 -12.523 1.00 0.00 C ATOM 913 OG SER A 65 22.483 -4.120 -13.736 1.00 0.00 O ATOM 0 H SER A 65 24.893 -2.267 -10.717 1.00 0.00 H new ATOM 0 HA SER A 65 24.761 -3.887 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.439 -4.015 -11.656 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.146 -2.495 -12.477 1.00 0.00 H new ATOM 0 HG SER A 65 21.531 -4.342 -13.804 1.00 0.00 H new ATOM 919 N GLU A 66 25.465 -1.080 -12.659 1.00 0.00 N ATOM 920 CA GLU A 66 25.768 0.268 -13.201 1.00 0.00 C ATOM 921 C GLU A 66 25.905 0.224 -14.718 1.00 0.00 C ATOM 922 O GLU A 66 26.514 -0.675 -15.264 1.00 0.00 O ATOM 923 CB GLU A 66 27.099 0.747 -12.601 1.00 0.00 C ATOM 924 CG GLU A 66 27.265 0.149 -11.201 1.00 0.00 C ATOM 925 CD GLU A 66 28.289 0.972 -10.415 1.00 0.00 C ATOM 926 OE1 GLU A 66 29.096 1.606 -11.074 1.00 0.00 O ATOM 927 OE2 GLU A 66 28.206 0.918 -9.199 1.00 0.00 O ATOM 0 H GLU A 66 26.073 -1.395 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 66 24.954 0.945 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 66 27.929 0.444 -13.239 1.00 0.00 H new ATOM 0 HB3 GLU A 66 27.117 1.836 -12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 66 26.308 0.145 -10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 66 27.593 -0.888 -11.273 1.00 0.00 H new ATOM 934 N ASP A 67 25.332 1.198 -15.374 1.00 0.00 N ATOM 935 CA ASP A 67 25.419 1.227 -16.856 1.00 0.00 C ATOM 936 C ASP A 67 26.646 2.011 -17.311 1.00 0.00 C ATOM 937 O ASP A 67 27.201 2.787 -16.561 1.00 0.00 O ATOM 938 CB ASP A 67 24.162 1.922 -17.401 1.00 0.00 C ATOM 939 CG ASP A 67 23.559 1.073 -18.523 1.00 0.00 C ATOM 940 OD1 ASP A 67 24.294 0.817 -19.463 1.00 0.00 O ATOM 941 OD2 ASP A 67 22.399 0.729 -18.375 1.00 0.00 O ATOM 0 H ASP A 67 24.813 1.966 -14.949 1.00 0.00 H new ATOM 0 HA ASP A 67 25.497 0.206 -17.228 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.433 2.059 -16.602 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.415 2.914 -17.776 1.00 0.00 H new ATOM 946 N ASP A 68 27.043 1.792 -18.534 1.00 0.00 N ATOM 947 CA ASP A 68 28.230 2.516 -19.055 1.00 0.00 C ATOM 948 C ASP A 68 27.901 3.981 -19.317 1.00 0.00 C ATOM 949 O ASP A 68 27.608 4.727 -18.406 1.00 0.00 O ATOM 950 CB ASP A 68 28.652 1.856 -20.376 1.00 0.00 C ATOM 951 CG ASP A 68 29.916 2.541 -20.903 1.00 0.00 C ATOM 952 OD1 ASP A 68 30.834 2.672 -20.108 1.00 0.00 O ATOM 953 OD2 ASP A 68 29.895 2.893 -22.071 1.00 0.00 O ATOM 0 H ASP A 68 26.599 1.148 -19.189 1.00 0.00 H new ATOM 0 HA ASP A 68 29.031 2.469 -18.318 1.00 0.00 H new ATOM 0 HB2 ASP A 68 28.838 0.793 -20.222 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.849 1.936 -21.109 1.00 0.00 H new ATOM 958 N LYS A 69 27.955 4.366 -20.565 1.00 0.00 N ATOM 959 CA LYS A 69 27.648 5.777 -20.907 1.00 0.00 C ATOM 960 C LYS A 69 26.172 5.941 -21.255 1.00 0.00 C ATOM 961 O LYS A 69 25.679 5.331 -22.182 1.00 0.00 O ATOM 962 CB LYS A 69 28.493 6.172 -22.126 1.00 0.00 C ATOM 963 CG LYS A 69 29.972 6.183 -21.728 1.00 0.00 C ATOM 964 CD LYS A 69 30.786 6.849 -22.839 1.00 0.00 C ATOM 965 CE LYS A 69 32.267 6.509 -22.650 1.00 0.00 C ATOM 966 NZ LYS A 69 32.757 7.015 -21.336 1.00 0.00 N ATOM 0 H LYS A 69 28.197 3.766 -21.354 1.00 0.00 H new ATOM 0 HA LYS A 69 27.876 6.411 -20.050 1.00 0.00 H new ATOM 0 HB2 LYS A 69 28.328 5.468 -22.942 1.00 0.00 H new ATOM 0 HB3 LYS A 69 28.194 7.155 -22.488 1.00 0.00 H new ATOM 0 HG2 LYS A 69 30.105 6.722 -20.790 1.00 0.00 H new ATOM 0 HG3 LYS A 69 30.324 5.165 -21.563 1.00 0.00 H new ATOM 0 HD2 LYS A 69 30.443 6.504 -23.814 1.00 0.00 H new ATOM 0 HD3 LYS A 69 30.642 7.929 -22.814 1.00 0.00 H new ATOM 0 HE2 LYS A 69 32.408 5.430 -22.706 1.00 0.00 H new ATOM 0 HE3 LYS A 69 32.853 6.949 -23.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 33.795 6.960 -21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 32.459 8.004 -21.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 32.359 6.435 -20.570 1.00 0.00 H new ATOM 980 N GLU A 70 25.493 6.766 -20.500 1.00 0.00 N ATOM 981 CA GLU A 70 24.049 6.985 -20.767 1.00 0.00 C ATOM 982 C GLU A 70 23.663 8.442 -20.524 1.00 0.00 C ATOM 983 O GLU A 70 23.000 9.054 -21.337 1.00 0.00 O ATOM 984 CB GLU A 70 23.244 6.094 -19.810 1.00 0.00 C ATOM 985 CG GLU A 70 21.927 5.694 -20.478 1.00 0.00 C ATOM 986 CD GLU A 70 21.122 4.811 -19.521 1.00 0.00 C ATOM 987 OE1 GLU A 70 21.483 3.651 -19.421 1.00 0.00 O ATOM 988 OE2 GLU A 70 20.189 5.348 -18.945 1.00 0.00 O ATOM 0 H GLU A 70 25.877 7.293 -19.716 1.00 0.00 H new ATOM 0 HA GLU A 70 23.838 6.740 -21.808 1.00 0.00 H new ATOM 0 HB2 GLU A 70 23.819 5.205 -19.553 1.00 0.00 H new ATOM 0 HB3 GLU A 70 23.046 6.626 -18.879 1.00 0.00 H new ATOM 0 HG2 GLU A 70 21.354 6.583 -20.740 1.00 0.00 H new ATOM 0 HG3 GLU A 70 22.125 5.158 -21.406 1.00 0.00 H new ATOM 995 N ASN A 71 24.085 8.971 -19.406 1.00 0.00 N ATOM 996 CA ASN A 71 23.750 10.386 -19.099 1.00 0.00 C ATOM 997 C ASN A 71 24.551 11.334 -19.982 1.00 0.00 C ATOM 998 O ASN A 71 25.740 11.086 -20.102 1.00 0.00 O ATOM 999 CB ASN A 71 24.105 10.665 -17.632 1.00 0.00 C ATOM 1000 CG ASN A 71 23.707 12.101 -17.282 1.00 0.00 C ATOM 1001 OD1 ASN A 71 24.545 12.942 -17.018 1.00 0.00 O ATOM 1002 ND2 ASN A 71 22.443 12.423 -17.270 1.00 0.00 N ATOM 1003 OXT ASN A 71 23.933 12.257 -20.486 1.00 0.00 O ATOM 0 H ASN A 71 24.641 8.488 -18.701 1.00 0.00 H new ATOM 0 HA ASN A 71 22.687 10.546 -19.282 1.00 0.00 H new ATOM 0 HB2 ASN A 71 23.587 9.962 -16.980 1.00 0.00 H new ATOM 0 HB3 ASN A 71 25.173 10.521 -17.470 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.162 13.376 -17.040 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.736 11.722 -17.491 1.00 0.00 H new TER 1010 ASN A 71