USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 852 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: B 8 GLN : amide:sc= 0.404 X(o=1.1,f=0.79) USER MOD Set 1.2: B 30 SER OG : rot 180:sc= 0.716 USER MOD Set 2.1: B 2 SER OG : rot 80:sc= 1.4 USER MOD Set 2.2: B 3 HIS : no HD1:sc= 1.07 K(o=2.5,f=-4.8!) USER MOD Set 3.1: A 17 CYS SG : rot -30:sc= -0.393 USER MOD Set 3.2: A 46 SER OG : rot 147:sc= 0.831 USER MOD Set 3.3: B 4 MET CE :methyl -174:sc=-0.00547 (180deg=-0.0574) USER MOD Set 4.1: A 43 SER OG : rot -73:sc= 1.2 USER MOD Set 4.2: A 44 THR OG1 : rot 96:sc= 2.11 USER MOD Set 5.1: A 8 GLN : amide:sc= 0.545 X(o=5.2,f=4.8) USER MOD Set 5.2: A 29 SER OG : rot 168:sc= 1.7 USER MOD Set 5.3: A 30 SER OG : rot 180:sc= 0.726 USER MOD Set 5.4: B 43 SER OG : rot -107:sc= 0.904 USER MOD Set 5.5: B 44 THR OG1 : rot 93:sc= 1.35 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 1.22 (180deg=1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 162:sc= 0 (180deg=-0.79) USER MOD Single : A 10 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-2.3) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= 1.15 (180deg=-0.489) USER MOD Single : A 14 CYS SG : rot 160:sc= 1.52 USER MOD Single : A 16 CYS SG : rot -167:sc= 0.183 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.235 (180deg=-1.67) USER MOD Single : A 26 THR OG1 : rot 54:sc= 0.552 USER MOD Single : A 36 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.15 K(o=1.1,f=-0.054) USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.09 USER MOD Single : A 55 ASN : amide:sc= 1.23 K(o=1.2,f=-0.049) USER MOD Single : A 56 GLN : amide:sc= 1.61 K(o=1.6,f=-9.3!) USER MOD Single : B 1 GLY N :NH3+ -131:sc= 0.071 (180deg=0) USER MOD Single : B 10 HIS : no HE2:sc= -0.512 K(o=-0.51,f=-2.3!) USER MOD Single : B 11 LYS NZ :NH3+ -144:sc= 0.473 (180deg=-3.11!) USER MOD Single : B 14 CYS SG : rot -85:sc= 0.236 USER MOD Single : B 16 CYS SG : rot 176:sc= -0.51! USER MOD Single : B 17 CYS SG : rot -140:sc= 0.331 USER MOD Single : B 18 LYS NZ :NH3+ -170:sc= 0.966 (180deg=0.269) USER MOD Single : B 26 THR OG1 : rot 120:sc=-0.00161 USER MOD Single : B 29 SER OG : rot 178:sc= 0.837 USER MOD Single : B 36 THR OG1 : rot 86:sc= 1.27 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.17 K(o=1.2,f=-0.069) USER MOD Single : B 46 SER OG : rot 66:sc= 1.21 USER MOD Single : B 54 THR OG1 : rot 100:sc= 1.2 USER MOD Single : B 55 ASN : amide:sc= -0.559 K(o=-0.56,f=-2.6!) USER MOD Single : B 56 GLN : amide:sc= 2.85 K(o=2.8,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.410 11.456 -1.548 1.00 0.00 N ATOM 2 CA GLY A 1 -18.882 11.061 -0.211 1.00 0.00 C ATOM 3 C GLY A 1 -19.264 9.589 -0.210 1.00 0.00 C ATOM 4 O GLY A 1 -18.581 8.775 -0.832 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.703 12.434 -1.745 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.373 11.392 -1.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.820 10.821 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.102 11.244 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.741 11.669 0.075 1.00 0.00 H new ATOM 8 N SER A 2 -20.354 9.230 0.473 1.00 0.00 N ATOM 9 CA SER A 2 -20.955 7.906 0.347 1.00 0.00 C ATOM 10 C SER A 2 -21.384 7.664 -1.107 1.00 0.00 C ATOM 11 O SER A 2 -21.746 8.610 -1.809 1.00 0.00 O ATOM 12 CB SER A 2 -22.162 7.812 1.286 1.00 0.00 C ATOM 13 OG SER A 2 -21.777 8.168 2.600 1.00 0.00 O ATOM 0 H SER A 2 -20.840 9.847 1.124 1.00 0.00 H new ATOM 0 HA SER A 2 -20.228 7.142 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.957 8.472 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.563 6.799 1.277 1.00 0.00 H new ATOM 0 HG SER A 2 -22.553 8.108 3.196 1.00 0.00 H new ATOM 19 N HIS A 3 -21.365 6.401 -1.546 1.00 0.00 N ATOM 20 CA HIS A 3 -21.845 5.994 -2.862 1.00 0.00 C ATOM 21 C HIS A 3 -22.335 4.547 -2.791 1.00 0.00 C ATOM 22 O HIS A 3 -23.536 4.299 -2.845 1.00 0.00 O ATOM 23 CB HIS A 3 -20.741 6.183 -3.920 1.00 0.00 C ATOM 24 CG HIS A 3 -21.190 5.798 -5.308 1.00 0.00 C ATOM 25 ND1 HIS A 3 -20.854 4.647 -5.991 1.00 0.00 N ATOM 26 CD2 HIS A 3 -22.041 6.518 -6.103 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.498 4.679 -7.172 1.00 0.00 C ATOM 28 NE2 HIS A 3 -22.228 5.799 -7.286 1.00 0.00 N ATOM 0 H HIS A 3 -21.010 5.626 -0.986 1.00 0.00 H new ATOM 0 HA HIS A 3 -22.682 6.623 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.421 7.225 -3.922 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.873 5.584 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.487 7.471 -5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -21.436 3.908 -7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -22.806 6.072 -8.081 1.00 0.00 H new ATOM 36 N MET A 4 -21.404 3.599 -2.639 1.00 0.00 N ATOM 37 CA MET A 4 -21.651 2.166 -2.668 1.00 0.00 C ATOM 38 C MET A 4 -20.781 1.559 -1.568 1.00 0.00 C ATOM 39 O MET A 4 -19.582 1.360 -1.751 1.00 0.00 O ATOM 40 CB MET A 4 -21.361 1.661 -4.092 1.00 0.00 C ATOM 41 CG MET A 4 -21.662 0.180 -4.330 1.00 0.00 C ATOM 42 SD MET A 4 -21.909 -0.180 -6.094 1.00 0.00 S ATOM 43 CE MET A 4 -21.892 -1.991 -6.075 1.00 0.00 C ATOM 0 H MET A 4 -20.421 3.825 -2.487 1.00 0.00 H new ATOM 0 HA MET A 4 -22.682 1.877 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 4 -21.946 2.252 -4.796 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.310 1.843 -4.318 1.00 0.00 H new ATOM 0 HG2 MET A 4 -20.840 -0.425 -3.947 1.00 0.00 H new ATOM 0 HG3 MET A 4 -22.554 -0.104 -3.772 1.00 0.00 H new ATOM 0 HE1 MET A 4 -22.340 -2.369 -6.994 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.864 -2.344 -6.001 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.462 -2.351 -5.219 1.00 0.00 H new ATOM 53 N ALA A 5 -21.368 1.414 -0.376 1.00 0.00 N ATOM 54 CA ALA A 5 -20.689 0.982 0.833 1.00 0.00 C ATOM 55 C ALA A 5 -20.467 -0.532 0.791 1.00 0.00 C ATOM 56 O ALA A 5 -21.393 -1.295 1.067 1.00 0.00 O ATOM 57 CB ALA A 5 -21.509 1.405 2.060 1.00 0.00 C ATOM 0 H ALA A 5 -22.360 1.602 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.711 1.457 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -21.000 1.081 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -21.614 2.490 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.496 0.945 2.014 1.00 0.00 H new ATOM 63 N GLU A 6 -19.251 -0.962 0.445 1.00 0.00 N ATOM 64 CA GLU A 6 -18.881 -2.369 0.322 1.00 0.00 C ATOM 65 C GLU A 6 -17.565 -2.617 1.080 1.00 0.00 C ATOM 66 O GLU A 6 -16.753 -1.691 1.196 1.00 0.00 O ATOM 67 CB GLU A 6 -18.754 -2.739 -1.166 1.00 0.00 C ATOM 68 CG GLU A 6 -20.093 -2.631 -1.910 1.00 0.00 C ATOM 69 CD GLU A 6 -19.977 -3.091 -3.364 1.00 0.00 C ATOM 70 OE1 GLU A 6 -19.148 -2.501 -4.092 1.00 0.00 O ATOM 71 OE2 GLU A 6 -20.748 -4.000 -3.743 1.00 0.00 O ATOM 0 H GLU A 6 -18.481 -0.325 0.239 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.652 -3.002 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.024 -2.083 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.373 -3.757 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.843 -3.234 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.441 -1.598 -1.883 1.00 0.00 H new ATOM 78 N PRO A 7 -17.333 -3.838 1.609 1.00 0.00 N ATOM 79 CA PRO A 7 -16.183 -4.173 2.449 1.00 0.00 C ATOM 80 C PRO A 7 -14.907 -4.351 1.614 1.00 0.00 C ATOM 81 O PRO A 7 -14.298 -5.424 1.605 1.00 0.00 O ATOM 82 CB PRO A 7 -16.611 -5.439 3.203 1.00 0.00 C ATOM 83 CG PRO A 7 -17.486 -6.155 2.177 1.00 0.00 C ATOM 84 CD PRO A 7 -18.219 -4.994 1.506 1.00 0.00 C ATOM 0 HA PRO A 7 -15.922 -3.379 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.754 -6.044 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.163 -5.202 4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.892 -6.727 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.177 -6.854 2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.440 -5.224 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.172 -4.799 1.998 1.00 0.00 H new ATOM 92 N GLN A 8 -14.491 -3.280 0.932 1.00 0.00 N ATOM 93 CA GLN A 8 -13.284 -3.211 0.129 1.00 0.00 C ATOM 94 C GLN A 8 -12.453 -2.009 0.573 1.00 0.00 C ATOM 95 O GLN A 8 -11.318 -2.209 0.982 1.00 0.00 O ATOM 96 CB GLN A 8 -13.609 -3.187 -1.377 1.00 0.00 C ATOM 97 CG GLN A 8 -13.753 -4.586 -2.010 1.00 0.00 C ATOM 98 CD GLN A 8 -14.924 -5.414 -1.474 1.00 0.00 C ATOM 99 OE1 GLN A 8 -16.015 -4.904 -1.250 1.00 0.00 O ATOM 100 NE2 GLN A 8 -14.742 -6.711 -1.259 1.00 0.00 N ATOM 0 H GLN A 8 -15.014 -2.404 0.930 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.690 -4.111 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.535 -2.633 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.822 -2.642 -1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.870 -4.472 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.829 -5.141 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.834 -7.136 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.510 -7.282 -0.907 1.00 0.00 H new ATOM 109 N ARG A 9 -12.971 -0.774 0.486 1.00 0.00 N ATOM 110 CA ARG A 9 -12.246 0.460 0.820 1.00 0.00 C ATOM 111 C ARG A 9 -11.745 0.416 2.267 1.00 0.00 C ATOM 112 O ARG A 9 -12.497 0.759 3.179 1.00 0.00 O ATOM 113 CB ARG A 9 -13.154 1.673 0.525 1.00 0.00 C ATOM 114 CG ARG A 9 -12.497 3.044 0.590 1.00 0.00 C ATOM 115 CD ARG A 9 -12.321 3.650 1.997 1.00 0.00 C ATOM 116 NE ARG A 9 -12.698 5.075 2.021 1.00 0.00 N ATOM 117 CZ ARG A 9 -11.975 6.152 2.352 1.00 0.00 C ATOM 118 NH1 ARG A 9 -10.704 6.089 2.733 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.549 7.344 2.293 1.00 0.00 N ATOM 0 H ARG A 9 -13.927 -0.603 0.174 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.356 0.557 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.581 1.546 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.984 1.658 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.515 2.976 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.089 3.736 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.932 3.098 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.284 3.541 2.314 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.659 5.271 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.231 5.187 2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.201 6.943 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.522 7.427 2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.018 8.179 2.541 1.00 0.00 H new ATOM 133 N HIS A 10 -10.493 -0.002 2.496 1.00 0.00 N ATOM 134 CA HIS A 10 -9.983 -0.280 3.831 1.00 0.00 C ATOM 135 C HIS A 10 -8.687 0.486 4.080 1.00 0.00 C ATOM 136 O HIS A 10 -8.119 1.087 3.171 1.00 0.00 O ATOM 137 CB HIS A 10 -9.793 -1.791 4.001 1.00 0.00 C ATOM 138 CG HIS A 10 -11.055 -2.627 3.998 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.174 -3.938 3.600 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.298 -2.216 4.381 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.450 -4.308 3.786 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.181 -3.290 4.265 1.00 0.00 N ATOM 0 H HIS A 10 -9.810 -0.155 1.754 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.704 0.059 4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.144 -2.147 3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.268 -1.967 4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.426 -4.524 3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.556 -1.223 4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.837 -5.294 3.578 1.00 0.00 H new ATOM 150 N LYS A 11 -8.259 0.518 5.347 1.00 0.00 N ATOM 151 CA LYS A 11 -7.292 1.469 5.873 1.00 0.00 C ATOM 152 C LYS A 11 -6.399 0.767 6.881 1.00 0.00 C ATOM 153 O LYS A 11 -6.776 0.625 8.044 1.00 0.00 O ATOM 154 CB LYS A 11 -8.027 2.635 6.535 1.00 0.00 C ATOM 155 CG LYS A 11 -8.651 3.604 5.521 1.00 0.00 C ATOM 156 CD LYS A 11 -9.746 4.470 6.144 1.00 0.00 C ATOM 157 CE LYS A 11 -9.260 5.097 7.456 1.00 0.00 C ATOM 158 NZ LYS A 11 -9.808 6.440 7.730 1.00 0.00 N ATOM 0 H LYS A 11 -8.591 -0.141 6.051 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.677 1.859 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.810 2.242 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.331 3.182 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.873 4.247 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.069 3.037 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.037 5.255 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.633 3.865 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.524 4.435 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.172 5.160 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.051 7.058 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.200 6.840 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.560 6.369 8.445 1.00 0.00 H new ATOM 172 N ILE A 12 -5.220 0.337 6.443 1.00 0.00 N ATOM 173 CA ILE A 12 -4.191 -0.125 7.361 1.00 0.00 C ATOM 174 C ILE A 12 -3.426 1.119 7.813 1.00 0.00 C ATOM 175 O ILE A 12 -2.511 1.581 7.146 1.00 0.00 O ATOM 176 CB ILE A 12 -3.291 -1.199 6.719 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.126 -2.408 6.250 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.211 -1.599 7.749 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.271 -3.505 5.610 1.00 0.00 C ATOM 0 H ILE A 12 -4.956 0.300 5.459 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.625 -0.625 8.227 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.803 -0.803 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.665 -2.824 7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.874 -2.071 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.560 -2.359 7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.619 -0.723 8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.691 -1.997 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.911 -4.330 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.752 -3.101 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.540 -3.865 6.334 1.00 0.00 H new ATOM 191 N LEU A 13 -3.800 1.709 8.941 1.00 0.00 N ATOM 192 CA LEU A 13 -2.992 2.744 9.547 1.00 0.00 C ATOM 193 C LEU A 13 -1.685 2.126 10.024 1.00 0.00 C ATOM 194 O LEU A 13 -1.676 1.337 10.968 1.00 0.00 O ATOM 195 CB LEU A 13 -3.742 3.475 10.659 1.00 0.00 C ATOM 196 CG LEU A 13 -2.979 4.758 11.060 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.006 5.822 11.427 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.009 4.567 12.235 1.00 0.00 C ATOM 0 H LEU A 13 -4.656 1.485 9.449 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.764 3.510 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.747 3.730 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.851 2.822 11.525 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.367 5.051 10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.493 6.739 11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.648 6.019 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.613 5.469 12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.513 5.512 12.455 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.562 4.235 13.113 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.262 3.818 11.972 1.00 0.00 H new ATOM 210 N CYS A 14 -0.592 2.506 9.367 1.00 0.00 N ATOM 211 CA CYS A 14 0.757 2.236 9.822 1.00 0.00 C ATOM 212 C CYS A 14 1.494 3.566 10.027 1.00 0.00 C ATOM 213 O CYS A 14 0.915 4.652 9.916 1.00 0.00 O ATOM 214 CB CYS A 14 1.448 1.301 8.816 1.00 0.00 C ATOM 215 SG CYS A 14 2.770 0.372 9.643 1.00 0.00 S ATOM 0 H CYS A 14 -0.627 3.020 8.487 1.00 0.00 H new ATOM 0 HA CYS A 14 0.758 1.723 10.784 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.720 0.612 8.388 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.861 1.882 7.991 1.00 0.00 H new ATOM 0 HG CYS A 14 3.066 -0.681 8.940 1.00 0.00 H new ATOM 221 N VAL A 15 2.791 3.477 10.311 1.00 0.00 N ATOM 222 CA VAL A 15 3.707 4.601 10.286 1.00 0.00 C ATOM 223 C VAL A 15 4.812 4.281 9.286 1.00 0.00 C ATOM 224 O VAL A 15 5.093 3.115 9.000 1.00 0.00 O ATOM 225 CB VAL A 15 4.247 4.942 11.688 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.139 5.574 12.542 1.00 0.00 C ATOM 227 CG2 VAL A 15 4.843 3.723 12.408 1.00 0.00 C ATOM 0 H VAL A 15 3.239 2.598 10.570 1.00 0.00 H new ATOM 0 HA VAL A 15 3.183 5.502 9.966 1.00 0.00 H new ATOM 0 HB VAL A 15 5.058 5.657 11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.532 5.811 13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.787 6.488 12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.310 4.873 12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.207 4.023 13.390 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.076 2.958 12.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.670 3.322 11.821 1.00 0.00 H new ATOM 237 N CYS A 16 5.404 5.329 8.723 1.00 0.00 N ATOM 238 CA CYS A 16 6.399 5.202 7.683 1.00 0.00 C ATOM 239 C CYS A 16 7.675 4.600 8.254 1.00 0.00 C ATOM 240 O CYS A 16 8.207 5.097 9.246 1.00 0.00 O ATOM 241 CB CYS A 16 6.676 6.572 7.079 1.00 0.00 C ATOM 242 SG CYS A 16 7.592 6.283 5.555 1.00 0.00 S ATOM 0 H CYS A 16 5.200 6.294 8.983 1.00 0.00 H new ATOM 0 HA CYS A 16 6.028 4.539 6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.745 7.103 6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.253 7.190 7.767 1.00 0.00 H new ATOM 0 HG CYS A 16 8.091 7.405 5.129 1.00 0.00 H new ATOM 247 N CYS A 17 8.201 3.580 7.579 1.00 0.00 N ATOM 248 CA CYS A 17 9.342 2.809 8.062 1.00 0.00 C ATOM 249 C CYS A 17 10.566 3.695 8.316 1.00 0.00 C ATOM 250 O CYS A 17 11.324 3.467 9.256 1.00 0.00 O ATOM 251 CB CYS A 17 9.674 1.733 7.027 1.00 0.00 C ATOM 252 SG CYS A 17 10.750 0.472 7.758 1.00 0.00 S ATOM 0 H CYS A 17 7.845 3.264 6.677 1.00 0.00 H new ATOM 0 HA CYS A 17 9.077 2.352 9.016 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.756 1.272 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.165 2.186 6.166 1.00 0.00 H new ATOM 0 HG CYS A 17 11.488 1.013 8.681 1.00 0.00 H new ATOM 258 N LYS A 18 10.756 4.716 7.471 1.00 0.00 N ATOM 259 CA LYS A 18 11.991 5.471 7.388 1.00 0.00 C ATOM 260 C LYS A 18 11.874 6.909 7.891 1.00 0.00 C ATOM 261 O LYS A 18 12.903 7.568 8.033 1.00 0.00 O ATOM 262 CB LYS A 18 12.469 5.399 5.938 1.00 0.00 C ATOM 263 CG LYS A 18 11.482 6.043 4.938 1.00 0.00 C ATOM 264 CD LYS A 18 11.961 5.879 3.493 1.00 0.00 C ATOM 265 CE LYS A 18 13.433 6.242 3.286 1.00 0.00 C ATOM 266 NZ LYS A 18 13.765 7.615 3.728 1.00 0.00 N ATOM 0 H LYS A 18 10.039 5.038 6.820 1.00 0.00 H new ATOM 0 HA LYS A 18 12.726 5.026 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.435 5.896 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.623 4.355 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.499 5.587 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.370 7.103 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.804 4.846 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.348 6.503 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.055 5.532 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.681 6.138 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.681 7.898 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.027 8.272 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.821 7.642 4.766 1.00 0.00 H new ATOM 280 N CYS A 19 10.656 7.410 8.135 1.00 0.00 N ATOM 281 CA CYS A 19 10.406 8.751 8.618 1.00 0.00 C ATOM 282 C CYS A 19 9.296 8.836 9.680 1.00 0.00 C ATOM 283 O CYS A 19 8.963 9.945 10.088 1.00 0.00 O ATOM 284 CB CYS A 19 10.109 9.629 7.404 1.00 0.00 C ATOM 285 SG CYS A 19 8.638 9.251 6.421 1.00 0.00 S ATOM 0 H CYS A 19 9.802 6.870 7.994 1.00 0.00 H new ATOM 0 HA CYS A 19 11.294 9.105 9.142 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.024 10.659 7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.973 9.586 6.741 1.00 0.00 H new ATOM 290 N ASP A 20 8.728 7.703 10.123 1.00 0.00 N ATOM 291 CA ASP A 20 7.731 7.575 11.198 1.00 0.00 C ATOM 292 C ASP A 20 6.445 8.388 10.969 1.00 0.00 C ATOM 293 O ASP A 20 5.663 8.620 11.889 1.00 0.00 O ATOM 294 CB ASP A 20 8.394 7.826 12.564 1.00 0.00 C ATOM 295 CG ASP A 20 7.558 7.305 13.740 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.030 6.175 13.617 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.516 8.011 14.772 1.00 0.00 O ATOM 0 H ASP A 20 8.966 6.798 9.716 1.00 0.00 H new ATOM 0 HA ASP A 20 7.371 6.546 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.373 7.346 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.561 8.896 12.690 1.00 0.00 H new ATOM 302 N GLY A 21 6.190 8.820 9.727 1.00 0.00 N ATOM 303 CA GLY A 21 5.002 9.612 9.428 1.00 0.00 C ATOM 304 C GLY A 21 3.764 8.727 9.452 1.00 0.00 C ATOM 305 O GLY A 21 3.828 7.562 9.077 1.00 0.00 O ATOM 0 H GLY A 21 6.789 8.633 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.898 10.416 10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.105 10.081 8.449 1.00 0.00 H new ATOM 309 N ARG A 22 2.628 9.296 9.849 1.00 0.00 N ATOM 310 CA ARG A 22 1.335 8.612 9.932 1.00 0.00 C ATOM 311 C ARG A 22 0.880 8.238 8.524 1.00 0.00 C ATOM 312 O ARG A 22 0.577 9.145 7.747 1.00 0.00 O ATOM 313 CB ARG A 22 0.338 9.545 10.647 1.00 0.00 C ATOM 314 CG ARG A 22 -1.071 8.970 10.889 1.00 0.00 C ATOM 315 CD ARG A 22 -2.131 9.479 9.894 1.00 0.00 C ATOM 316 NE ARG A 22 -3.493 9.150 10.360 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.617 9.118 9.626 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.653 9.633 8.397 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.702 8.523 10.123 1.00 0.00 N ATOM 0 H ARG A 22 2.578 10.275 10.131 1.00 0.00 H new ATOM 0 HA ARG A 22 1.405 7.689 10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.763 9.829 11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.240 10.458 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.024 7.883 10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.387 9.221 11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.034 10.558 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.960 9.033 8.914 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.591 8.922 11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.817 10.061 7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.516 9.599 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.672 8.099 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.562 8.492 9.576 1.00 0.00 H new ATOM 333 N ILE A 23 0.802 6.941 8.191 1.00 0.00 N ATOM 334 CA ILE A 23 0.316 6.502 6.887 1.00 0.00 C ATOM 335 C ILE A 23 -0.959 5.688 7.075 1.00 0.00 C ATOM 336 O ILE A 23 -0.936 4.532 7.487 1.00 0.00 O ATOM 337 CB ILE A 23 1.340 5.721 6.031 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.799 6.202 6.122 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.826 5.860 4.580 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.757 5.326 5.299 1.00 0.00 C ATOM 0 H ILE A 23 1.072 6.180 8.814 1.00 0.00 H new ATOM 0 HA ILE A 23 0.121 7.410 6.317 1.00 0.00 H new ATOM 0 HB ILE A 23 1.393 4.696 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.862 7.232 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.115 6.200 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.498 5.332 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.174 5.432 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.790 6.914 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.773 5.707 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.718 4.300 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.460 5.348 4.250 1.00 0.00 H new ATOM 352 N GLU A 24 -2.086 6.299 6.737 1.00 0.00 N ATOM 353 CA GLU A 24 -3.373 5.641 6.632 1.00 0.00 C ATOM 354 C GLU A 24 -3.447 4.915 5.289 1.00 0.00 C ATOM 355 O GLU A 24 -3.919 5.468 4.288 1.00 0.00 O ATOM 356 CB GLU A 24 -4.412 6.731 6.828 1.00 0.00 C ATOM 357 CG GLU A 24 -5.862 6.263 6.828 1.00 0.00 C ATOM 358 CD GLU A 24 -6.714 7.405 7.408 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.604 8.551 6.925 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.377 7.206 8.455 1.00 0.00 O ATOM 0 H GLU A 24 -2.127 7.295 6.523 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.545 4.869 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.211 7.234 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.288 7.473 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.186 6.018 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.973 5.359 7.426 1.00 0.00 H new ATOM 367 N LEU A 25 -2.912 3.688 5.257 1.00 0.00 N ATOM 368 CA LEU A 25 -2.723 2.925 4.034 1.00 0.00 C ATOM 369 C LEU A 25 -4.080 2.518 3.487 1.00 0.00 C ATOM 370 O LEU A 25 -4.662 1.509 3.893 1.00 0.00 O ATOM 371 CB LEU A 25 -1.873 1.674 4.239 1.00 0.00 C ATOM 372 CG LEU A 25 -0.506 1.907 4.893 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.126 0.575 5.283 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.419 2.602 3.892 1.00 0.00 C ATOM 0 H LEU A 25 -2.597 3.198 6.094 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.191 3.567 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.435 0.970 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.717 1.199 3.271 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.643 2.522 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.096 0.754 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.523 0.057 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.257 -0.040 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.393 2.770 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.538 1.973 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.014 3.559 3.600 1.00 0.00 H new ATOM 386 N THR A 26 -4.597 3.343 2.591 1.00 0.00 N ATOM 387 CA THR A 26 -5.927 3.187 2.062 1.00 0.00 C ATOM 388 C THR A 26 -5.803 2.248 0.854 1.00 0.00 C ATOM 389 O THR A 26 -5.344 2.634 -0.223 1.00 0.00 O ATOM 390 CB THR A 26 -6.566 4.560 1.877 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.344 5.354 3.039 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.092 4.407 1.778 1.00 0.00 C ATOM 0 H THR A 26 -4.094 4.145 2.212 1.00 0.00 H new ATOM 0 HA THR A 26 -6.644 2.702 2.724 1.00 0.00 H new ATOM 0 HB THR A 26 -6.137 5.013 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.385 5.383 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.548 5.388 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.340 3.774 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.472 3.950 2.692 1.00 0.00 H new ATOM 400 N VAL A 27 -6.112 0.971 1.085 1.00 0.00 N ATOM 401 CA VAL A 27 -6.033 -0.102 0.097 1.00 0.00 C ATOM 402 C VAL A 27 -7.471 -0.654 0.022 1.00 0.00 C ATOM 403 O VAL A 27 -8.069 -1.044 1.031 1.00 0.00 O ATOM 404 CB VAL A 27 -4.863 -1.092 0.429 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.572 -0.312 0.730 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.190 -1.954 1.660 1.00 0.00 C ATOM 0 H VAL A 27 -6.435 0.646 1.996 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.745 0.203 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.730 -1.734 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.769 -1.012 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.296 0.285 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.735 0.345 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.359 -2.629 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.352 -1.309 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.091 -2.536 1.468 1.00 0.00 H new ATOM 416 N GLU A 28 -8.101 -0.546 -1.148 1.00 0.00 N ATOM 417 CA GLU A 28 -9.420 -1.123 -1.383 1.00 0.00 C ATOM 418 C GLU A 28 -9.221 -2.617 -1.640 1.00 0.00 C ATOM 419 O GLU A 28 -8.711 -2.984 -2.699 1.00 0.00 O ATOM 420 CB GLU A 28 -10.196 -0.422 -2.518 1.00 0.00 C ATOM 421 CG GLU A 28 -10.093 1.108 -2.450 1.00 0.00 C ATOM 422 CD GLU A 28 -11.203 1.836 -3.210 1.00 0.00 C ATOM 423 OE1 GLU A 28 -11.047 2.105 -4.423 1.00 0.00 O ATOM 424 OE2 GLU A 28 -12.195 2.256 -2.572 1.00 0.00 O ATOM 0 H GLU A 28 -7.712 -0.058 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.048 -0.972 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.814 -0.765 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.245 -0.714 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.117 1.418 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.128 1.416 -2.852 1.00 0.00 H new ATOM 431 N SER A 29 -9.565 -3.477 -0.673 1.00 0.00 N ATOM 432 CA SER A 29 -9.645 -4.912 -0.919 1.00 0.00 C ATOM 433 C SER A 29 -10.501 -5.606 0.122 1.00 0.00 C ATOM 434 O SER A 29 -10.602 -5.143 1.257 1.00 0.00 O ATOM 435 CB SER A 29 -8.261 -5.553 -0.876 1.00 0.00 C ATOM 436 OG SER A 29 -8.259 -6.649 -1.766 1.00 0.00 O ATOM 0 H SER A 29 -9.791 -3.200 0.282 1.00 0.00 H new ATOM 0 HA SER A 29 -10.089 -5.031 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.497 -4.830 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.025 -5.883 0.136 1.00 0.00 H new ATOM 0 HG SER A 29 -7.339 -6.957 -1.903 1.00 0.00 H new ATOM 442 N SER A 30 -11.047 -6.761 -0.258 1.00 0.00 N ATOM 443 CA SER A 30 -11.837 -7.629 0.598 1.00 0.00 C ATOM 444 C SER A 30 -11.074 -7.919 1.892 1.00 0.00 C ATOM 445 O SER A 30 -9.855 -8.097 1.866 1.00 0.00 O ATOM 446 CB SER A 30 -12.129 -8.920 -0.173 1.00 0.00 C ATOM 447 OG SER A 30 -12.603 -8.604 -1.475 1.00 0.00 O ATOM 0 H SER A 30 -10.944 -7.126 -1.205 1.00 0.00 H new ATOM 0 HA SER A 30 -12.777 -7.149 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.226 -9.526 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.871 -9.514 0.361 1.00 0.00 H new ATOM 0 HG SER A 30 -12.787 -9.432 -1.966 1.00 0.00 H new ATOM 453 N ALA A 31 -11.780 -7.971 3.025 1.00 0.00 N ATOM 454 CA ALA A 31 -11.148 -7.946 4.342 1.00 0.00 C ATOM 455 C ALA A 31 -10.080 -9.034 4.531 1.00 0.00 C ATOM 456 O ALA A 31 -9.065 -8.771 5.172 1.00 0.00 O ATOM 457 CB ALA A 31 -12.223 -8.036 5.430 1.00 0.00 C ATOM 0 H ALA A 31 -12.798 -8.031 3.053 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.617 -6.998 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.750 -8.017 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.904 -7.190 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.781 -8.965 5.314 1.00 0.00 H new ATOM 463 N GLU A 32 -10.266 -10.229 3.960 1.00 0.00 N ATOM 464 CA GLU A 32 -9.317 -11.326 4.097 1.00 0.00 C ATOM 465 C GLU A 32 -8.174 -11.276 3.079 1.00 0.00 C ATOM 466 O GLU A 32 -7.074 -11.760 3.354 1.00 0.00 O ATOM 467 CB GLU A 32 -10.050 -12.664 4.029 1.00 0.00 C ATOM 468 CG GLU A 32 -10.580 -13.023 5.427 1.00 0.00 C ATOM 469 CD GLU A 32 -11.342 -14.348 5.453 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.696 -15.384 5.183 1.00 0.00 O ATOM 471 OE2 GLU A 32 -12.547 -14.305 5.781 1.00 0.00 O ATOM 0 H GLU A 32 -11.081 -10.457 3.391 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.848 -11.216 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.875 -12.605 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.377 -13.443 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.744 -13.077 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.236 -12.226 5.777 1.00 0.00 H new ATOM 478 N ASP A 33 -8.395 -10.646 1.926 1.00 0.00 N ATOM 479 CA ASP A 33 -7.353 -10.323 0.969 1.00 0.00 C ATOM 480 C ASP A 33 -6.427 -9.270 1.598 1.00 0.00 C ATOM 481 O ASP A 33 -5.205 -9.438 1.629 1.00 0.00 O ATOM 482 CB ASP A 33 -8.032 -9.867 -0.328 1.00 0.00 C ATOM 483 CG ASP A 33 -7.042 -9.457 -1.405 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.601 -8.283 -1.332 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.822 -10.269 -2.331 1.00 0.00 O ATOM 0 H ASP A 33 -9.323 -10.343 1.631 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.725 -11.178 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.658 -10.675 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.692 -9.027 -0.110 1.00 0.00 H new ATOM 490 N LEU A 34 -7.031 -8.260 2.240 1.00 0.00 N ATOM 491 CA LEU A 34 -6.344 -7.273 3.069 1.00 0.00 C ATOM 492 C LEU A 34 -5.574 -7.958 4.197 1.00 0.00 C ATOM 493 O LEU A 34 -4.405 -7.676 4.427 1.00 0.00 O ATOM 494 CB LEU A 34 -7.348 -6.230 3.590 1.00 0.00 C ATOM 495 CG LEU A 34 -6.779 -5.335 4.716 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.294 -3.911 4.545 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.188 -5.793 6.127 1.00 0.00 C ATOM 0 H LEU A 34 -8.038 -8.107 2.192 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.609 -6.743 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.667 -5.598 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.236 -6.744 3.959 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.694 -5.400 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.893 -3.281 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.976 -3.523 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.383 -3.909 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.754 -5.121 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.274 -5.777 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.825 -6.806 6.300 1.00 0.00 H new ATOM 509 N ARG A 35 -6.242 -8.860 4.906 1.00 0.00 N ATOM 510 CA ARG A 35 -5.701 -9.626 6.028 1.00 0.00 C ATOM 511 C ARG A 35 -4.474 -10.378 5.570 1.00 0.00 C ATOM 512 O ARG A 35 -3.470 -10.345 6.269 1.00 0.00 O ATOM 513 CB ARG A 35 -6.715 -10.627 6.604 1.00 0.00 C ATOM 514 CG ARG A 35 -6.192 -11.301 7.881 1.00 0.00 C ATOM 515 CD ARG A 35 -7.194 -12.296 8.472 1.00 0.00 C ATOM 516 NE ARG A 35 -6.576 -13.046 9.580 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.186 -13.936 10.376 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.479 -14.220 10.216 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.489 -14.543 11.339 1.00 0.00 N ATOM 0 H ARG A 35 -7.216 -9.089 4.709 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.454 -8.916 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.650 -10.111 6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.938 -11.389 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.259 -11.819 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.963 -10.537 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.076 -11.765 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.530 -12.987 7.699 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.587 -12.871 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.015 -13.758 9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.932 -14.899 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.500 -14.329 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.946 -15.221 11.949 1.00 0.00 H new ATOM 533 N THR A 36 -4.567 -11.052 4.428 1.00 0.00 N ATOM 534 CA THR A 36 -3.461 -11.782 3.826 1.00 0.00 C ATOM 535 C THR A 36 -2.285 -10.822 3.599 1.00 0.00 C ATOM 536 O THR A 36 -1.174 -11.103 4.051 1.00 0.00 O ATOM 537 CB THR A 36 -3.928 -12.511 2.554 1.00 0.00 C ATOM 538 OG1 THR A 36 -5.080 -13.288 2.830 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.850 -13.479 2.054 1.00 0.00 C ATOM 0 H THR A 36 -5.430 -11.106 3.887 1.00 0.00 H new ATOM 0 HA THR A 36 -3.105 -12.564 4.497 1.00 0.00 H new ATOM 0 HB THR A 36 -4.137 -11.749 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.882 -12.736 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.203 -13.983 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.940 -12.924 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.640 -14.220 2.826 1.00 0.00 H new ATOM 547 N LEU A 37 -2.533 -9.647 3.007 1.00 0.00 N ATOM 548 CA LEU A 37 -1.521 -8.592 2.878 1.00 0.00 C ATOM 549 C LEU A 37 -0.994 -8.161 4.260 1.00 0.00 C ATOM 550 O LEU A 37 0.196 -7.905 4.418 1.00 0.00 O ATOM 551 CB LEU A 37 -2.067 -7.440 1.995 1.00 0.00 C ATOM 552 CG LEU A 37 -2.208 -6.043 2.644 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.883 -5.248 2.575 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.305 -5.225 1.951 1.00 0.00 C ATOM 0 H LEU A 37 -3.438 -9.402 2.605 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.643 -8.973 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.413 -7.343 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.047 -7.738 1.623 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.473 -6.207 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.020 -4.272 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.102 -5.796 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.592 -5.116 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.384 -4.247 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.054 -5.098 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.258 -5.748 2.036 1.00 0.00 H new ATOM 566 N GLN A 38 -1.843 -8.130 5.290 1.00 0.00 N ATOM 567 CA GLN A 38 -1.445 -7.791 6.643 1.00 0.00 C ATOM 568 C GLN A 38 -0.608 -8.917 7.273 1.00 0.00 C ATOM 569 O GLN A 38 0.225 -8.642 8.134 1.00 0.00 O ATOM 570 CB GLN A 38 -2.693 -7.416 7.448 1.00 0.00 C ATOM 571 CG GLN A 38 -2.366 -6.708 8.767 1.00 0.00 C ATOM 572 CD GLN A 38 -3.562 -5.878 9.230 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.480 -4.665 9.373 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.715 -6.506 9.428 1.00 0.00 N ATOM 0 H GLN A 38 -2.836 -8.343 5.198 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.788 -6.921 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.328 -6.769 6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.267 -8.318 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.108 -7.444 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.496 -6.065 8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.773 -7.517 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.543 -5.977 9.702 1.00 0.00 H new ATOM 583 N GLN A 39 -0.755 -10.170 6.819 1.00 0.00 N ATOM 584 CA GLN A 39 0.132 -11.253 7.205 1.00 0.00 C ATOM 585 C GLN A 39 1.494 -11.060 6.534 1.00 0.00 C ATOM 586 O GLN A 39 2.514 -11.282 7.181 1.00 0.00 O ATOM 587 CB GLN A 39 -0.430 -12.647 6.900 1.00 0.00 C ATOM 588 CG GLN A 39 -1.864 -12.926 7.373 1.00 0.00 C ATOM 589 CD GLN A 39 -2.220 -12.386 8.759 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.952 -13.006 9.779 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.880 -11.237 8.818 1.00 0.00 N ATOM 0 H GLN A 39 -1.494 -10.451 6.175 1.00 0.00 H new ATOM 0 HA GLN A 39 0.237 -11.209 8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.390 -12.803 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.229 -13.387 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.556 -12.499 6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.025 -14.004 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.098 -10.729 7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.170 -10.861 9.721 1.00 0.00 H new ATOM 600 N LEU A 40 1.532 -10.588 5.277 1.00 0.00 N ATOM 601 CA LEU A 40 2.785 -10.168 4.643 1.00 0.00 C ATOM 602 C LEU A 40 3.429 -9.016 5.429 1.00 0.00 C ATOM 603 O LEU A 40 4.648 -8.978 5.557 1.00 0.00 O ATOM 604 CB LEU A 40 2.590 -9.770 3.168 1.00 0.00 C ATOM 605 CG LEU A 40 1.946 -10.840 2.267 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.741 -10.267 0.861 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.782 -12.123 2.185 1.00 0.00 C ATOM 0 H LEU A 40 0.708 -10.489 4.683 1.00 0.00 H new ATOM 0 HA LEU A 40 3.455 -11.028 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.973 -8.872 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.562 -9.507 2.750 1.00 0.00 H new ATOM 0 HG LEU A 40 0.988 -11.108 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.285 -11.024 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.088 -9.396 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.704 -9.973 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.281 -12.843 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.766 -11.891 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.894 -12.549 3.182 1.00 0.00 H new ATOM 619 N PHE A 41 2.626 -8.115 6.008 1.00 0.00 N ATOM 620 CA PHE A 41 3.072 -7.026 6.882 1.00 0.00 C ATOM 621 C PHE A 41 3.711 -7.589 8.152 1.00 0.00 C ATOM 622 O PHE A 41 4.807 -7.190 8.534 1.00 0.00 O ATOM 623 CB PHE A 41 1.883 -6.099 7.193 1.00 0.00 C ATOM 624 CG PHE A 41 2.184 -4.616 7.180 1.00 0.00 C ATOM 625 CD1 PHE A 41 3.196 -4.072 7.993 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.441 -3.771 6.335 1.00 0.00 C ATOM 627 CE1 PHE A 41 3.496 -2.701 7.922 1.00 0.00 C ATOM 628 CE2 PHE A 41 1.742 -2.403 6.267 1.00 0.00 C ATOM 629 CZ PHE A 41 2.777 -1.867 7.049 1.00 0.00 C ATOM 0 H PHE A 41 1.615 -8.125 5.876 1.00 0.00 H new ATOM 0 HA PHE A 41 3.836 -6.436 6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.093 -6.297 6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.488 -6.362 8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.743 -4.709 8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.638 -4.177 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.280 -2.288 8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.175 -1.759 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.020 -0.817 6.980 1.00 0.00 H new ATOM 639 N LEU A 42 3.033 -8.542 8.795 1.00 0.00 N ATOM 640 CA LEU A 42 3.537 -9.241 9.972 1.00 0.00 C ATOM 641 C LEU A 42 4.801 -10.058 9.661 1.00 0.00 C ATOM 642 O LEU A 42 5.660 -10.198 10.528 1.00 0.00 O ATOM 643 CB LEU A 42 2.417 -10.142 10.518 1.00 0.00 C ATOM 644 CG LEU A 42 1.325 -9.366 11.284 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.061 -10.224 11.423 1.00 0.00 C ATOM 646 CD2 LEU A 42 1.806 -8.947 12.681 1.00 0.00 C ATOM 0 H LEU A 42 2.105 -8.852 8.506 1.00 0.00 H new ATOM 0 HA LEU A 42 3.826 -8.507 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.957 -10.680 9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.853 -10.890 11.180 1.00 0.00 H new ATOM 0 HG LEU A 42 1.101 -8.467 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.701 -9.664 11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.314 -10.482 10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.299 -11.136 11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.011 -8.403 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.066 -9.835 13.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.682 -8.306 12.587 1.00 0.00 H new ATOM 658 N SER A 43 4.906 -10.602 8.445 1.00 0.00 N ATOM 659 CA SER A 43 6.026 -11.397 7.959 1.00 0.00 C ATOM 660 C SER A 43 7.249 -10.534 7.639 1.00 0.00 C ATOM 661 O SER A 43 8.322 -10.737 8.208 1.00 0.00 O ATOM 662 CB SER A 43 5.559 -12.155 6.703 1.00 0.00 C ATOM 663 OG SER A 43 6.603 -12.859 6.061 1.00 0.00 O ATOM 0 H SER A 43 4.174 -10.492 7.743 1.00 0.00 H new ATOM 0 HA SER A 43 6.334 -12.093 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.773 -12.857 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.121 -11.447 6.000 1.00 0.00 H new ATOM 0 HG SER A 43 7.197 -12.223 5.610 1.00 0.00 H new ATOM 669 N THR A 44 7.092 -9.624 6.675 1.00 0.00 N ATOM 670 CA THR A 44 8.175 -9.035 5.919 1.00 0.00 C ATOM 671 C THR A 44 7.996 -7.548 5.594 1.00 0.00 C ATOM 672 O THR A 44 8.989 -6.828 5.502 1.00 0.00 O ATOM 673 CB THR A 44 8.355 -9.812 4.589 1.00 0.00 C ATOM 674 OG1 THR A 44 7.598 -11.017 4.498 1.00 0.00 O ATOM 675 CG2 THR A 44 9.825 -10.143 4.339 1.00 0.00 C ATOM 0 H THR A 44 6.175 -9.273 6.398 1.00 0.00 H new ATOM 0 HA THR A 44 9.054 -9.108 6.560 1.00 0.00 H new ATOM 0 HB THR A 44 7.973 -9.133 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.758 -10.841 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.921 -10.688 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.402 -9.220 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.203 -10.758 5.155 1.00 0.00 H new ATOM 683 N LEU A 45 6.758 -7.113 5.345 1.00 0.00 N ATOM 684 CA LEU A 45 6.465 -5.865 4.652 1.00 0.00 C ATOM 685 C LEU A 45 6.356 -4.681 5.614 1.00 0.00 C ATOM 686 O LEU A 45 5.786 -4.788 6.695 1.00 0.00 O ATOM 687 CB LEU A 45 5.198 -6.084 3.797 1.00 0.00 C ATOM 688 CG LEU A 45 4.684 -4.868 3.006 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.053 -5.314 1.681 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.611 -4.099 3.782 1.00 0.00 C ATOM 0 H LEU A 45 5.923 -7.628 5.625 1.00 0.00 H new ATOM 0 HA LEU A 45 7.291 -5.597 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.398 -6.890 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.398 -6.426 4.454 1.00 0.00 H new ATOM 0 HG LEU A 45 5.547 -4.226 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.695 -4.440 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.798 -5.836 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.216 -5.983 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.274 -3.248 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.766 -4.758 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.028 -3.743 4.724 1.00 0.00 H new ATOM 702 N SER A 46 6.832 -3.526 5.157 1.00 0.00 N ATOM 703 CA SER A 46 6.678 -2.196 5.721 1.00 0.00 C ATOM 704 C SER A 46 6.153 -1.257 4.616 1.00 0.00 C ATOM 705 O SER A 46 5.890 -1.686 3.486 1.00 0.00 O ATOM 706 CB SER A 46 8.012 -1.745 6.356 1.00 0.00 C ATOM 707 OG SER A 46 9.159 -2.264 5.706 1.00 0.00 O ATOM 0 H SER A 46 7.387 -3.500 4.302 1.00 0.00 H new ATOM 0 HA SER A 46 5.946 -2.179 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.060 -0.656 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.028 -2.052 7.402 1.00 0.00 H new ATOM 0 HG SER A 46 9.886 -1.608 5.751 1.00 0.00 H new ATOM 713 N PHE A 47 5.948 0.030 4.928 1.00 0.00 N ATOM 714 CA PHE A 47 5.411 0.994 3.976 1.00 0.00 C ATOM 715 C PHE A 47 6.114 2.340 4.079 1.00 0.00 C ATOM 716 O PHE A 47 6.681 2.702 5.117 1.00 0.00 O ATOM 717 CB PHE A 47 3.894 1.152 4.150 1.00 0.00 C ATOM 718 CG PHE A 47 3.111 0.709 2.931 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.986 1.557 1.812 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.497 -0.554 2.920 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.222 1.149 0.705 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.731 -0.962 1.815 1.00 0.00 C ATOM 723 CZ PHE A 47 1.584 -0.105 0.712 1.00 0.00 C ATOM 0 H PHE A 47 6.151 0.425 5.846 1.00 0.00 H new ATOM 0 HA PHE A 47 5.600 0.603 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.570 0.572 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.665 2.196 4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.477 2.519 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.614 -1.215 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.125 1.799 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.256 -1.932 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.981 -0.409 -0.131 1.00 0.00 H new ATOM 733 N VAL A 48 6.055 3.055 2.953 1.00 0.00 N ATOM 734 CA VAL A 48 6.884 4.182 2.600 1.00 0.00 C ATOM 735 C VAL A 48 6.014 5.160 1.784 1.00 0.00 C ATOM 736 O VAL A 48 5.742 4.942 0.608 1.00 0.00 O ATOM 737 CB VAL A 48 8.167 3.614 1.936 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.996 4.556 1.071 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.137 3.131 3.026 1.00 0.00 C ATOM 0 H VAL A 48 5.377 2.837 2.223 1.00 0.00 H new ATOM 0 HA VAL A 48 7.249 4.782 3.433 1.00 0.00 H new ATOM 0 HB VAL A 48 7.765 2.842 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.859 4.021 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.386 4.923 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.336 5.398 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.038 2.732 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.403 3.967 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.659 2.351 3.619 1.00 0.00 H new ATOM 749 N CYS A 49 5.496 6.203 2.449 1.00 0.00 N ATOM 750 CA CYS A 49 4.572 7.209 1.891 1.00 0.00 C ATOM 751 C CYS A 49 5.216 7.924 0.688 1.00 0.00 C ATOM 752 O CYS A 49 6.439 8.069 0.650 1.00 0.00 O ATOM 753 CB CYS A 49 4.235 8.214 3.008 1.00 0.00 C ATOM 754 SG CYS A 49 5.628 8.806 4.018 1.00 0.00 S ATOM 0 H CYS A 49 5.716 6.378 3.429 1.00 0.00 H new ATOM 0 HA CYS A 49 3.661 6.729 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.752 9.079 2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.504 7.753 3.672 1.00 0.00 H new ATOM 759 N PRO A 50 4.427 8.459 -0.269 1.00 0.00 N ATOM 760 CA PRO A 50 4.976 9.042 -1.497 1.00 0.00 C ATOM 761 C PRO A 50 5.916 10.234 -1.252 1.00 0.00 C ATOM 762 O PRO A 50 6.816 10.479 -2.061 1.00 0.00 O ATOM 763 CB PRO A 50 3.767 9.414 -2.365 1.00 0.00 C ATOM 764 CG PRO A 50 2.605 9.493 -1.376 1.00 0.00 C ATOM 765 CD PRO A 50 2.971 8.442 -0.332 1.00 0.00 C ATOM 0 HA PRO A 50 5.619 8.319 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.921 10.365 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.584 8.665 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.517 10.486 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.651 9.271 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.532 8.679 0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.600 7.457 -0.617 1.00 0.00 H new ATOM 773 N TRP A 51 5.751 10.933 -0.119 1.00 0.00 N ATOM 774 CA TRP A 51 6.641 11.982 0.353 1.00 0.00 C ATOM 775 C TRP A 51 8.062 11.436 0.482 1.00 0.00 C ATOM 776 O TRP A 51 8.931 11.830 -0.298 1.00 0.00 O ATOM 777 CB TRP A 51 6.118 12.560 1.680 1.00 0.00 C ATOM 778 CG TRP A 51 7.096 13.404 2.445 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.826 14.423 1.936 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.498 13.291 3.846 1.00 0.00 C ATOM 781 NE1 TRP A 51 8.670 14.923 2.905 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.509 14.264 4.106 1.00 0.00 C ATOM 783 CE3 TRP A 51 7.113 12.466 4.926 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.114 14.403 5.366 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.701 12.606 6.198 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.704 13.567 6.417 1.00 0.00 C ATOM 0 H TRP A 51 4.964 10.771 0.509 1.00 0.00 H new ATOM 0 HA TRP A 51 6.666 12.798 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.232 13.160 1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.801 11.734 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.758 14.790 0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.331 15.685 2.753 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.353 11.714 4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.884 15.143 5.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.380 11.971 7.010 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.158 13.662 7.392 1.00 0.00 H new ATOM 797 N CYS A 52 8.311 10.527 1.432 1.00 0.00 N ATOM 798 CA CYS A 52 9.642 9.957 1.589 1.00 0.00 C ATOM 799 C CYS A 52 10.026 9.104 0.398 1.00 0.00 C ATOM 800 O CYS A 52 11.209 8.991 0.101 1.00 0.00 O ATOM 801 CB CYS A 52 9.740 9.101 2.838 1.00 0.00 C ATOM 802 SG CYS A 52 8.661 7.663 2.882 1.00 0.00 S ATOM 0 H CYS A 52 7.616 10.178 2.092 1.00 0.00 H new ATOM 0 HA CYS A 52 10.326 10.802 1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.771 8.763 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.518 9.726 3.703 1.00 0.00 H new ATOM 807 N ALA A 53 9.057 8.519 -0.313 1.00 0.00 N ATOM 808 CA ALA A 53 9.421 7.724 -1.460 1.00 0.00 C ATOM 809 C ALA A 53 10.141 8.591 -2.500 1.00 0.00 C ATOM 810 O ALA A 53 11.109 8.134 -3.112 1.00 0.00 O ATOM 811 CB ALA A 53 8.194 7.073 -2.090 1.00 0.00 C ATOM 0 H ALA A 53 8.058 8.583 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 53 10.093 6.935 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.499 6.480 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.709 6.427 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.496 7.846 -2.410 1.00 0.00 H new ATOM 817 N THR A 54 9.672 9.837 -2.651 1.00 0.00 N ATOM 818 CA THR A 54 10.242 10.878 -3.496 1.00 0.00 C ATOM 819 C THR A 54 11.512 11.475 -2.868 1.00 0.00 C ATOM 820 O THR A 54 12.520 11.621 -3.554 1.00 0.00 O ATOM 821 CB THR A 54 9.171 11.968 -3.721 1.00 0.00 C ATOM 822 OG1 THR A 54 7.956 11.396 -4.164 1.00 0.00 O ATOM 823 CG2 THR A 54 9.602 13.013 -4.755 1.00 0.00 C ATOM 0 H THR A 54 8.839 10.156 -2.157 1.00 0.00 H new ATOM 0 HA THR A 54 10.536 10.447 -4.453 1.00 0.00 H new ATOM 0 HB THR A 54 9.039 12.458 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.457 11.052 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.812 13.755 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.514 13.505 -4.417 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.787 12.524 -5.711 1.00 0.00 H new ATOM 831 N ASN A 55 11.464 11.851 -1.581 1.00 0.00 N ATOM 832 CA ASN A 55 12.529 12.610 -0.900 1.00 0.00 C ATOM 833 C ASN A 55 13.692 11.728 -0.441 1.00 0.00 C ATOM 834 O ASN A 55 14.737 12.244 -0.050 1.00 0.00 O ATOM 835 CB ASN A 55 11.962 13.391 0.298 1.00 0.00 C ATOM 836 CG ASN A 55 11.147 14.585 -0.173 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.593 15.723 -0.134 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.947 14.341 -0.675 1.00 0.00 N ATOM 0 H ASN A 55 10.674 11.634 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 55 12.925 13.308 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.337 12.734 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.778 13.731 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.380 15.108 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.589 13.386 -0.700 1.00 0.00 H new ATOM 845 N GLN A 56 13.499 10.414 -0.530 1.00 0.00 N ATOM 846 CA GLN A 56 14.352 9.347 -0.024 1.00 0.00 C ATOM 847 C GLN A 56 14.413 9.379 1.506 1.00 0.00 C ATOM 848 O GLN A 56 15.404 8.884 2.091 1.00 0.00 O ATOM 849 CB GLN A 56 15.714 9.356 -0.747 1.00 0.00 C ATOM 850 CG GLN A 56 16.474 8.024 -0.626 1.00 0.00 C ATOM 851 CD GLN A 56 16.851 7.473 -1.998 1.00 0.00 C ATOM 852 OE1 GLN A 56 16.058 6.775 -2.629 1.00 0.00 O ATOM 853 NE2 GLN A 56 18.043 7.778 -2.494 1.00 0.00 N ATOM 0 H GLN A 56 12.673 10.040 -0.997 1.00 0.00 H new ATOM 0 HA GLN A 56 13.920 8.374 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.557 9.582 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.330 10.157 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.375 8.170 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.857 7.298 -0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 56 18.686 8.358 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.316 7.433 -3.414 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 18.124 7.651 8.566 1.00 0.00 N ATOM 864 CA GLY B 1 19.321 6.905 8.990 1.00 0.00 C ATOM 865 C GLY B 1 20.380 6.970 7.902 1.00 0.00 C ATOM 866 O GLY B 1 20.464 7.977 7.206 1.00 0.00 O ATOM 0 H1 GLY B 1 17.829 8.296 9.327 1.00 0.00 H new ATOM 0 H2 GLY B 1 18.343 8.201 7.711 1.00 0.00 H new ATOM 0 H3 GLY B 1 17.354 6.983 8.360 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.713 7.324 9.917 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.060 5.867 9.195 1.00 0.00 H new ATOM 870 N SER B 2 21.157 5.898 7.740 1.00 0.00 N ATOM 871 CA SER B 2 22.078 5.673 6.631 1.00 0.00 C ATOM 872 C SER B 2 21.990 4.186 6.262 1.00 0.00 C ATOM 873 O SER B 2 21.169 3.474 6.842 1.00 0.00 O ATOM 874 CB SER B 2 23.492 6.120 7.035 1.00 0.00 C ATOM 875 OG SER B 2 23.989 5.353 8.118 1.00 0.00 O ATOM 0 H SER B 2 21.160 5.129 8.410 1.00 0.00 H new ATOM 0 HA SER B 2 21.818 6.262 5.751 1.00 0.00 H new ATOM 0 HB2 SER B 2 24.163 6.024 6.181 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.477 7.174 7.311 1.00 0.00 H new ATOM 0 HG SER B 2 24.316 4.491 7.786 1.00 0.00 H new ATOM 881 N HIS B 3 22.800 3.719 5.301 1.00 0.00 N ATOM 882 CA HIS B 3 22.937 2.321 4.855 1.00 0.00 C ATOM 883 C HIS B 3 21.677 1.684 4.237 1.00 0.00 C ATOM 884 O HIS B 3 21.804 0.684 3.534 1.00 0.00 O ATOM 885 CB HIS B 3 23.503 1.444 5.988 1.00 0.00 C ATOM 886 CG HIS B 3 24.887 1.837 6.448 1.00 0.00 C ATOM 887 ND1 HIS B 3 25.224 2.931 7.218 1.00 0.00 N ATOM 888 CD2 HIS B 3 26.040 1.145 6.185 1.00 0.00 C ATOM 889 CE1 HIS B 3 26.556 2.895 7.404 1.00 0.00 C ATOM 890 NE2 HIS B 3 27.095 1.829 6.792 1.00 0.00 N ATOM 0 H HIS B 3 23.416 4.344 4.781 1.00 0.00 H new ATOM 0 HA HIS B 3 23.644 2.365 4.026 1.00 0.00 H new ATOM 0 HB2 HIS B 3 22.824 1.488 6.839 1.00 0.00 H new ATOM 0 HB3 HIS B 3 23.526 0.407 5.652 1.00 0.00 H new ATOM 0 HD2 HIS B 3 26.119 0.234 5.611 1.00 0.00 H new ATOM 0 HE1 HIS B 3 27.116 3.625 7.969 1.00 0.00 H new ATOM 0 HE2 HIS B 3 28.081 1.570 6.774 1.00 0.00 H new ATOM 898 N MET B 4 20.490 2.262 4.450 1.00 0.00 N ATOM 899 CA MET B 4 19.180 1.784 4.018 1.00 0.00 C ATOM 900 C MET B 4 18.985 1.931 2.496 1.00 0.00 C ATOM 901 O MET B 4 18.116 2.665 2.024 1.00 0.00 O ATOM 902 CB MET B 4 18.110 2.522 4.845 1.00 0.00 C ATOM 903 CG MET B 4 16.744 1.834 4.797 1.00 0.00 C ATOM 904 SD MET B 4 15.454 2.738 5.697 1.00 0.00 S ATOM 905 CE MET B 4 14.150 1.482 5.639 1.00 0.00 C ATOM 0 H MET B 4 20.419 3.139 4.966 1.00 0.00 H new ATOM 0 HA MET B 4 19.089 0.713 4.202 1.00 0.00 H new ATOM 0 HB2 MET B 4 18.441 2.590 5.881 1.00 0.00 H new ATOM 0 HB3 MET B 4 18.011 3.542 4.475 1.00 0.00 H new ATOM 0 HG2 MET B 4 16.439 1.719 3.757 1.00 0.00 H new ATOM 0 HG3 MET B 4 16.835 0.832 5.215 1.00 0.00 H new ATOM 0 HE1 MET B 4 13.229 1.894 6.052 1.00 0.00 H new ATOM 0 HE2 MET B 4 13.981 1.181 4.605 1.00 0.00 H new ATOM 0 HE3 MET B 4 14.454 0.614 6.224 1.00 0.00 H new ATOM 915 N ALA B 5 19.800 1.211 1.725 1.00 0.00 N ATOM 916 CA ALA B 5 19.732 1.016 0.300 1.00 0.00 C ATOM 917 C ALA B 5 19.563 -0.485 0.059 1.00 0.00 C ATOM 918 O ALA B 5 20.491 -1.173 -0.362 1.00 0.00 O ATOM 919 CB ALA B 5 20.963 1.628 -0.383 1.00 0.00 C ATOM 0 H ALA B 5 20.591 0.710 2.131 1.00 0.00 H new ATOM 0 HA ALA B 5 18.881 1.531 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.897 1.472 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.002 2.697 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.866 1.150 -0.002 1.00 0.00 H new ATOM 925 N GLU B 6 18.380 -0.993 0.411 1.00 0.00 N ATOM 926 CA GLU B 6 18.116 -2.412 0.621 1.00 0.00 C ATOM 927 C GLU B 6 16.908 -2.836 -0.232 1.00 0.00 C ATOM 928 O GLU B 6 16.052 -1.993 -0.525 1.00 0.00 O ATOM 929 CB GLU B 6 17.867 -2.641 2.124 1.00 0.00 C ATOM 930 CG GLU B 6 19.128 -2.402 2.972 1.00 0.00 C ATOM 931 CD GLU B 6 18.814 -2.424 4.469 1.00 0.00 C ATOM 932 OE1 GLU B 6 18.239 -1.417 4.942 1.00 0.00 O ATOM 933 OE2 GLU B 6 19.169 -3.430 5.122 1.00 0.00 O ATOM 0 H GLU B 6 17.558 -0.409 0.561 1.00 0.00 H new ATOM 0 HA GLU B 6 18.966 -3.021 0.313 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.073 -1.975 2.463 1.00 0.00 H new ATOM 0 HB3 GLU B 6 17.516 -3.661 2.280 1.00 0.00 H new ATOM 0 HG2 GLU B 6 19.870 -3.167 2.744 1.00 0.00 H new ATOM 0 HG3 GLU B 6 19.569 -1.441 2.706 1.00 0.00 H new ATOM 940 N PRO B 7 16.816 -4.118 -0.646 1.00 0.00 N ATOM 941 CA PRO B 7 15.814 -4.614 -1.591 1.00 0.00 C ATOM 942 C PRO B 7 14.439 -4.801 -0.925 1.00 0.00 C ATOM 943 O PRO B 7 13.869 -5.894 -0.936 1.00 0.00 O ATOM 944 CB PRO B 7 16.415 -5.915 -2.141 1.00 0.00 C ATOM 945 CG PRO B 7 17.177 -6.461 -0.937 1.00 0.00 C ATOM 946 CD PRO B 7 17.748 -5.189 -0.311 1.00 0.00 C ATOM 0 HA PRO B 7 15.610 -3.909 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.644 -6.606 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.074 -5.731 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.522 -6.995 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.962 -7.157 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.846 -5.297 0.769 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.743 -4.976 -0.701 1.00 0.00 H new ATOM 954 N GLN B 8 13.902 -3.718 -0.357 1.00 0.00 N ATOM 955 CA GLN B 8 12.585 -3.652 0.256 1.00 0.00 C ATOM 956 C GLN B 8 11.799 -2.482 -0.341 1.00 0.00 C ATOM 957 O GLN B 8 10.727 -2.712 -0.888 1.00 0.00 O ATOM 958 CB GLN B 8 12.679 -3.588 1.792 1.00 0.00 C ATOM 959 CG GLN B 8 12.867 -4.956 2.477 1.00 0.00 C ATOM 960 CD GLN B 8 14.198 -5.648 2.179 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.252 -5.023 2.156 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.195 -6.956 1.947 1.00 0.00 N ATOM 0 H GLN B 8 14.399 -2.829 -0.313 1.00 0.00 H new ATOM 0 HA GLN B 8 12.039 -4.568 0.032 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.512 -2.941 2.066 1.00 0.00 H new ATOM 0 HB3 GLN B 8 11.773 -3.123 2.180 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.777 -4.822 3.555 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.055 -5.615 2.169 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.317 -7.475 1.966 1.00 0.00 H new ATOM 0 HE22 GLN B 8 15.070 -7.441 1.750 1.00 0.00 H new ATOM 971 N ARG B 9 12.292 -1.238 -0.240 1.00 0.00 N ATOM 972 CA ARG B 9 11.669 -0.030 -0.805 1.00 0.00 C ATOM 973 C ARG B 9 11.410 -0.217 -2.305 1.00 0.00 C ATOM 974 O ARG B 9 12.313 -0.005 -3.113 1.00 0.00 O ATOM 975 CB ARG B 9 12.562 1.184 -0.478 1.00 0.00 C ATOM 976 CG ARG B 9 12.001 2.553 -0.829 1.00 0.00 C ATOM 977 CD ARG B 9 12.088 2.958 -2.311 1.00 0.00 C ATOM 978 NE ARG B 9 12.156 4.425 -2.492 1.00 0.00 N ATOM 979 CZ ARG B 9 13.286 5.150 -2.555 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.479 4.579 -2.407 1.00 0.00 N ATOM 981 NH2 ARG B 9 13.264 6.463 -2.774 1.00 0.00 N ATOM 0 H ARG B 9 13.163 -1.038 0.253 1.00 0.00 H new ATOM 0 HA ARG B 9 10.692 0.152 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG B 9 12.781 1.169 0.590 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.511 1.060 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG B 9 10.955 2.584 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.527 3.302 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG B 9 12.969 2.498 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG B 9 11.220 2.569 -2.843 1.00 0.00 H new ATOM 0 HE ARG B 9 11.272 4.928 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG B 9 14.547 3.575 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG B 9 15.326 5.146 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG B 9 12.373 6.944 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG B 9 14.138 6.988 -2.817 1.00 0.00 H new ATOM 995 N HIS B 10 10.192 -0.617 -2.679 1.00 0.00 N ATOM 996 CA HIS B 10 9.860 -1.123 -4.006 1.00 0.00 C ATOM 997 C HIS B 10 8.614 -0.415 -4.520 1.00 0.00 C ATOM 998 O HIS B 10 7.698 -0.112 -3.762 1.00 0.00 O ATOM 999 CB HIS B 10 9.669 -2.643 -3.971 1.00 0.00 C ATOM 1000 CG HIS B 10 10.925 -3.473 -3.802 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.988 -4.770 -3.352 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.210 -3.079 -4.047 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.274 -5.153 -3.379 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.062 -4.155 -3.802 1.00 0.00 N ATOM 0 H HIS B 10 9.391 -0.596 -2.048 1.00 0.00 H new ATOM 0 HA HIS B 10 10.683 -0.916 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS B 10 8.987 -2.884 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.179 -2.948 -4.896 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.198 -5.340 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.515 -2.097 -4.376 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.627 -6.134 -3.097 1.00 0.00 H new ATOM 1012 N LYS B 11 8.587 -0.170 -5.831 1.00 0.00 N ATOM 1013 CA LYS B 11 7.762 0.849 -6.467 1.00 0.00 C ATOM 1014 C LYS B 11 6.886 0.208 -7.540 1.00 0.00 C ATOM 1015 O LYS B 11 7.292 0.108 -8.697 1.00 0.00 O ATOM 1016 CB LYS B 11 8.712 1.920 -7.027 1.00 0.00 C ATOM 1017 CG LYS B 11 9.387 2.767 -5.925 1.00 0.00 C ATOM 1018 CD LYS B 11 10.863 3.091 -6.205 1.00 0.00 C ATOM 1019 CE LYS B 11 11.090 3.848 -7.518 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.712 5.275 -7.444 1.00 0.00 N ATOM 0 H LYS B 11 9.157 -0.693 -6.496 1.00 0.00 H new ATOM 0 HA LYS B 11 7.079 1.322 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.482 1.436 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS B 11 8.155 2.579 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.836 3.700 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.316 2.235 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.258 3.685 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.431 2.161 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.141 3.772 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.515 3.368 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 10.304 5.574 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.010 5.409 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.556 5.847 -7.239 1.00 0.00 H new ATOM 1034 N ILE B 12 5.700 -0.259 -7.148 1.00 0.00 N ATOM 1035 CA ILE B 12 4.749 -0.879 -8.064 1.00 0.00 C ATOM 1036 C ILE B 12 3.957 0.256 -8.708 1.00 0.00 C ATOM 1037 O ILE B 12 3.080 0.840 -8.083 1.00 0.00 O ATOM 1038 CB ILE B 12 3.812 -1.888 -7.359 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.549 -2.840 -6.391 1.00 0.00 C ATOM 1040 CG2 ILE B 12 3.045 -2.661 -8.448 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.586 -3.566 -5.447 1.00 0.00 C ATOM 0 H ILE B 12 5.373 -0.217 -6.183 1.00 0.00 H new ATOM 0 HA ILE B 12 5.284 -1.463 -8.813 1.00 0.00 H new ATOM 0 HB ILE B 12 3.119 -1.336 -6.724 1.00 0.00 H new ATOM 0 HG12 ILE B 12 5.114 -3.574 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.270 -2.271 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.375 -3.382 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.463 -1.962 -9.049 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.753 -3.187 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.151 -4.223 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.040 -2.835 -4.851 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.881 -4.157 -6.031 1.00 0.00 H new ATOM 1053 N LEU B 13 4.270 0.619 -9.945 1.00 0.00 N ATOM 1054 CA LEU B 13 3.510 1.612 -10.671 1.00 0.00 C ATOM 1055 C LEU B 13 2.131 1.043 -10.985 1.00 0.00 C ATOM 1056 O LEU B 13 2.001 0.069 -11.724 1.00 0.00 O ATOM 1057 CB LEU B 13 4.279 2.074 -11.907 1.00 0.00 C ATOM 1058 CG LEU B 13 3.641 3.343 -12.507 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.751 4.204 -13.105 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.586 3.029 -13.576 1.00 0.00 C ATOM 0 H LEU B 13 5.056 0.231 -10.467 1.00 0.00 H new ATOM 0 HA LEU B 13 3.363 2.506 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.317 2.274 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.289 1.279 -12.653 1.00 0.00 H new ATOM 0 HG LEU B 13 3.123 3.873 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.319 5.108 -13.535 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.460 4.477 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.267 3.643 -13.884 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.171 3.960 -13.963 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.048 2.472 -14.391 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.788 2.432 -13.135 1.00 0.00 H new ATOM 1072 N CYS B 14 1.115 1.665 -10.395 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.295 1.358 -10.551 1.00 0.00 C ATOM 1074 C CYS B 14 -1.031 2.640 -10.973 1.00 0.00 C ATOM 1075 O CYS B 14 -0.414 3.682 -11.216 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.790 0.810 -9.199 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.420 0.010 -9.286 1.00 0.00 S ATOM 0 H CYS B 14 1.269 2.445 -9.756 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.481 0.610 -11.322 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.063 0.092 -8.820 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -0.835 1.628 -8.480 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.352 0.909 -9.167 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.361 2.583 -11.020 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.217 3.759 -10.957 1.00 0.00 C ATOM 1085 C VAL B 15 -3.941 3.762 -9.609 1.00 0.00 C ATOM 1086 O VAL B 15 -4.042 2.728 -8.940 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.200 3.827 -12.147 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.449 4.065 -13.464 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.087 2.578 -12.267 1.00 0.00 C ATOM 0 H VAL B 15 -2.877 1.707 -11.104 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.603 4.656 -11.036 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.860 4.671 -11.947 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -4.162 4.109 -14.287 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.903 5.007 -13.406 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.747 3.249 -13.635 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.755 2.687 -13.121 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.459 1.698 -12.407 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.677 2.462 -11.358 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.470 4.926 -9.231 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.496 5.056 -8.222 1.00 0.00 C ATOM 1101 C CYS B 16 -6.745 4.354 -8.738 1.00 0.00 C ATOM 1102 O CYS B 16 -7.195 4.635 -9.848 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.821 6.532 -7.966 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.935 6.588 -6.539 1.00 0.00 S ATOM 0 H CYS B 16 -4.184 5.819 -9.633 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.150 4.614 -7.288 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.911 7.099 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.292 6.981 -8.841 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.177 7.826 -6.226 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.333 3.519 -7.887 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.548 2.759 -8.149 1.00 0.00 C ATOM 1111 C CYS B 17 -9.681 3.655 -8.666 1.00 0.00 C ATOM 1112 O CYS B 17 -10.437 3.240 -9.541 1.00 0.00 O ATOM 1113 CB CYS B 17 -8.951 2.068 -6.841 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.305 0.894 -7.091 1.00 0.00 S ATOM 0 H CYS B 17 -6.958 3.347 -6.954 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.360 2.023 -8.931 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.089 1.546 -6.425 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.251 2.819 -6.111 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.132 0.967 -6.091 1.00 0.00 H new ATOM 1120 N LYS B 18 -9.802 4.882 -8.133 1.00 0.00 N ATOM 1121 CA LYS B 18 -10.933 5.758 -8.389 1.00 0.00 C ATOM 1122 C LYS B 18 -10.578 7.162 -8.876 1.00 0.00 C ATOM 1123 O LYS B 18 -11.447 7.818 -9.442 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.806 5.803 -7.138 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.123 6.318 -5.855 1.00 0.00 C ATOM 1126 CD LYS B 18 -12.180 6.568 -4.759 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.390 5.423 -3.756 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.779 4.129 -4.356 1.00 0.00 N ATOM 0 H LYS B 18 -9.105 5.288 -7.508 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.478 5.329 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.670 6.435 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.184 4.799 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.390 5.590 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.581 7.240 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.896 7.463 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.133 6.781 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.469 5.282 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.159 5.721 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.062 3.469 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.577 4.274 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.973 3.733 -4.880 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.334 7.625 -8.703 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.874 8.826 -9.387 1.00 0.00 C ATOM 1144 C CYS B 19 -8.393 8.499 -10.804 1.00 0.00 C ATOM 1145 O CYS B 19 -8.194 9.428 -11.582 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.787 9.540 -8.610 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.050 9.795 -6.836 1.00 0.00 S ATOM 0 H CYS B 19 -8.638 7.187 -8.100 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.727 9.501 -9.455 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.861 8.978 -8.735 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.632 10.516 -9.070 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.182 7.206 -11.115 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.649 6.697 -12.380 1.00 0.00 C ATOM 1154 C ASP B 20 -6.394 7.464 -12.826 1.00 0.00 C ATOM 1155 O ASP B 20 -6.170 7.729 -14.005 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.775 6.632 -13.420 1.00 0.00 C ATOM 1157 CG ASP B 20 -8.368 5.862 -14.682 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.639 4.853 -14.535 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -8.846 6.251 -15.772 1.00 0.00 O ATOM 0 H ASP B 20 -8.391 6.457 -10.455 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.292 5.676 -12.248 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.649 6.157 -12.975 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -9.069 7.645 -13.696 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.565 7.845 -11.846 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.323 8.570 -12.064 1.00 0.00 C ATOM 1166 C GLY B 21 -3.169 7.710 -11.601 1.00 0.00 C ATOM 1167 O GLY B 21 -3.327 6.907 -10.686 1.00 0.00 O ATOM 0 H GLY B 21 -5.750 7.650 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.210 8.816 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.335 9.512 -11.516 1.00 0.00 H new ATOM 1171 N ARG B 22 -2.006 7.877 -12.221 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.849 7.029 -12.007 1.00 0.00 C ATOM 1173 C ARG B 22 -0.351 7.224 -10.578 1.00 0.00 C ATOM 1174 O ARG B 22 -0.146 8.362 -10.157 1.00 0.00 O ATOM 1175 CB ARG B 22 0.196 7.375 -13.081 1.00 0.00 C ATOM 1176 CG ARG B 22 1.466 6.525 -12.973 1.00 0.00 C ATOM 1177 CD ARG B 22 2.526 7.156 -12.057 1.00 0.00 C ATOM 1178 NE ARG B 22 3.655 7.704 -12.831 1.00 0.00 N ATOM 1179 CZ ARG B 22 4.909 7.901 -12.396 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.237 7.658 -11.128 1.00 0.00 N ATOM 1181 NH2 ARG B 22 5.843 8.338 -13.240 1.00 0.00 N ATOM 0 H ARG B 22 -1.842 8.621 -12.899 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.084 5.970 -12.109 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.245 7.236 -14.068 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.462 8.429 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.206 5.537 -12.594 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.889 6.383 -13.968 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.070 7.950 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.894 6.407 -11.356 1.00 0.00 H new ATOM 0 HE ARG B 22 3.462 7.960 -13.799 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.531 7.318 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.194 7.812 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.604 8.522 -14.214 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.797 8.489 -12.912 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.095 6.125 -9.863 1.00 0.00 N ATOM 1196 CA ILE B 23 0.569 6.149 -8.571 1.00 0.00 C ATOM 1197 C ILE B 23 1.759 5.199 -8.661 1.00 0.00 C ATOM 1198 O ILE B 23 1.611 4.035 -9.024 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.356 5.745 -7.397 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.703 6.498 -7.342 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.439 6.026 -6.103 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.647 5.924 -6.271 1.00 0.00 C ATOM 0 H ILE B 23 -0.348 5.187 -10.174 1.00 0.00 H new ATOM 0 HA ILE B 23 0.880 7.171 -8.355 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.626 4.697 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.520 7.552 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.187 6.444 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.168 5.758 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.354 5.433 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.693 7.085 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.581 6.486 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.854 4.877 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.176 6.002 -5.291 1.00 0.00 H new ATOM 1214 N GLU B 24 2.942 5.681 -8.285 1.00 0.00 N ATOM 1215 CA GLU B 24 4.061 4.815 -7.960 1.00 0.00 C ATOM 1216 C GLU B 24 3.837 4.260 -6.545 1.00 0.00 C ATOM 1217 O GLU B 24 4.101 4.957 -5.561 1.00 0.00 O ATOM 1218 CB GLU B 24 5.348 5.630 -8.090 1.00 0.00 C ATOM 1219 CG GLU B 24 6.566 4.733 -7.923 1.00 0.00 C ATOM 1220 CD GLU B 24 7.850 5.552 -7.922 1.00 0.00 C ATOM 1221 OE1 GLU B 24 8.266 6.000 -6.831 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.521 5.642 -8.976 1.00 0.00 O ATOM 0 H GLU B 24 3.146 6.677 -8.199 1.00 0.00 H new ATOM 0 HA GLU B 24 4.144 3.965 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.379 6.118 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.364 6.418 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.486 4.174 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.597 4.002 -8.731 1.00 0.00 H new ATOM 1229 N LEU B 25 3.294 3.040 -6.427 1.00 0.00 N ATOM 1230 CA LEU B 25 3.006 2.433 -5.132 1.00 0.00 C ATOM 1231 C LEU B 25 4.322 2.015 -4.491 1.00 0.00 C ATOM 1232 O LEU B 25 4.814 0.908 -4.726 1.00 0.00 O ATOM 1233 CB LEU B 25 2.061 1.219 -5.205 1.00 0.00 C ATOM 1234 CG LEU B 25 0.757 1.413 -5.988 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.047 0.112 -5.927 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.063 2.550 -5.389 1.00 0.00 C ATOM 0 H LEU B 25 3.046 2.454 -7.224 1.00 0.00 H new ATOM 0 HA LEU B 25 2.486 3.183 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.607 0.388 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.807 0.923 -4.187 1.00 0.00 H new ATOM 0 HG LEU B 25 0.990 1.666 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.978 0.234 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.535 -0.696 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.271 -0.129 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.985 2.673 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.305 2.317 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.513 3.474 -5.428 1.00 0.00 H new ATOM 1248 N THR B 26 4.910 2.914 -3.705 1.00 0.00 N ATOM 1249 CA THR B 26 6.083 2.581 -2.924 1.00 0.00 C ATOM 1250 C THR B 26 5.620 1.825 -1.675 1.00 0.00 C ATOM 1251 O THR B 26 5.173 2.422 -0.697 1.00 0.00 O ATOM 1252 CB THR B 26 6.948 3.812 -2.650 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.178 4.491 -3.870 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.319 3.382 -2.112 1.00 0.00 C ATOM 0 H THR B 26 4.588 3.876 -3.597 1.00 0.00 H new ATOM 0 HA THR B 26 6.750 1.921 -3.479 1.00 0.00 H new ATOM 0 HB THR B 26 6.435 4.446 -1.927 1.00 0.00 H new ATOM 0 HG1 THR B 26 6.821 5.402 -3.810 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.928 4.265 -1.920 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.187 2.823 -1.185 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.817 2.751 -2.848 1.00 0.00 H new ATOM 1262 N VAL B 27 5.680 0.495 -1.731 1.00 0.00 N ATOM 1263 CA VAL B 27 5.603 -0.361 -0.547 1.00 0.00 C ATOM 1264 C VAL B 27 7.070 -0.609 -0.147 1.00 0.00 C ATOM 1265 O VAL B 27 8.001 -0.167 -0.835 1.00 0.00 O ATOM 1266 CB VAL B 27 4.754 -1.646 -0.837 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.574 -1.344 -1.784 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.618 -2.726 -1.514 1.00 0.00 C ATOM 0 H VAL B 27 5.784 -0.022 -2.604 1.00 0.00 H new ATOM 0 HA VAL B 27 5.074 0.091 0.292 1.00 0.00 H new ATOM 0 HB VAL B 27 4.379 -1.994 0.125 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.008 -2.258 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL B 27 2.924 -0.597 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.956 -0.963 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL B 27 5.010 -3.610 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL B 27 6.009 -2.342 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.447 -2.992 -0.859 1.00 0.00 H new ATOM 1278 N GLU B 28 7.315 -1.313 0.954 1.00 0.00 N ATOM 1279 CA GLU B 28 8.676 -1.563 1.386 1.00 0.00 C ATOM 1280 C GLU B 28 8.745 -3.040 1.789 1.00 0.00 C ATOM 1281 O GLU B 28 8.438 -3.382 2.923 1.00 0.00 O ATOM 1282 CB GLU B 28 9.011 -0.509 2.457 1.00 0.00 C ATOM 1283 CG GLU B 28 10.493 -0.134 2.570 1.00 0.00 C ATOM 1284 CD GLU B 28 10.884 0.260 3.997 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.588 -0.534 4.923 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.453 1.360 4.160 1.00 0.00 O ATOM 0 H GLU B 28 6.594 -1.714 1.554 1.00 0.00 H new ATOM 0 HA GLU B 28 9.451 -1.441 0.629 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.440 0.395 2.244 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.673 -0.879 3.425 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.105 -0.977 2.247 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.709 0.694 1.895 1.00 0.00 H new ATOM 1293 N SER B 29 9.038 -3.949 0.845 1.00 0.00 N ATOM 1294 CA SER B 29 9.117 -5.376 1.158 1.00 0.00 C ATOM 1295 C SER B 29 9.932 -6.129 0.120 1.00 0.00 C ATOM 1296 O SER B 29 10.006 -5.716 -1.037 1.00 0.00 O ATOM 1297 CB SER B 29 7.726 -6.007 1.211 1.00 0.00 C ATOM 1298 OG SER B 29 7.821 -7.232 1.905 1.00 0.00 O ATOM 0 H SER B 29 9.222 -3.719 -0.132 1.00 0.00 H new ATOM 0 HA SER B 29 9.600 -5.452 2.132 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.025 -5.340 1.713 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.345 -6.170 0.203 1.00 0.00 H new ATOM 0 HG SER B 29 6.931 -7.634 1.983 1.00 0.00 H new ATOM 1304 N SER B 30 10.489 -7.267 0.536 1.00 0.00 N ATOM 1305 CA SER B 30 11.266 -8.171 -0.296 1.00 0.00 C ATOM 1306 C SER B 30 10.471 -8.550 -1.546 1.00 0.00 C ATOM 1307 O SER B 30 9.251 -8.711 -1.489 1.00 0.00 O ATOM 1308 CB SER B 30 11.619 -9.414 0.523 1.00 0.00 C ATOM 1309 OG SER B 30 12.242 -9.032 1.740 1.00 0.00 O ATOM 0 H SER B 30 10.405 -7.592 1.499 1.00 0.00 H new ATOM 0 HA SER B 30 12.185 -7.682 -0.620 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.718 -9.990 0.731 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.285 -10.060 -0.049 1.00 0.00 H new ATOM 0 HG SER B 30 12.464 -9.833 2.260 1.00 0.00 H new ATOM 1315 N ALA B 31 11.167 -8.712 -2.676 1.00 0.00 N ATOM 1316 CA ALA B 31 10.543 -8.728 -3.996 1.00 0.00 C ATOM 1317 C ALA B 31 9.407 -9.742 -4.141 1.00 0.00 C ATOM 1318 O ALA B 31 8.445 -9.457 -4.853 1.00 0.00 O ATOM 1319 CB ALA B 31 11.612 -8.984 -5.062 1.00 0.00 C ATOM 0 H ALA B 31 12.179 -8.836 -2.697 1.00 0.00 H new ATOM 0 HA ALA B 31 10.085 -7.748 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.147 -8.996 -6.048 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.361 -8.193 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.090 -9.945 -4.874 1.00 0.00 H new ATOM 1325 N GLU B 32 9.483 -10.897 -3.467 1.00 0.00 N ATOM 1326 CA GLU B 32 8.514 -11.962 -3.660 1.00 0.00 C ATOM 1327 C GLU B 32 7.421 -12.010 -2.589 1.00 0.00 C ATOM 1328 O GLU B 32 6.315 -12.503 -2.831 1.00 0.00 O ATOM 1329 CB GLU B 32 9.222 -13.297 -3.903 1.00 0.00 C ATOM 1330 CG GLU B 32 8.531 -13.967 -5.100 1.00 0.00 C ATOM 1331 CD GLU B 32 9.226 -15.193 -5.684 1.00 0.00 C ATOM 1332 OE1 GLU B 32 10.026 -15.839 -4.974 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.922 -15.456 -6.873 1.00 0.00 O ATOM 0 H GLU B 32 10.210 -11.109 -2.784 1.00 0.00 H new ATOM 0 HA GLU B 32 7.954 -11.732 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.281 -13.139 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU B 32 9.161 -13.931 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.525 -14.257 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.423 -13.225 -5.892 1.00 0.00 H new ATOM 1340 N ASP B 33 7.679 -11.385 -1.443 1.00 0.00 N ATOM 1341 CA ASP B 33 6.638 -10.961 -0.534 1.00 0.00 C ATOM 1342 C ASP B 33 5.794 -9.893 -1.249 1.00 0.00 C ATOM 1343 O ASP B 33 4.567 -9.987 -1.285 1.00 0.00 O ATOM 1344 CB ASP B 33 7.301 -10.471 0.754 1.00 0.00 C ATOM 1345 CG ASP B 33 6.303 -9.883 1.738 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.961 -8.692 1.544 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.012 -10.571 2.744 1.00 0.00 O ATOM 0 H ASP B 33 8.622 -11.161 -1.125 1.00 0.00 H new ATOM 0 HA ASP B 33 5.962 -11.768 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.826 -11.301 1.227 1.00 0.00 H new ATOM 0 HB3 ASP B 33 8.050 -9.718 0.509 1.00 0.00 H new ATOM 1352 N LEU B 34 6.451 -8.958 -1.953 1.00 0.00 N ATOM 1353 CA LEU B 34 5.788 -7.958 -2.780 1.00 0.00 C ATOM 1354 C LEU B 34 4.990 -8.605 -3.912 1.00 0.00 C ATOM 1355 O LEU B 34 3.868 -8.212 -4.191 1.00 0.00 O ATOM 1356 CB LEU B 34 6.822 -6.940 -3.288 1.00 0.00 C ATOM 1357 CG LEU B 34 6.356 -6.055 -4.469 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.133 -4.741 -4.396 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.635 -6.646 -5.863 1.00 0.00 C ATOM 0 H LEU B 34 7.468 -8.881 -1.959 1.00 0.00 H new ATOM 0 HA LEU B 34 5.059 -7.420 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.106 -6.291 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.719 -7.479 -3.592 1.00 0.00 H new ATOM 0 HG LEU B 34 5.276 -5.950 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.828 -4.092 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.925 -4.248 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.201 -4.945 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.275 -5.958 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.707 -6.797 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.120 -7.602 -5.963 1.00 0.00 H new ATOM 1371 N ARG B 35 5.576 -9.595 -4.570 1.00 0.00 N ATOM 1372 CA ARG B 35 4.970 -10.423 -5.619 1.00 0.00 C ATOM 1373 C ARG B 35 3.720 -11.078 -5.070 1.00 0.00 C ATOM 1374 O ARG B 35 2.695 -11.059 -5.737 1.00 0.00 O ATOM 1375 CB ARG B 35 5.933 -11.504 -6.135 1.00 0.00 C ATOM 1376 CG ARG B 35 5.462 -12.219 -7.414 1.00 0.00 C ATOM 1377 CD ARG B 35 6.457 -13.310 -7.848 1.00 0.00 C ATOM 1378 NE ARG B 35 6.053 -13.936 -9.117 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.665 -14.959 -9.736 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.721 -15.586 -9.216 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.202 -15.368 -10.919 1.00 0.00 N ATOM 0 H ARG B 35 6.542 -9.862 -4.380 1.00 0.00 H new ATOM 0 HA ARG B 35 4.727 -9.774 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.904 -11.047 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.079 -12.247 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.482 -12.665 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.345 -11.491 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.451 -12.875 -7.956 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.525 -14.072 -7.071 1.00 0.00 H new ATOM 0 HE ARG B 35 5.224 -13.554 -9.573 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.095 -15.293 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.155 -16.359 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.396 -14.905 -11.339 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.654 -16.143 -11.403 1.00 0.00 H new ATOM 1395 N THR B 36 3.793 -11.640 -3.868 1.00 0.00 N ATOM 1396 CA THR B 36 2.634 -12.206 -3.184 1.00 0.00 C ATOM 1397 C THR B 36 1.555 -11.119 -3.006 1.00 0.00 C ATOM 1398 O THR B 36 0.402 -11.323 -3.391 1.00 0.00 O ATOM 1399 CB THR B 36 3.073 -12.889 -1.876 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.155 -13.774 -2.121 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.929 -13.728 -1.298 1.00 0.00 C ATOM 0 H THR B 36 4.661 -11.716 -3.338 1.00 0.00 H new ATOM 0 HA THR B 36 2.175 -12.991 -3.785 1.00 0.00 H new ATOM 0 HB THR B 36 3.364 -12.103 -1.179 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.999 -13.277 -2.087 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.257 -14.203 -0.374 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.074 -13.084 -1.091 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.640 -14.494 -2.017 1.00 0.00 H new ATOM 1409 N LEU B 37 1.939 -9.925 -2.536 1.00 0.00 N ATOM 1410 CA LEU B 37 1.082 -8.735 -2.507 1.00 0.00 C ATOM 1411 C LEU B 37 0.523 -8.404 -3.911 1.00 0.00 C ATOM 1412 O LEU B 37 -0.648 -8.055 -4.049 1.00 0.00 O ATOM 1413 CB LEU B 37 1.846 -7.581 -1.800 1.00 0.00 C ATOM 1414 CG LEU B 37 1.902 -6.216 -2.517 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.603 -5.395 -2.302 1.00 0.00 C ATOM 1416 CD2 LEU B 37 3.048 -5.364 -1.979 1.00 0.00 C ATOM 0 H LEU B 37 2.872 -9.757 -2.158 1.00 0.00 H new ATOM 0 HA LEU B 37 0.186 -8.917 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.392 -7.428 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.870 -7.912 -1.628 1.00 0.00 H new ATOM 0 HG LEU B 37 2.038 -6.440 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.685 -4.441 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.248 -5.951 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.459 -5.215 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.066 -4.407 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.905 -5.193 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.993 -5.882 -2.140 1.00 0.00 H new ATOM 1428 N GLN B 38 1.308 -8.562 -4.978 1.00 0.00 N ATOM 1429 CA GLN B 38 0.874 -8.323 -6.343 1.00 0.00 C ATOM 1430 C GLN B 38 -0.128 -9.399 -6.794 1.00 0.00 C ATOM 1431 O GLN B 38 -1.014 -9.112 -7.597 1.00 0.00 O ATOM 1432 CB GLN B 38 2.115 -8.248 -7.235 1.00 0.00 C ATOM 1433 CG GLN B 38 1.841 -7.968 -8.712 1.00 0.00 C ATOM 1434 CD GLN B 38 3.180 -7.963 -9.436 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.571 -8.948 -10.051 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.946 -6.889 -9.291 1.00 0.00 N ATOM 0 H GLN B 38 2.279 -8.865 -4.910 1.00 0.00 H new ATOM 0 HA GLN B 38 0.341 -7.375 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.772 -7.468 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.657 -9.190 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.182 -8.729 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.337 -7.009 -8.833 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.599 -6.081 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.882 -6.872 -9.696 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.052 -10.622 -6.253 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.073 -11.629 -6.492 1.00 0.00 C ATOM 1447 C GLN B 39 -2.364 -11.234 -5.766 1.00 0.00 C ATOM 1448 O GLN B 39 -3.452 -11.441 -6.298 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.626 -13.044 -6.104 1.00 0.00 C ATOM 1450 CG GLN B 39 0.754 -13.473 -6.625 1.00 0.00 C ATOM 1451 CD GLN B 39 1.096 -13.032 -8.052 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.623 -13.603 -9.025 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.954 -12.027 -8.194 1.00 0.00 N ATOM 0 H GLN B 39 0.709 -10.930 -5.648 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.256 -11.663 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.623 -13.119 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.369 -13.753 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.514 -13.078 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.818 -14.560 -6.576 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.337 -11.564 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.229 -11.719 -9.127 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.261 -10.598 -4.589 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.420 -9.983 -3.946 1.00 0.00 C ATOM 1464 C LEU B 40 -3.969 -8.810 -4.782 1.00 0.00 C ATOM 1465 O LEU B 40 -5.181 -8.602 -4.788 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.121 -9.575 -2.493 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.716 -10.756 -1.586 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.195 -10.222 -0.251 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.881 -11.717 -1.314 1.00 0.00 C ATOM 0 H LEU B 40 -1.389 -10.499 -4.069 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.206 -10.737 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.320 -8.836 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.003 -9.091 -2.072 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.940 -11.312 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.909 -11.057 0.388 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.327 -9.587 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.977 -9.641 0.238 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.541 -12.529 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.690 -11.178 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.242 -12.128 -2.257 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.129 -8.092 -5.548 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.609 -7.110 -6.535 1.00 0.00 C ATOM 1483 C PHE B 41 -4.404 -7.802 -7.639 1.00 0.00 C ATOM 1484 O PHE B 41 -5.486 -7.346 -7.998 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.477 -6.240 -7.124 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.270 -4.903 -6.435 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -1.780 -4.858 -5.119 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.616 -3.703 -7.089 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -1.683 -3.630 -4.442 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -2.525 -2.476 -6.408 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.074 -2.443 -5.078 1.00 0.00 C ATOM 0 H PHE B 41 -2.113 -8.174 -5.502 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.270 -6.426 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.545 -6.803 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.689 -6.060 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -1.477 -5.770 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -2.952 -3.726 -8.115 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -1.307 -3.601 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -2.802 -1.559 -6.907 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.028 -1.504 -4.546 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.883 -8.916 -8.160 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.574 -9.732 -9.154 1.00 0.00 C ATOM 1503 C LEU B 42 -5.878 -10.346 -8.613 1.00 0.00 C ATOM 1504 O LEU B 42 -6.779 -10.620 -9.402 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.615 -10.820 -9.664 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.521 -10.299 -10.618 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.470 -11.392 -10.846 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.091 -9.871 -11.979 1.00 0.00 C ATOM 0 H LEU B 42 -2.965 -9.277 -7.901 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.869 -9.086 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.138 -11.299 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.194 -11.588 -10.177 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.073 -9.424 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -0.699 -11.020 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.017 -11.666 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.946 -12.268 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.282 -9.512 -12.615 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.576 -10.723 -12.455 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.820 -9.074 -11.834 1.00 0.00 H new ATOM 1520 N SER B 43 -5.986 -10.546 -7.294 1.00 0.00 N ATOM 1521 CA SER B 43 -7.206 -10.889 -6.572 1.00 0.00 C ATOM 1522 C SER B 43 -8.168 -9.689 -6.568 1.00 0.00 C ATOM 1523 O SER B 43 -9.089 -9.655 -7.385 1.00 0.00 O ATOM 1524 CB SER B 43 -6.801 -11.396 -5.176 1.00 0.00 C ATOM 1525 OG SER B 43 -7.818 -11.400 -4.200 1.00 0.00 O ATOM 0 H SER B 43 -5.180 -10.468 -6.674 1.00 0.00 H new ATOM 0 HA SER B 43 -7.761 -11.692 -7.057 1.00 0.00 H new ATOM 0 HB2 SER B 43 -6.418 -12.412 -5.277 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.978 -10.780 -4.812 1.00 0.00 H new ATOM 0 HG SER B 43 -7.662 -10.673 -3.562 1.00 0.00 H new ATOM 1531 N THR B 44 -7.971 -8.713 -5.670 1.00 0.00 N ATOM 1532 CA THR B 44 -8.799 -7.513 -5.550 1.00 0.00 C ATOM 1533 C THR B 44 -8.048 -6.239 -5.159 1.00 0.00 C ATOM 1534 O THR B 44 -8.535 -5.133 -5.417 1.00 0.00 O ATOM 1535 CB THR B 44 -9.982 -7.721 -4.574 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.626 -8.213 -3.293 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.996 -8.712 -5.127 1.00 0.00 C ATOM 0 H THR B 44 -7.210 -8.741 -4.991 1.00 0.00 H new ATOM 0 HA THR B 44 -9.168 -7.359 -6.564 1.00 0.00 H new ATOM 0 HB THR B 44 -10.389 -6.715 -4.469 1.00 0.00 H new ATOM 0 HG1 THR B 44 -9.482 -7.460 -2.682 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.812 -8.833 -4.415 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.391 -8.339 -6.072 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.512 -9.675 -5.291 1.00 0.00 H new ATOM 1545 N LEU B 45 -6.893 -6.397 -4.514 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.170 -5.332 -3.836 1.00 0.00 C ATOM 1547 C LEU B 45 -5.908 -4.178 -4.789 1.00 0.00 C ATOM 1548 O LEU B 45 -5.194 -4.316 -5.773 1.00 0.00 O ATOM 1549 CB LEU B 45 -4.896 -5.890 -3.185 1.00 0.00 C ATOM 1550 CG LEU B 45 -4.129 -4.939 -2.260 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -4.965 -4.412 -1.097 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -2.936 -5.706 -1.679 1.00 0.00 C ATOM 0 H LEU B 45 -6.423 -7.300 -4.449 1.00 0.00 H new ATOM 0 HA LEU B 45 -6.780 -4.927 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.166 -6.778 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.221 -6.213 -3.978 1.00 0.00 H new ATOM 0 HG LEU B 45 -3.829 -4.078 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.357 -3.746 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.825 -3.865 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.311 -5.248 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -2.371 -5.052 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.296 -6.568 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -2.291 -6.044 -2.490 1.00 0.00 H new ATOM 1564 N SER B 46 -6.532 -3.041 -4.509 1.00 0.00 N ATOM 1565 CA SER B 46 -6.448 -1.839 -5.296 1.00 0.00 C ATOM 1566 C SER B 46 -6.014 -0.737 -4.334 1.00 0.00 C ATOM 1567 O SER B 46 -6.179 -0.850 -3.117 1.00 0.00 O ATOM 1568 CB SER B 46 -7.817 -1.596 -5.940 1.00 0.00 C ATOM 1569 OG SER B 46 -8.254 -2.731 -6.671 1.00 0.00 O ATOM 0 H SER B 46 -7.133 -2.937 -3.691 1.00 0.00 H new ATOM 0 HA SER B 46 -5.728 -1.888 -6.113 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.547 -1.356 -5.167 1.00 0.00 H new ATOM 0 HB3 SER B 46 -7.761 -0.733 -6.604 1.00 0.00 H new ATOM 0 HG SER B 46 -8.422 -3.473 -6.053 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.442 0.340 -4.861 1.00 0.00 N ATOM 1576 CA PHE B 47 -4.847 1.391 -4.065 1.00 0.00 C ATOM 1577 C PHE B 47 -5.618 2.674 -4.295 1.00 0.00 C ATOM 1578 O PHE B 47 -6.067 2.971 -5.405 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.366 1.580 -4.406 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.590 2.190 -3.254 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.490 3.588 -3.116 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -1.970 1.350 -2.308 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.778 4.141 -2.037 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.255 1.905 -1.232 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.160 3.301 -1.095 1.00 0.00 C ATOM 0 H PHE B 47 -5.381 0.504 -5.866 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.900 1.113 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -2.929 0.617 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.275 2.220 -5.283 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.961 4.236 -3.840 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.044 0.277 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.706 5.213 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.778 1.258 -0.510 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.613 3.727 -0.267 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.708 3.447 -3.224 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.307 4.750 -3.175 1.00 0.00 C ATOM 1597 C VAL B 48 -5.346 5.698 -2.470 1.00 0.00 C ATOM 1598 O VAL B 48 -4.943 5.480 -1.330 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.731 4.682 -2.592 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.705 4.354 -3.722 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -7.965 3.705 -1.464 1.00 0.00 C ATOM 0 H VAL B 48 -5.340 3.155 -2.319 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.460 5.158 -4.174 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.890 5.664 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.719 4.302 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.653 5.131 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.439 3.394 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.007 3.758 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -7.740 2.695 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.317 3.957 -0.624 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.917 6.719 -3.215 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.956 7.712 -2.733 1.00 0.00 C ATOM 1613 C CYS B 49 -4.553 8.496 -1.550 1.00 0.00 C ATOM 1614 O CYS B 49 -5.782 8.586 -1.448 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.560 8.636 -3.900 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.885 9.150 -5.038 1.00 0.00 S ATOM 0 H CYS B 49 -5.228 6.880 -4.173 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.055 7.219 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.107 9.534 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.789 8.132 -4.484 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.733 9.138 -0.685 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.268 9.907 0.445 1.00 0.00 C ATOM 1623 C PRO B 50 -5.352 10.948 0.087 1.00 0.00 C ATOM 1624 O PRO B 50 -6.222 11.226 0.918 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.059 10.532 1.154 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.885 10.316 0.198 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.271 9.043 -0.551 1.00 0.00 C ATOM 0 HA PRO B 50 -4.816 9.230 1.101 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -3.220 11.592 1.348 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.877 10.056 2.117 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.759 11.159 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.945 10.197 0.736 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.784 8.989 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.978 8.150 0.002 1.00 0.00 H new ATOM 1635 N TRP B 51 -5.348 11.487 -1.143 1.00 0.00 N ATOM 1636 CA TRP B 51 -6.360 12.413 -1.634 1.00 0.00 C ATOM 1637 C TRP B 51 -7.744 11.754 -1.645 1.00 0.00 C ATOM 1638 O TRP B 51 -8.610 12.175 -0.874 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.969 12.960 -3.017 1.00 0.00 C ATOM 1640 CG TRP B 51 -6.997 13.834 -3.675 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -7.933 14.569 -3.032 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -7.245 14.048 -5.100 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -8.768 15.173 -3.944 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -8.380 14.904 -5.240 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -6.632 13.597 -6.290 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -8.883 15.286 -6.493 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -7.122 13.982 -7.552 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -8.244 14.824 -7.656 1.00 0.00 C ATOM 0 H TRP B 51 -4.623 11.282 -1.831 1.00 0.00 H new ATOM 0 HA TRP B 51 -6.415 13.262 -0.953 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -5.044 13.528 -2.917 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.757 12.118 -3.676 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -8.013 14.667 -1.959 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -9.573 15.747 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -5.773 12.946 -6.230 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -9.750 15.927 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -6.633 13.628 -8.447 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -8.614 15.115 -8.628 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.961 10.725 -2.481 1.00 0.00 N ATOM 1660 CA CYS B 52 -9.237 10.011 -2.496 1.00 0.00 C ATOM 1661 C CYS B 52 -9.533 9.395 -1.143 1.00 0.00 C ATOM 1662 O CYS B 52 -10.696 9.345 -0.753 1.00 0.00 O ATOM 1663 CB CYS B 52 -9.293 8.871 -3.514 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.769 7.978 -3.813 1.00 0.00 S ATOM 0 H CYS B 52 -7.273 10.376 -3.148 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.970 10.770 -2.768 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -10.046 8.156 -3.182 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -9.639 9.280 -4.463 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.504 8.929 -0.430 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.714 8.335 0.871 1.00 0.00 C ATOM 1671 C ALA B 53 -9.395 9.315 1.830 1.00 0.00 C ATOM 1672 O ALA B 53 -10.254 8.897 2.613 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.380 7.897 1.457 1.00 0.00 C ATOM 0 H ALA B 53 -7.532 8.956 -0.737 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.367 7.472 0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.543 7.450 2.438 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.915 7.165 0.797 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.725 8.762 1.557 1.00 0.00 H new ATOM 1679 N THR B 54 -9.001 10.590 1.754 1.00 0.00 N ATOM 1680 CA THR B 54 -9.522 11.674 2.572 1.00 0.00 C ATOM 1681 C THR B 54 -10.859 12.193 2.017 1.00 0.00 C ATOM 1682 O THR B 54 -11.808 12.353 2.778 1.00 0.00 O ATOM 1683 CB THR B 54 -8.462 12.793 2.642 1.00 0.00 C ATOM 1684 OG1 THR B 54 -7.209 12.266 3.029 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.837 13.884 3.649 1.00 0.00 C ATOM 0 H THR B 54 -8.285 10.900 1.096 1.00 0.00 H new ATOM 0 HA THR B 54 -9.724 11.310 3.579 1.00 0.00 H new ATOM 0 HB THR B 54 -8.411 13.228 1.644 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.648 12.141 2.236 1.00 0.00 H new ATOM 0 HG21 THR B 54 -8.061 14.649 3.663 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.786 14.335 3.360 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.931 13.445 4.642 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.930 12.501 0.713 1.00 0.00 N ATOM 1694 CA ASN B 55 -12.093 13.155 0.089 1.00 0.00 C ATOM 1695 C ASN B 55 -13.268 12.195 -0.075 1.00 0.00 C ATOM 1696 O ASN B 55 -14.413 12.553 0.205 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.722 13.700 -1.308 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.901 14.985 -1.299 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.916 15.756 -2.252 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -10.134 15.229 -0.247 1.00 0.00 N ATOM 0 H ASN B 55 -10.176 12.302 0.055 1.00 0.00 H new ATOM 0 HA ASN B 55 -12.386 13.968 0.753 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -11.163 12.933 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.640 13.877 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -9.549 16.064 -0.225 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -10.128 14.582 0.541 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.952 10.991 -0.554 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.862 10.045 -1.189 1.00 0.00 C ATOM 1709 C GLN B 56 -14.774 10.766 -2.189 1.00 0.00 C ATOM 1710 O GLN B 56 -16.004 10.542 -2.144 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.584 9.224 -0.108 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.087 7.878 -0.645 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.701 7.050 0.478 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -14.980 6.485 1.300 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.020 6.980 0.559 1.00 0.00 N ATOM 0 H GLN B 56 -11.998 10.632 -0.505 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.316 9.320 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -13.906 9.050 0.727 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.427 9.797 0.279 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -15.827 8.046 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.262 7.330 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.599 7.456 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.457 6.450 1.313 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.488 7.534 5.060 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.729 7.844 -6.069 1.00 0.00 ZN