USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -0.0662 K(o=-0.066,f=-5!) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 88 HIS : +bothHN:sc= -5.06! C(o=-4.4!,f=-26!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.684 USER MOD Set 3.1: A 30 CYS SG : rot 180:sc= -1.24 USER MOD Set 3.2: A 81 LYS NZ :NH3+ 144:sc= -2.14 (180deg=-4.93!) USER MOD Set 4.1: A 60 SER OG : rot 148:sc= 0.162! USER MOD Set 4.2: A 72 HIS : no HD1:sc= -3.05! C(o=-2.9!,f=-25!) USER MOD Single : A 5 SER OG : rot 8:sc= 0.73 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 12 ASN : amide:sc= -2.03 X(o=-2,f=-1.9) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 150:sc= -3.27! (180deg=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.526 (180deg=0.0738) USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -0.0659 (180deg=-0.399) USER MOD Single : A 26 SER OG : rot 93:sc= 1.29 USER MOD Single : A 29 GLN : amide:sc= 1.01 K(o=1,f=-0.81) USER MOD Single : A 35 THR OG1 : rot -64:sc= 1.02 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.128 (180deg=-0.868) USER MOD Single : A 43 TYR OH : rot 124:sc= 1.19 USER MOD Single : A 61 THR OG1 : rot 14:sc= -1.5! USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 0.599 (180deg=-0.126) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= 0.369 (180deg=-3.17!) USER MOD Single : A 70 THR OG1 : rot 146:sc= 1.04 USER MOD Single : A 71 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-9.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 148:sc= -2.2 (180deg=-6.54!) USER MOD Single : A 77 HIS : no HD1:sc= -10.7! C(o=-11!,f=-20!) USER MOD Single : A 80 SER OG : rot 70:sc= -1.5! USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.722! (180deg=-2.67!) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0.701 (180deg=0.604) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -4.42! C(o=-4.4!,f=-7.5!) USER MOD Single : A 104 ASN : amide:sc= -3.66! C(o=-3.7!,f=-13!) USER MOD Single : A 105 MET CE :methyl 161:sc= -4.76! (180deg=-5.94!) USER MOD Single : A 113 LYS NZ :NH3+ -163:sc= -0.0241 (180deg=-0.406) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.466! USER MOD Single : A 119 LYS NZ :NH3+ -159:sc= -0.278 (180deg=-1.21) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.612 -1.908 16.079 1.00 0.00 N ATOM 43 CA SER A 5 0.985 -0.897 15.234 1.00 0.00 C ATOM 44 C SER A 5 1.899 -0.466 14.099 1.00 0.00 C ATOM 45 O SER A 5 1.608 0.502 13.411 1.00 0.00 O ATOM 46 CB SER A 5 0.532 0.333 16.045 1.00 0.00 C ATOM 47 OG SER A 5 0.445 0.006 17.438 1.00 0.00 O ATOM 0 HA SER A 5 0.099 -1.364 14.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.236 1.152 15.900 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.437 0.678 15.684 1.00 0.00 H new ATOM 0 HG SER A 5 0.815 -0.889 17.588 1.00 0.00 H new ATOM 53 N GLY A 6 2.987 -1.186 13.887 1.00 0.00 N ATOM 54 CA GLY A 6 3.904 -0.839 12.809 1.00 0.00 C ATOM 55 C GLY A 6 3.169 -0.889 11.483 1.00 0.00 C ATOM 56 O GLY A 6 3.089 0.109 10.768 1.00 0.00 O ATOM 0 H GLY A 6 3.257 -2.002 14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.313 0.158 12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.746 -1.531 12.797 1.00 0.00 H new ATOM 60 N ASP A 7 2.472 -1.992 11.261 1.00 0.00 N ATOM 61 CA ASP A 7 1.608 -2.145 10.097 1.00 0.00 C ATOM 62 C ASP A 7 0.512 -1.113 10.121 1.00 0.00 C ATOM 63 O ASP A 7 0.224 -0.469 9.118 1.00 0.00 O ATOM 64 CB ASP A 7 0.977 -3.548 10.093 1.00 0.00 C ATOM 65 CG ASP A 7 0.314 -3.877 11.438 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.468 -3.114 12.379 1.00 0.00 O ATOM 67 OD2 ASP A 7 -0.323 -4.895 11.515 1.00 0.00 O ATOM 0 H ASP A 7 2.488 -2.804 11.878 1.00 0.00 H new ATOM 0 HA ASP A 7 2.211 -2.011 9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.235 -3.611 9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.744 -4.291 9.874 1.00 0.00 H new ATOM 72 N THR A 8 -0.052 -0.915 11.283 1.00 0.00 N ATOM 73 CA THR A 8 -1.098 0.061 11.457 1.00 0.00 C ATOM 74 C THR A 8 -0.565 1.449 11.127 1.00 0.00 C ATOM 75 O THR A 8 -1.153 2.184 10.326 1.00 0.00 O ATOM 76 CB THR A 8 -1.597 0.000 12.898 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.849 -1.361 13.247 1.00 0.00 O ATOM 78 CG2 THR A 8 -2.884 0.816 13.048 1.00 0.00 C ATOM 0 H THR A 8 0.198 -1.422 12.132 1.00 0.00 H new ATOM 0 HA THR A 8 -1.928 -0.154 10.784 1.00 0.00 H new ATOM 0 HB THR A 8 -0.838 0.418 13.560 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.168 -1.408 14.172 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.229 0.764 14.081 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.689 1.855 12.782 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.651 0.410 12.388 1.00 0.00 H new ATOM 86 N GLN A 9 0.604 1.759 11.659 1.00 0.00 N ATOM 87 CA GLN A 9 1.252 3.015 11.371 1.00 0.00 C ATOM 88 C GLN A 9 1.600 3.084 9.907 1.00 0.00 C ATOM 89 O GLN A 9 1.339 4.090 9.246 1.00 0.00 O ATOM 90 CB GLN A 9 2.522 3.175 12.214 1.00 0.00 C ATOM 91 CG GLN A 9 2.163 3.642 13.628 1.00 0.00 C ATOM 92 CD GLN A 9 2.187 5.167 13.705 1.00 0.00 C ATOM 93 OE1 GLN A 9 1.573 5.874 12.805 1.00 0.00 O flip ATOM 94 NE2 GLN A 9 2.795 5.733 14.614 1.00 0.00 N flip ATOM 0 H GLN A 9 1.121 1.152 12.295 1.00 0.00 H new ATOM 0 HA GLN A 9 0.566 3.825 11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.058 2.227 12.261 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.191 3.896 11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.174 3.273 13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.868 3.224 14.346 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.279 5.183 15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.815 6.752 14.657 1.00 0.00 H new ATOM 103 N LEU A 10 2.170 2.004 9.386 1.00 0.00 N ATOM 104 CA LEU A 10 2.534 1.974 7.985 1.00 0.00 C ATOM 105 C LEU A 10 1.280 2.103 7.151 1.00 0.00 C ATOM 106 O LEU A 10 1.233 2.879 6.207 1.00 0.00 O ATOM 107 CB LEU A 10 3.250 0.661 7.619 1.00 0.00 C ATOM 108 CG LEU A 10 4.619 0.515 8.334 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.652 -0.068 7.372 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.125 1.849 8.892 1.00 0.00 C ATOM 0 H LEU A 10 2.385 1.154 9.906 1.00 0.00 H new ATOM 0 HA LEU A 10 3.216 2.801 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.613 -0.183 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.400 0.621 6.540 1.00 0.00 H new ATOM 0 HG LEU A 10 4.475 -0.161 9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.610 -0.167 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.319 -1.049 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.765 0.595 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.086 1.697 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.243 2.563 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.406 2.238 9.613 1.00 0.00 H new ATOM 122 N PHE A 11 0.241 1.392 7.555 1.00 0.00 N ATOM 123 CA PHE A 11 -1.041 1.460 6.884 1.00 0.00 C ATOM 124 C PHE A 11 -1.593 2.863 6.942 1.00 0.00 C ATOM 125 O PHE A 11 -1.985 3.422 5.925 1.00 0.00 O ATOM 126 CB PHE A 11 -2.025 0.498 7.546 1.00 0.00 C ATOM 127 CG PHE A 11 -3.411 0.696 6.975 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.752 0.139 5.739 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.356 1.435 7.694 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.036 0.323 5.225 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.637 1.618 7.178 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.978 1.061 5.945 1.00 0.00 C ATOM 0 H PHE A 11 0.264 0.756 8.352 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.901 1.178 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.702 -0.531 7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.040 0.665 8.623 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.023 -0.432 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.093 1.864 8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.302 -0.105 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.366 2.191 7.732 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.972 1.201 5.547 1.00 0.00 H new ATOM 142 N ASN A 12 -1.588 3.442 8.131 1.00 0.00 N ATOM 143 CA ASN A 12 -2.121 4.786 8.306 1.00 0.00 C ATOM 144 C ASN A 12 -1.322 5.748 7.477 1.00 0.00 C ATOM 145 O ASN A 12 -1.869 6.538 6.703 1.00 0.00 O ATOM 146 CB ASN A 12 -2.006 5.201 9.771 1.00 0.00 C ATOM 147 CG ASN A 12 -2.934 4.377 10.643 1.00 0.00 C ATOM 148 OD1 ASN A 12 -3.991 3.923 10.193 1.00 0.00 O ATOM 149 ND2 ASN A 12 -2.589 4.125 11.860 1.00 0.00 N ATOM 0 H ASN A 12 -1.226 3.010 8.981 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.167 4.797 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.977 5.076 10.109 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.249 6.259 9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.189 3.550 12.452 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.716 4.500 12.231 1.00 0.00 H new ATOM 156 N ARG A 13 -0.019 5.618 7.569 1.00 0.00 N ATOM 157 CA ARG A 13 0.864 6.426 6.777 1.00 0.00 C ATOM 158 C ARG A 13 0.679 6.114 5.299 1.00 0.00 C ATOM 159 O ARG A 13 0.405 6.995 4.506 1.00 0.00 O ATOM 160 CB ARG A 13 2.302 6.129 7.206 1.00 0.00 C ATOM 161 CG ARG A 13 2.562 6.743 8.594 1.00 0.00 C ATOM 162 CD ARG A 13 3.925 6.269 9.110 1.00 0.00 C ATOM 163 NE ARG A 13 4.298 6.950 10.349 1.00 0.00 N ATOM 164 CZ ARG A 13 5.283 7.860 10.394 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.892 8.222 9.298 1.00 0.00 N ATOM 166 NH2 ARG A 13 5.619 8.384 11.531 1.00 0.00 N ATOM 0 H ARG A 13 0.449 4.957 8.188 1.00 0.00 H new ATOM 0 HA ARG A 13 0.641 7.482 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.469 5.052 7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.002 6.540 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.542 7.831 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.775 6.448 9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.896 5.193 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.686 6.451 8.351 1.00 0.00 H new ATOM 0 HE ARG A 13 3.793 6.726 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.620 7.813 8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.640 8.914 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.135 8.104 12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.367 9.076 11.572 1.00 0.00 H new ATOM 180 N ALA A 14 0.698 4.844 4.957 1.00 0.00 N ATOM 181 CA ALA A 14 0.523 4.443 3.571 1.00 0.00 C ATOM 182 C ALA A 14 -0.816 4.898 3.033 1.00 0.00 C ATOM 183 O ALA A 14 -0.882 5.531 1.980 1.00 0.00 O ATOM 184 CB ALA A 14 0.662 2.927 3.427 1.00 0.00 C ATOM 0 H ALA A 14 0.832 4.073 5.612 1.00 0.00 H new ATOM 0 HA ALA A 14 1.306 4.925 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.528 2.647 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.653 2.619 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.095 2.433 4.035 1.00 0.00 H new ATOM 190 N VAL A 15 -1.875 4.572 3.748 1.00 0.00 N ATOM 191 CA VAL A 15 -3.201 4.922 3.312 1.00 0.00 C ATOM 192 C VAL A 15 -3.383 6.444 3.256 1.00 0.00 C ATOM 193 O VAL A 15 -3.923 6.977 2.280 1.00 0.00 O ATOM 194 CB VAL A 15 -4.270 4.233 4.192 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.659 5.112 5.385 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.507 3.921 3.350 1.00 0.00 C ATOM 0 H VAL A 15 -1.837 4.065 4.632 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.337 4.553 2.295 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.847 3.306 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.412 4.600 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.778 5.305 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.064 6.057 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.258 3.436 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.915 4.847 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.231 3.257 2.530 1.00 0.00 H new ATOM 206 N SER A 16 -2.859 7.152 4.260 1.00 0.00 N ATOM 207 CA SER A 16 -2.933 8.600 4.268 1.00 0.00 C ATOM 208 C SER A 16 -2.156 9.144 3.093 1.00 0.00 C ATOM 209 O SER A 16 -2.601 10.057 2.384 1.00 0.00 O ATOM 210 CB SER A 16 -2.358 9.151 5.585 1.00 0.00 C ATOM 211 OG SER A 16 -2.477 10.576 5.611 1.00 0.00 O ATOM 0 H SER A 16 -2.385 6.744 5.066 1.00 0.00 H new ATOM 0 HA SER A 16 -3.975 8.911 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.889 8.718 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.311 8.863 5.683 1.00 0.00 H new ATOM 0 HG SER A 16 -2.111 10.920 6.452 1.00 0.00 H new ATOM 217 N MET A 17 -0.977 8.591 2.902 1.00 0.00 N ATOM 218 CA MET A 17 -0.111 9.007 1.835 1.00 0.00 C ATOM 219 C MET A 17 -0.726 8.685 0.470 1.00 0.00 C ATOM 220 O MET A 17 -0.686 9.516 -0.440 1.00 0.00 O ATOM 221 CB MET A 17 1.262 8.336 2.012 1.00 0.00 C ATOM 222 CG MET A 17 1.879 8.832 3.338 1.00 0.00 C ATOM 223 SD MET A 17 3.309 7.814 3.841 1.00 0.00 S ATOM 224 CE MET A 17 4.117 7.608 2.234 1.00 0.00 C ATOM 0 H MET A 17 -0.599 7.843 3.483 1.00 0.00 H new ATOM 0 HA MET A 17 0.019 10.089 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.155 7.251 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.915 8.581 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.192 9.870 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.122 8.809 4.122 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.193 7.507 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.731 6.714 1.745 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.915 8.479 1.611 1.00 0.00 H new ATOM 234 N VAL A 18 -1.278 7.474 0.325 1.00 0.00 N ATOM 235 CA VAL A 18 -1.866 7.057 -0.955 1.00 0.00 C ATOM 236 C VAL A 18 -3.238 7.657 -1.270 1.00 0.00 C ATOM 237 O VAL A 18 -3.461 8.115 -2.387 1.00 0.00 O ATOM 238 CB VAL A 18 -1.881 5.538 -1.135 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.456 4.998 -1.084 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.726 4.881 -0.044 1.00 0.00 C ATOM 0 H VAL A 18 -1.330 6.775 1.066 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.185 7.483 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.320 5.304 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.472 3.916 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.133 5.450 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.009 5.242 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.727 3.800 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.306 5.118 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.748 5.255 -0.101 1.00 0.00 H new ATOM 250 N GLU A 19 -4.191 7.574 -0.331 1.00 0.00 N ATOM 251 CA GLU A 19 -5.561 7.979 -0.652 1.00 0.00 C ATOM 252 C GLU A 19 -5.578 9.413 -1.094 1.00 0.00 C ATOM 253 O GLU A 19 -6.467 9.840 -1.831 1.00 0.00 O ATOM 254 CB GLU A 19 -6.489 7.881 0.563 1.00 0.00 C ATOM 255 CG GLU A 19 -6.760 6.444 1.010 1.00 0.00 C ATOM 256 CD GLU A 19 -7.692 6.483 2.225 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.945 7.574 2.727 1.00 0.00 O ATOM 258 OE2 GLU A 19 -8.165 5.445 2.626 1.00 0.00 O ATOM 0 H GLU A 19 -4.045 7.242 0.623 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.909 7.307 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.048 8.434 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.437 8.364 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.216 5.875 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.826 5.943 1.265 1.00 0.00 H new ATOM 265 N LYS A 20 -4.752 10.195 -0.449 1.00 0.00 N ATOM 266 CA LYS A 20 -4.805 11.623 -0.595 1.00 0.00 C ATOM 267 C LYS A 20 -3.837 12.112 -1.662 1.00 0.00 C ATOM 268 O LYS A 20 -3.885 13.283 -2.041 1.00 0.00 O ATOM 269 CB LYS A 20 -4.534 12.281 0.764 1.00 0.00 C ATOM 270 CG LYS A 20 -5.519 11.688 1.801 1.00 0.00 C ATOM 271 CD LYS A 20 -6.972 12.051 1.424 1.00 0.00 C ATOM 272 CE LYS A 20 -7.825 10.770 1.322 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.869 10.056 2.625 1.00 0.00 N ATOM 0 H LYS A 20 -4.029 9.861 0.188 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.802 11.909 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.504 12.101 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.662 13.361 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.406 10.605 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.287 12.071 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.395 12.721 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.988 12.585 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.837 11.026 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.412 10.113 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.024 9.041 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.967 10.191 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.646 10.436 3.203 1.00 0.00 H new ATOM 287 N ASN A 21 -3.032 11.198 -2.211 1.00 0.00 N ATOM 288 CA ASN A 21 -2.090 11.540 -3.290 1.00 0.00 C ATOM 289 C ASN A 21 -2.830 11.886 -4.575 1.00 0.00 C ATOM 290 O ASN A 21 -3.688 11.133 -5.026 1.00 0.00 O ATOM 291 CB ASN A 21 -1.116 10.400 -3.553 1.00 0.00 C ATOM 292 CG ASN A 21 -0.118 10.822 -4.618 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.417 10.747 -5.811 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.042 11.271 -4.263 1.00 0.00 N ATOM 0 H ASN A 21 -3.011 10.218 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.527 12.413 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.593 10.135 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.658 9.512 -3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.714 11.565 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.285 11.331 -3.274 1.00 0.00 H new ATOM 301 N LYS A 22 -2.536 13.051 -5.118 1.00 0.00 N ATOM 302 CA LYS A 22 -3.253 13.596 -6.268 1.00 0.00 C ATOM 303 C LYS A 22 -3.336 12.630 -7.450 1.00 0.00 C ATOM 304 O LYS A 22 -4.423 12.435 -8.029 1.00 0.00 O ATOM 305 CB LYS A 22 -2.635 14.948 -6.690 1.00 0.00 C ATOM 306 CG LYS A 22 -1.380 14.755 -7.578 1.00 0.00 C ATOM 307 CD LYS A 22 -0.214 14.160 -6.761 1.00 0.00 C ATOM 308 CE LYS A 22 0.605 15.286 -6.113 1.00 0.00 C ATOM 309 NZ LYS A 22 1.373 16.021 -7.154 1.00 0.00 N ATOM 0 H LYS A 22 -1.789 13.655 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.283 13.756 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.377 15.533 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.367 15.518 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.618 14.096 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.080 15.713 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.602 13.493 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.426 13.561 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.058 15.972 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.287 14.870 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.208 16.465 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.679 15.357 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.770 16.755 -7.576 1.00 0.00 H new ATOM 323 N ASP A 23 -2.212 12.048 -7.838 1.00 0.00 N ATOM 324 CA ASP A 23 -2.228 11.127 -8.958 1.00 0.00 C ATOM 325 C ASP A 23 -3.030 9.902 -8.585 1.00 0.00 C ATOM 326 O ASP A 23 -3.890 9.448 -9.335 1.00 0.00 O ATOM 327 CB ASP A 23 -0.807 10.730 -9.382 1.00 0.00 C ATOM 328 CG ASP A 23 -0.823 10.105 -10.777 1.00 0.00 C ATOM 329 OD1 ASP A 23 -1.682 10.467 -11.564 1.00 0.00 O ATOM 330 OD2 ASP A 23 0.030 9.295 -11.054 1.00 0.00 O ATOM 0 H ASP A 23 -1.300 12.193 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.693 11.624 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.160 11.608 -9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.390 10.023 -8.664 1.00 0.00 H new ATOM 335 N ILE A 24 -2.822 9.434 -7.365 1.00 0.00 N ATOM 336 CA ILE A 24 -3.575 8.308 -6.862 1.00 0.00 C ATOM 337 C ILE A 24 -5.056 8.661 -6.770 1.00 0.00 C ATOM 338 O ILE A 24 -5.898 7.899 -7.215 1.00 0.00 O ATOM 339 CB ILE A 24 -3.038 7.835 -5.510 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.628 7.260 -5.698 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.947 6.735 -4.958 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.981 7.018 -4.334 1.00 0.00 C ATOM 0 H ILE A 24 -2.140 9.818 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.459 7.482 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.010 8.676 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.678 6.326 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.019 7.950 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.565 6.397 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.956 7.127 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.968 5.897 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.020 6.610 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.916 7.960 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.585 6.311 -3.765 1.00 0.00 H new ATOM 354 N ARG A 25 -5.369 9.860 -6.269 1.00 0.00 N ATOM 355 CA ARG A 25 -6.770 10.272 -6.193 1.00 0.00 C ATOM 356 C ARG A 25 -7.376 10.161 -7.556 1.00 0.00 C ATOM 357 O ARG A 25 -8.474 9.635 -7.724 1.00 0.00 O ATOM 358 CB ARG A 25 -6.900 11.740 -5.784 1.00 0.00 C ATOM 359 CG ARG A 25 -6.532 11.971 -4.318 1.00 0.00 C ATOM 360 CD ARG A 25 -6.797 13.449 -3.996 1.00 0.00 C ATOM 361 NE ARG A 25 -6.306 13.811 -2.672 1.00 0.00 N ATOM 362 CZ ARG A 25 -6.954 14.689 -1.901 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.096 15.187 -2.295 1.00 0.00 N ATOM 364 NH2 ARG A 25 -6.446 15.044 -0.753 1.00 0.00 N ATOM 0 H ARG A 25 -4.695 10.541 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.264 9.635 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.256 12.349 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.924 12.073 -5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.125 11.326 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.485 11.723 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.316 14.076 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.867 13.647 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.447 13.384 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.493 14.905 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.590 15.857 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.556 14.651 -0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.939 15.714 -0.163 1.00 0.00 H new ATOM 378 N SER A 26 -6.629 10.619 -8.522 1.00 0.00 N ATOM 379 CA SER A 26 -7.026 10.544 -9.895 1.00 0.00 C ATOM 380 C SER A 26 -7.187 9.080 -10.319 1.00 0.00 C ATOM 381 O SER A 26 -8.203 8.705 -10.909 1.00 0.00 O ATOM 382 CB SER A 26 -6.000 11.272 -10.735 1.00 0.00 C ATOM 383 OG SER A 26 -5.838 12.601 -10.210 1.00 0.00 O ATOM 0 H SER A 26 -5.720 11.058 -8.374 1.00 0.00 H new ATOM 0 HA SER A 26 -7.994 11.024 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.049 10.739 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.323 11.313 -11.775 1.00 0.00 H new ATOM 0 HG SER A 26 -5.104 12.609 -9.561 1.00 0.00 H new ATOM 389 N LEU A 27 -6.250 8.237 -9.899 1.00 0.00 N ATOM 390 CA LEU A 27 -6.368 6.794 -10.126 1.00 0.00 C ATOM 391 C LEU A 27 -7.593 6.276 -9.392 1.00 0.00 C ATOM 392 O LEU A 27 -8.353 5.458 -9.910 1.00 0.00 O ATOM 393 CB LEU A 27 -5.137 6.059 -9.597 1.00 0.00 C ATOM 394 CG LEU A 27 -3.894 6.422 -10.417 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.659 5.832 -9.742 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.018 5.855 -11.830 1.00 0.00 C ATOM 0 H LEU A 27 -5.405 8.521 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.455 6.617 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.976 6.316 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.304 4.983 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.804 7.507 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.771 6.087 -10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.565 6.239 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.757 4.748 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.131 6.117 -12.406 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.111 4.770 -11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.901 6.273 -12.313 1.00 0.00 H new ATOM 408 N LEU A 28 -7.772 6.771 -8.177 1.00 0.00 N ATOM 409 CA LEU A 28 -8.895 6.391 -7.340 1.00 0.00 C ATOM 410 C LEU A 28 -10.173 7.014 -7.882 1.00 0.00 C ATOM 411 O LEU A 28 -11.288 6.689 -7.428 1.00 0.00 O ATOM 412 CB LEU A 28 -8.671 6.844 -5.879 1.00 0.00 C ATOM 413 CG LEU A 28 -7.439 6.146 -5.268 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.200 6.673 -3.851 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.662 4.631 -5.205 1.00 0.00 C ATOM 0 H LEU A 28 -7.142 7.447 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.984 5.305 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.535 7.925 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.555 6.616 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.573 6.357 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.329 6.178 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.026 7.748 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.075 6.468 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.784 4.152 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.534 4.417 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.826 4.245 -6.211 1.00 0.00 H new ATOM 427 N GLN A 29 -10.009 7.971 -8.791 1.00 0.00 N ATOM 428 CA GLN A 29 -11.132 8.704 -9.346 1.00 0.00 C ATOM 429 C GLN A 29 -11.821 9.453 -8.223 1.00 0.00 C ATOM 430 O GLN A 29 -13.048 9.529 -8.173 1.00 0.00 O ATOM 431 CB GLN A 29 -12.120 7.733 -10.021 1.00 0.00 C ATOM 432 CG GLN A 29 -11.355 6.796 -10.970 1.00 0.00 C ATOM 433 CD GLN A 29 -11.125 7.478 -12.306 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.018 7.482 -13.158 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.999 8.053 -12.544 1.00 0.00 N ATOM 0 H GLN A 29 -9.101 8.255 -9.158 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.778 9.408 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.647 7.151 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.874 8.292 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.399 6.518 -10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.919 5.875 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.264 8.047 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.841 8.515 -13.440 1.00 0.00 H new ATOM 444 N CYS A 30 -11.013 9.923 -7.269 1.00 0.00 N ATOM 445 CA CYS A 30 -11.511 10.590 -6.061 1.00 0.00 C ATOM 446 C CYS A 30 -12.268 11.869 -6.395 1.00 0.00 C ATOM 447 O CYS A 30 -12.007 12.938 -5.818 1.00 0.00 O ATOM 448 CB CYS A 30 -10.352 10.896 -5.105 1.00 0.00 C ATOM 449 SG CYS A 30 -10.966 10.998 -3.403 1.00 0.00 S ATOM 0 H CYS A 30 -9.996 9.852 -7.311 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.208 9.909 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.592 10.118 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.876 11.835 -5.386 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.977 11.256 -2.600 1.00 0.00 H new ATOM 455 N ASP A 31 -13.257 11.747 -7.254 1.00 0.00 N ATOM 456 CA ASP A 31 -14.089 12.870 -7.615 1.00 0.00 C ATOM 457 C ASP A 31 -15.311 12.895 -6.739 1.00 0.00 C ATOM 458 O ASP A 31 -16.424 12.628 -7.189 1.00 0.00 O ATOM 459 CB ASP A 31 -14.507 12.777 -9.093 1.00 0.00 C ATOM 460 CG ASP A 31 -13.343 13.078 -10.019 1.00 0.00 C ATOM 461 OD1 ASP A 31 -12.307 13.511 -9.547 1.00 0.00 O ATOM 462 OD2 ASP A 31 -13.505 12.901 -11.206 1.00 0.00 O ATOM 0 H ASP A 31 -13.504 10.873 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.521 13.789 -7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.891 11.778 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.319 13.478 -9.288 1.00 0.00 H new ATOM 467 N ASP A 32 -15.124 13.251 -5.489 1.00 0.00 N ATOM 468 CA ASP A 32 -16.255 13.335 -4.594 1.00 0.00 C ATOM 469 C ASP A 32 -17.180 14.421 -5.092 1.00 0.00 C ATOM 470 O ASP A 32 -16.718 15.485 -5.515 1.00 0.00 O ATOM 471 CB ASP A 32 -15.783 13.613 -3.162 1.00 0.00 C ATOM 472 CG ASP A 32 -15.406 12.303 -2.487 1.00 0.00 C ATOM 473 OD1 ASP A 32 -16.272 11.477 -2.319 1.00 0.00 O ATOM 474 OD2 ASP A 32 -14.241 12.118 -2.177 1.00 0.00 O ATOM 0 H ASP A 32 -14.221 13.482 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.794 12.387 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.927 14.287 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.572 14.111 -2.598 1.00 0.00 H new ATOM 479 N GLY A 33 -18.459 14.109 -5.173 1.00 0.00 N ATOM 480 CA GLY A 33 -19.429 15.008 -5.788 1.00 0.00 C ATOM 481 C GLY A 33 -19.769 14.532 -7.209 1.00 0.00 C ATOM 482 O GLY A 33 -20.783 14.942 -7.784 1.00 0.00 O ATOM 0 H GLY A 33 -18.856 13.238 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.335 15.046 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.026 16.020 -5.823 1.00 0.00 H new ATOM 486 N ILE A 34 -18.969 13.601 -7.736 1.00 0.00 N ATOM 487 CA ILE A 34 -19.232 13.024 -9.057 1.00 0.00 C ATOM 488 C ILE A 34 -20.562 12.282 -9.041 1.00 0.00 C ATOM 489 O ILE A 34 -21.354 12.368 -9.979 1.00 0.00 O ATOM 490 CB ILE A 34 -18.076 12.085 -9.477 1.00 0.00 C ATOM 491 CG1 ILE A 34 -18.245 11.634 -10.933 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.009 10.855 -8.566 1.00 0.00 C ATOM 493 CD1 ILE A 34 -18.162 12.839 -11.867 1.00 0.00 C ATOM 0 H ILE A 34 -18.139 13.233 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.293 13.827 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.146 12.645 -9.382 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.471 10.910 -11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -19.205 11.132 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.188 10.212 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.844 11.173 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.947 10.304 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -18.283 12.509 -12.899 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -18.952 13.548 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -17.192 13.322 -11.752 1.00 0.00 H new ATOM 505 N THR A 35 -20.826 11.631 -7.933 1.00 0.00 N ATOM 506 CA THR A 35 -22.088 10.961 -7.690 1.00 0.00 C ATOM 507 C THR A 35 -22.347 11.004 -6.190 1.00 0.00 C ATOM 508 O THR A 35 -22.317 9.968 -5.508 1.00 0.00 O ATOM 509 CB THR A 35 -22.059 9.502 -8.234 1.00 0.00 C ATOM 510 OG1 THR A 35 -23.062 8.717 -7.592 1.00 0.00 O ATOM 511 CG2 THR A 35 -20.681 8.857 -8.006 1.00 0.00 C ATOM 0 H THR A 35 -20.163 11.549 -7.162 1.00 0.00 H new ATOM 0 HA THR A 35 -22.899 11.464 -8.217 1.00 0.00 H new ATOM 0 HB THR A 35 -22.256 9.539 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 35 -22.861 8.649 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.687 7.839 -8.395 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.917 9.438 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.461 8.837 -6.939 1.00 0.00 H new ATOM 519 N GLY A 36 -22.362 12.218 -5.656 1.00 0.00 N ATOM 520 CA GLY A 36 -22.332 12.415 -4.225 1.00 0.00 C ATOM 521 C GLY A 36 -20.906 12.218 -3.783 1.00 0.00 C ATOM 522 O GLY A 36 -19.995 12.151 -4.634 1.00 0.00 O ATOM 0 H GLY A 36 -22.395 13.080 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -22.681 13.414 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.992 11.707 -3.724 1.00 0.00 H new ATOM 526 N LYS A 37 -20.686 12.048 -2.504 1.00 0.00 N ATOM 527 CA LYS A 37 -19.351 11.747 -2.055 1.00 0.00 C ATOM 528 C LYS A 37 -19.245 10.260 -1.823 1.00 0.00 C ATOM 529 O LYS A 37 -19.917 9.705 -0.943 1.00 0.00 O ATOM 530 CB LYS A 37 -19.057 12.500 -0.752 1.00 0.00 C ATOM 531 CG LYS A 37 -18.912 14.009 -1.036 1.00 0.00 C ATOM 532 CD LYS A 37 -20.292 14.676 -1.204 1.00 0.00 C ATOM 533 CE LYS A 37 -21.067 14.626 0.118 1.00 0.00 C ATOM 534 NZ LYS A 37 -22.336 15.379 -0.019 1.00 0.00 N ATOM 0 H LYS A 37 -21.393 12.111 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.627 12.058 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.861 12.332 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.142 12.117 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.371 14.486 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.320 14.157 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.168 15.711 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.857 14.168 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.274 13.591 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.465 15.052 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.859 15.343 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.128 16.369 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.912 14.954 -0.773 1.00 0.00 H new ATOM 548 N GLU A 38 -18.370 9.622 -2.568 1.00 0.00 N ATOM 549 CA GLU A 38 -18.115 8.215 -2.391 1.00 0.00 C ATOM 550 C GLU A 38 -17.009 7.992 -1.398 1.00 0.00 C ATOM 551 O GLU A 38 -15.922 8.541 -1.540 1.00 0.00 O ATOM 552 CB GLU A 38 -17.881 7.535 -3.726 1.00 0.00 C ATOM 553 CG GLU A 38 -19.225 7.474 -4.456 1.00 0.00 C ATOM 554 CD GLU A 38 -19.055 6.928 -5.852 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.174 7.394 -6.541 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.803 6.043 -6.216 1.00 0.00 O ATOM 0 H GLU A 38 -17.821 10.062 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.001 7.743 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.150 8.089 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.479 6.533 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.919 6.846 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -19.664 8.471 -4.502 1.00 0.00 H new ATOM 563 N ARG A 39 -17.314 7.300 -0.345 1.00 0.00 N ATOM 564 CA ARG A 39 -16.365 7.151 0.744 1.00 0.00 C ATOM 565 C ARG A 39 -15.265 6.159 0.387 1.00 0.00 C ATOM 566 O ARG A 39 -15.528 5.097 -0.181 1.00 0.00 O ATOM 567 CB ARG A 39 -17.073 6.757 2.042 1.00 0.00 C ATOM 568 CG ARG A 39 -18.390 7.559 2.210 1.00 0.00 C ATOM 569 CD ARG A 39 -18.214 9.033 1.772 1.00 0.00 C ATOM 570 NE ARG A 39 -17.143 9.692 2.525 1.00 0.00 N ATOM 571 CZ ARG A 39 -17.383 10.420 3.619 1.00 0.00 C ATOM 572 NH1 ARG A 39 -18.606 10.547 4.064 1.00 0.00 N ATOM 573 NH2 ARG A 39 -16.393 11.000 4.249 1.00 0.00 N ATOM 0 H ARG A 39 -18.206 6.826 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.891 8.119 0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.290 5.689 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.416 6.943 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -19.179 7.094 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.709 7.523 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.989 9.073 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -19.150 9.572 1.920 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.181 9.591 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.376 10.090 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -18.790 11.103 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.439 10.896 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.576 11.556 5.084 1.00 0.00 H new ATOM 587 N LEU A 40 -14.028 6.535 0.671 1.00 0.00 N ATOM 588 CA LEU A 40 -12.886 5.697 0.352 1.00 0.00 C ATOM 589 C LEU A 40 -12.698 4.654 1.428 1.00 0.00 C ATOM 590 O LEU A 40 -12.670 4.985 2.620 1.00 0.00 O ATOM 591 CB LEU A 40 -11.614 6.550 0.243 1.00 0.00 C ATOM 592 CG LEU A 40 -11.796 7.619 -0.848 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.352 8.904 -0.225 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.445 7.919 -1.503 1.00 0.00 C ATOM 0 H LEU A 40 -13.790 7.418 1.123 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.071 5.206 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.401 7.026 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.759 5.916 0.005 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.493 7.248 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.480 9.659 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.315 8.695 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.657 9.273 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.576 8.677 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.749 8.286 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.048 7.008 -1.951 1.00 0.00 H new ATOM 606 N LYS A 41 -12.525 3.409 1.015 1.00 0.00 N ATOM 607 CA LYS A 41 -12.306 2.311 1.949 1.00 0.00 C ATOM 608 C LYS A 41 -10.956 1.706 1.761 1.00 0.00 C ATOM 609 O LYS A 41 -10.437 1.683 0.646 1.00 0.00 O ATOM 610 CB LYS A 41 -13.328 1.203 1.779 1.00 0.00 C ATOM 611 CG LYS A 41 -14.706 1.646 2.243 1.00 0.00 C ATOM 612 CD LYS A 41 -15.647 0.441 2.158 1.00 0.00 C ATOM 613 CE LYS A 41 -15.216 -0.610 3.198 1.00 0.00 C ATOM 614 NZ LYS A 41 -15.313 -0.029 4.557 1.00 0.00 N ATOM 0 H LYS A 41 -12.532 3.130 0.034 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.398 2.745 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.373 0.905 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.015 0.327 2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.661 2.022 3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.074 2.461 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.675 0.753 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.619 0.012 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.850 -1.493 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.194 -0.934 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.426 -0.793 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.447 0.507 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.134 0.607 4.605 1.00 0.00 H new ATOM 628 N ALA A 42 -10.452 1.098 2.818 1.00 0.00 N ATOM 629 CA ALA A 42 -9.210 0.368 2.752 1.00 0.00 C ATOM 630 C ALA A 42 -9.283 -0.885 3.606 1.00 0.00 C ATOM 631 O ALA A 42 -9.812 -0.858 4.726 1.00 0.00 O ATOM 632 CB ALA A 42 -8.067 1.249 3.207 1.00 0.00 C ATOM 0 H ALA A 42 -10.892 1.098 3.738 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.035 0.069 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.133 0.690 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.003 2.124 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.241 1.568 4.235 1.00 0.00 H new ATOM 638 N TYR A 43 -8.783 -1.983 3.069 1.00 0.00 N ATOM 639 CA TYR A 43 -8.800 -3.267 3.756 1.00 0.00 C ATOM 640 C TYR A 43 -7.718 -4.197 3.230 1.00 0.00 C ATOM 641 O TYR A 43 -7.176 -3.988 2.139 1.00 0.00 O ATOM 642 CB TYR A 43 -10.181 -3.925 3.660 1.00 0.00 C ATOM 643 CG TYR A 43 -10.669 -3.899 2.227 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.308 -4.917 1.341 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.495 -2.854 1.794 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.771 -4.896 0.025 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.958 -2.831 0.476 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.597 -3.855 -0.412 1.00 0.00 C ATOM 649 OH TYR A 43 -12.064 -3.849 -1.710 1.00 0.00 O ATOM 0 H TYR A 43 -8.353 -2.013 2.144 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.588 -3.077 4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.128 -4.954 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.888 -3.401 4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.670 -5.721 1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.774 -2.067 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.491 -5.685 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.594 -2.025 0.141 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.043 -3.807 -1.705 1.00 0.00 H new ATOM 659 N GLY A 44 -7.424 -5.241 3.988 1.00 0.00 N ATOM 660 CA GLY A 44 -6.462 -6.230 3.571 1.00 0.00 C ATOM 661 C GLY A 44 -7.060 -7.086 2.478 1.00 0.00 C ATOM 662 O GLY A 44 -8.280 -7.189 2.371 1.00 0.00 O ATOM 0 H GLY A 44 -7.845 -5.420 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.556 -5.742 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.174 -6.852 4.418 1.00 0.00 H new ATOM 666 N GLU A 45 -6.205 -7.665 1.658 1.00 0.00 N ATOM 667 CA GLU A 45 -6.622 -8.529 0.557 1.00 0.00 C ATOM 668 C GLU A 45 -7.968 -9.199 0.839 1.00 0.00 C ATOM 669 O GLU A 45 -8.065 -10.112 1.681 1.00 0.00 O ATOM 670 CB GLU A 45 -5.544 -9.567 0.304 1.00 0.00 C ATOM 671 CG GLU A 45 -4.293 -8.866 -0.263 1.00 0.00 C ATOM 672 CD GLU A 45 -3.959 -9.396 -1.642 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.853 -9.471 -2.460 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.809 -9.718 -1.869 1.00 0.00 O ATOM 0 H GLU A 45 -5.194 -7.552 1.732 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.756 -7.916 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.297 -10.086 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.904 -10.320 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.464 -7.791 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.447 -9.023 0.407 1.00 0.00 H new ATOM 881 N PRO A 57 -3.777 -9.538 5.763 1.00 0.00 N ATOM 882 CA PRO A 57 -4.595 -8.372 6.164 1.00 0.00 C ATOM 883 C PRO A 57 -3.697 -7.166 6.286 1.00 0.00 C ATOM 884 O PRO A 57 -2.505 -7.267 6.007 1.00 0.00 O ATOM 885 CB PRO A 57 -5.198 -8.767 7.514 1.00 0.00 C ATOM 886 CG PRO A 57 -4.335 -9.872 8.022 1.00 0.00 C ATOM 887 CD PRO A 57 -3.792 -10.593 6.788 1.00 0.00 C ATOM 0 HA PRO A 57 -5.376 -8.117 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.204 -7.923 8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.232 -9.095 7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.522 -9.481 8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.907 -10.554 8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.795 -10.998 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.429 -11.428 6.497 1.00 0.00 H new ATOM 895 N ILE A 58 -4.248 -6.018 6.630 1.00 0.00 N ATOM 896 CA ILE A 58 -3.416 -4.836 6.767 1.00 0.00 C ATOM 897 C ILE A 58 -2.334 -5.089 7.824 1.00 0.00 C ATOM 898 O ILE A 58 -2.445 -4.654 8.975 1.00 0.00 O ATOM 899 CB ILE A 58 -4.275 -3.621 7.144 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.240 -3.301 5.995 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.373 -2.409 7.405 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.302 -2.311 6.465 1.00 0.00 C ATOM 0 H ILE A 58 -5.241 -5.878 6.816 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.932 -4.623 5.814 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.843 -3.848 8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.689 -2.883 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.715 -4.217 5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.987 -1.549 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.689 -2.634 8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.801 -2.181 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.982 -2.090 5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.862 -2.745 7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.821 -1.391 6.795 1.00 0.00 H new ATOM 914 N VAL A 59 -1.324 -5.830 7.425 1.00 0.00 N ATOM 915 CA VAL A 59 -0.210 -6.184 8.270 1.00 0.00 C ATOM 916 C VAL A 59 1.072 -6.066 7.461 1.00 0.00 C ATOM 917 O VAL A 59 1.036 -6.144 6.229 1.00 0.00 O ATOM 918 CB VAL A 59 -0.373 -7.630 8.790 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.660 -7.744 9.613 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.444 -8.621 7.613 1.00 0.00 C ATOM 0 H VAL A 59 -1.255 -6.211 6.481 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.172 -5.512 9.127 1.00 0.00 H new ATOM 0 HB VAL A 59 0.489 -7.871 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.770 -8.766 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.612 -7.060 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.515 -7.488 8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.559 -9.635 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.297 -8.374 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.473 -8.557 7.027 1.00 0.00 H new ATOM 930 N SER A 60 2.201 -6.004 8.132 1.00 0.00 N ATOM 931 CA SER A 60 3.468 -6.046 7.433 1.00 0.00 C ATOM 932 C SER A 60 4.185 -7.344 7.764 1.00 0.00 C ATOM 933 O SER A 60 4.520 -7.581 8.929 1.00 0.00 O ATOM 934 CB SER A 60 4.345 -4.839 7.792 1.00 0.00 C ATOM 935 OG SER A 60 4.205 -4.507 9.178 1.00 0.00 O ATOM 0 H SER A 60 2.269 -5.925 9.147 1.00 0.00 H new ATOM 0 HA SER A 60 3.275 -6.002 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.389 -5.062 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.064 -3.983 7.178 1.00 0.00 H new ATOM 0 HG SER A 60 5.053 -4.151 9.516 1.00 0.00 H new ATOM 941 N THR A 61 4.409 -8.193 6.765 1.00 0.00 N ATOM 942 CA THR A 61 5.077 -9.455 7.031 1.00 0.00 C ATOM 943 C THR A 61 6.509 -9.182 7.436 1.00 0.00 C ATOM 944 O THR A 61 7.289 -8.643 6.638 1.00 0.00 O ATOM 945 CB THR A 61 5.038 -10.376 5.800 1.00 0.00 C ATOM 946 OG1 THR A 61 5.881 -9.859 4.790 1.00 0.00 O ATOM 947 CG2 THR A 61 3.607 -10.477 5.262 1.00 0.00 C ATOM 0 H THR A 61 4.145 -8.034 5.792 1.00 0.00 H new ATOM 0 HA THR A 61 4.555 -9.965 7.841 1.00 0.00 H new ATOM 0 HB THR A 61 5.383 -11.368 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.466 -9.171 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.591 -11.132 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.956 -10.886 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.254 -9.486 4.978 1.00 0.00 H new ATOM 955 N LYS A 62 6.842 -9.512 8.665 1.00 0.00 N ATOM 956 CA LYS A 62 8.172 -9.263 9.172 1.00 0.00 C ATOM 957 C LYS A 62 9.171 -10.196 8.516 1.00 0.00 C ATOM 958 O LYS A 62 9.076 -11.418 8.684 1.00 0.00 O ATOM 959 CB LYS A 62 8.213 -9.525 10.678 1.00 0.00 C ATOM 960 CG LYS A 62 7.343 -8.528 11.458 1.00 0.00 C ATOM 961 CD LYS A 62 8.016 -7.154 11.477 1.00 0.00 C ATOM 962 CE LYS A 62 7.573 -6.383 12.733 1.00 0.00 C ATOM 963 NZ LYS A 62 8.710 -6.287 13.674 1.00 0.00 N ATOM 0 H LYS A 62 6.209 -9.954 9.331 1.00 0.00 H new ATOM 0 HA LYS A 62 8.426 -8.226 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.871 -10.540 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.243 -9.460 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.358 -8.454 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.193 -8.883 12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.100 -7.268 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.749 -6.594 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.228 -5.386 12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.734 -6.891 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.351 -6.237 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.317 -7.125 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.263 -5.431 13.465 1.00 0.00 H new ATOM 977 N LYS A 63 10.221 -9.632 7.951 1.00 0.00 N ATOM 978 CA LYS A 63 11.345 -10.430 7.509 1.00 0.00 C ATOM 979 C LYS A 63 12.628 -9.764 7.957 1.00 0.00 C ATOM 980 O LYS A 63 12.734 -8.537 7.929 1.00 0.00 O ATOM 981 CB LYS A 63 11.338 -10.641 5.991 1.00 0.00 C ATOM 982 CG LYS A 63 10.044 -11.375 5.581 1.00 0.00 C ATOM 983 CD LYS A 63 10.269 -12.178 4.288 1.00 0.00 C ATOM 984 CE LYS A 63 10.662 -11.253 3.132 1.00 0.00 C ATOM 985 NZ LYS A 63 11.440 -12.022 2.128 1.00 0.00 N ATOM 0 H LYS A 63 10.318 -8.630 7.788 1.00 0.00 H new ATOM 0 HA LYS A 63 11.268 -11.419 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.402 -9.681 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.210 -11.222 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.729 -12.044 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.240 -10.654 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.051 -12.920 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.361 -12.723 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.770 -10.830 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.254 -10.418 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.708 -11.396 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.298 -12.405 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.860 -12.805 1.764 1.00 0.00 H new ATOM 999 N LEU A 64 13.567 -10.553 8.439 1.00 0.00 N ATOM 1000 CA LEU A 64 14.801 -10.012 8.979 1.00 0.00 C ATOM 1001 C LEU A 64 15.953 -10.396 8.066 1.00 0.00 C ATOM 1002 O LEU A 64 16.152 -11.583 7.780 1.00 0.00 O ATOM 1003 CB LEU A 64 15.025 -10.602 10.392 1.00 0.00 C ATOM 1004 CG LEU A 64 15.949 -9.703 11.248 1.00 0.00 C ATOM 1005 CD1 LEU A 64 17.110 -9.151 10.431 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.145 -8.537 11.831 1.00 0.00 C ATOM 0 H LEU A 64 13.501 -11.570 8.468 1.00 0.00 H new ATOM 0 HA LEU A 64 14.744 -8.925 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.065 -10.719 10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.463 -11.596 10.306 1.00 0.00 H new ATOM 0 HG LEU A 64 16.356 -10.318 12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.737 -8.525 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.703 -9.977 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.722 -8.556 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.801 -7.908 12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.720 -7.947 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.341 -8.926 12.456 1.00 0.00 H new ATOM 1018 N ASP A 65 16.698 -9.410 7.577 1.00 0.00 N ATOM 1019 CA ASP A 65 17.840 -9.688 6.715 1.00 0.00 C ATOM 1020 C ASP A 65 19.135 -9.473 7.451 1.00 0.00 C ATOM 1021 O ASP A 65 19.208 -8.664 8.373 1.00 0.00 O ATOM 1022 CB ASP A 65 17.837 -8.821 5.435 1.00 0.00 C ATOM 1023 CG ASP A 65 17.599 -9.652 4.167 1.00 0.00 C ATOM 1024 OD1 ASP A 65 17.491 -10.851 4.259 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.535 -9.061 3.110 1.00 0.00 O ATOM 0 H ASP A 65 16.533 -8.420 7.761 1.00 0.00 H new ATOM 0 HA ASP A 65 17.752 -10.734 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.062 -8.059 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.790 -8.299 5.351 1.00 0.00 H new ATOM 1030 N LYS A 66 20.165 -10.124 6.947 1.00 0.00 N ATOM 1031 CA LYS A 66 21.547 -9.996 7.417 1.00 0.00 C ATOM 1032 C LYS A 66 21.850 -8.583 7.941 1.00 0.00 C ATOM 1033 O LYS A 66 22.682 -8.396 8.839 1.00 0.00 O ATOM 1034 CB LYS A 66 22.486 -10.323 6.243 1.00 0.00 C ATOM 1035 CG LYS A 66 22.214 -9.358 5.059 1.00 0.00 C ATOM 1036 CD LYS A 66 21.259 -10.000 4.036 1.00 0.00 C ATOM 1037 CE LYS A 66 20.666 -8.910 3.123 1.00 0.00 C ATOM 1038 NZ LYS A 66 19.756 -9.531 2.122 1.00 0.00 N ATOM 0 H LYS A 66 20.069 -10.781 6.173 1.00 0.00 H new ATOM 0 HA LYS A 66 21.698 -10.687 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.524 -10.236 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 66 22.336 -11.354 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.782 -8.430 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 66 23.154 -9.099 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.794 -10.737 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.459 -10.529 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.120 -8.180 3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.467 -8.372 2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.094 -9.313 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.742 -10.562 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.795 -9.153 2.245 1.00 0.00 H new ATOM 1052 N GLU A 67 21.173 -7.603 7.366 1.00 0.00 N ATOM 1053 CA GLU A 67 21.360 -6.213 7.721 1.00 0.00 C ATOM 1054 C GLU A 67 21.055 -5.997 9.191 1.00 0.00 C ATOM 1055 O GLU A 67 21.497 -5.018 9.787 1.00 0.00 O ATOM 1056 CB GLU A 67 20.428 -5.343 6.871 1.00 0.00 C ATOM 1057 CG GLU A 67 20.816 -5.467 5.390 1.00 0.00 C ATOM 1058 CD GLU A 67 22.197 -4.893 5.165 1.00 0.00 C ATOM 1059 OE1 GLU A 67 22.403 -3.754 5.502 1.00 0.00 O ATOM 1060 OE2 GLU A 67 23.037 -5.607 4.665 1.00 0.00 O ATOM 0 H GLU A 67 20.476 -7.754 6.637 1.00 0.00 H new ATOM 0 HA GLU A 67 22.398 -5.936 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.393 -5.654 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 20.495 -4.303 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.795 -6.514 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.090 -4.941 4.770 1.00 0.00 H new ATOM 1067 N GLY A 68 20.179 -6.826 9.730 1.00 0.00 N ATOM 1068 CA GLY A 68 19.690 -6.635 11.082 1.00 0.00 C ATOM 1069 C GLY A 68 18.506 -5.713 11.032 1.00 0.00 C ATOM 1070 O GLY A 68 17.946 -5.310 12.063 1.00 0.00 O ATOM 0 H GLY A 68 19.792 -7.639 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.407 -7.592 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.473 -6.213 11.712 1.00 0.00 H new ATOM 1074 N ARG A 69 18.089 -5.422 9.816 1.00 0.00 N ATOM 1075 CA ARG A 69 16.951 -4.586 9.575 1.00 0.00 C ATOM 1076 C ARG A 69 15.771 -5.479 9.253 1.00 0.00 C ATOM 1077 O ARG A 69 15.898 -6.434 8.477 1.00 0.00 O ATOM 1078 CB ARG A 69 17.231 -3.658 8.380 1.00 0.00 C ATOM 1079 CG ARG A 69 18.515 -2.843 8.621 1.00 0.00 C ATOM 1080 CD ARG A 69 18.307 -1.837 9.755 1.00 0.00 C ATOM 1081 NE ARG A 69 19.571 -1.171 10.078 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.161 -1.290 11.280 1.00 0.00 C ATOM 1083 NH1 ARG A 69 19.562 -1.936 12.252 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.310 -0.726 11.489 1.00 0.00 N ATOM 0 H ARG A 69 18.540 -5.766 8.968 1.00 0.00 H new ATOM 0 HA ARG A 69 16.740 -3.976 10.453 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.333 -4.248 7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.388 -2.984 8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.337 -3.514 8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.796 -2.318 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.562 -1.097 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.920 -2.347 10.637 1.00 0.00 H new ATOM 0 HE ARG A 69 20.020 -0.596 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.643 -2.352 12.098 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.015 -2.023 13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.761 -0.196 10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.763 -0.813 12.399 1.00 0.00 H new ATOM 1098 N THR A 70 14.646 -5.191 9.854 1.00 0.00 N ATOM 1099 CA THR A 70 13.449 -5.969 9.636 1.00 0.00 C ATOM 1100 C THR A 70 12.645 -5.354 8.496 1.00 0.00 C ATOM 1101 O THR A 70 12.336 -4.161 8.526 1.00 0.00 O ATOM 1102 CB THR A 70 12.614 -5.977 10.909 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.462 -5.863 12.054 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.788 -7.257 10.999 1.00 0.00 C ATOM 0 H THR A 70 14.531 -4.415 10.506 1.00 0.00 H new ATOM 0 HA THR A 70 13.719 -6.992 9.375 1.00 0.00 H new ATOM 0 HB THR A 70 11.935 -5.125 10.882 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.003 -5.350 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.198 -7.245 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.122 -7.321 10.139 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.454 -8.120 11.008 1.00 0.00 H new ATOM 1112 N HIS A 71 12.317 -6.162 7.505 1.00 0.00 N ATOM 1113 CA HIS A 71 11.564 -5.703 6.342 1.00 0.00 C ATOM 1114 C HIS A 71 10.078 -5.836 6.603 1.00 0.00 C ATOM 1115 O HIS A 71 9.604 -6.912 6.975 1.00 0.00 O ATOM 1116 CB HIS A 71 11.933 -6.555 5.120 1.00 0.00 C ATOM 1117 CG HIS A 71 11.770 -5.780 3.828 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.862 -5.359 3.082 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.656 -5.399 3.106 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.389 -4.766 1.967 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.053 -4.767 1.927 1.00 0.00 N ATOM 0 H HIS A 71 12.562 -7.152 7.479 1.00 0.00 H new ATOM 0 HA HIS A 71 11.809 -4.658 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.964 -6.897 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.304 -7.445 5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.633 -5.565 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.016 -4.341 1.197 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.454 -4.388 1.194 1.00 0.00 H new ATOM 1130 N HIS A 72 9.347 -4.766 6.360 1.00 0.00 N ATOM 1131 CA HIS A 72 7.899 -4.772 6.488 1.00 0.00 C ATOM 1132 C HIS A 72 7.282 -4.826 5.110 1.00 0.00 C ATOM 1133 O HIS A 72 7.275 -3.826 4.405 1.00 0.00 O ATOM 1134 CB HIS A 72 7.420 -3.479 7.173 1.00 0.00 C ATOM 1135 CG HIS A 72 7.563 -3.571 8.665 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.466 -3.705 9.514 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.664 -3.525 9.475 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.936 -3.726 10.771 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.270 -3.621 10.805 1.00 0.00 N ATOM 0 H HIS A 72 9.736 -3.869 6.069 1.00 0.00 H new ATOM 0 HA HIS A 72 7.603 -5.637 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.997 -2.632 6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.377 -3.292 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.684 -3.429 9.134 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.313 -3.817 11.649 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.869 -3.613 11.630 1.00 0.00 H new ATOM 1148 N TYR A 73 6.681 -5.949 4.766 1.00 0.00 N ATOM 1149 CA TYR A 73 5.952 -6.058 3.513 1.00 0.00 C ATOM 1150 C TYR A 73 4.495 -5.880 3.809 1.00 0.00 C ATOM 1151 O TYR A 73 3.886 -6.739 4.451 1.00 0.00 O ATOM 1152 CB TYR A 73 6.144 -7.441 2.888 1.00 0.00 C ATOM 1153 CG TYR A 73 7.574 -7.648 2.474 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.521 -8.076 3.407 1.00 0.00 C ATOM 1155 CD2 TYR A 73 7.949 -7.421 1.152 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.843 -8.277 3.009 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.268 -7.620 0.757 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.215 -8.048 1.682 1.00 0.00 C ATOM 1159 OH TYR A 73 11.517 -8.245 1.286 1.00 0.00 O ATOM 0 H TYR A 73 6.682 -6.797 5.333 1.00 0.00 H new ATOM 0 HA TYR A 73 6.320 -5.302 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.853 -8.211 3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.491 -7.547 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.231 -8.251 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.215 -7.090 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.579 -8.610 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.557 -7.442 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 73 11.603 -8.041 0.331 1.00 0.00 H new ATOM 1169 N MET A 74 3.947 -4.756 3.408 1.00 0.00 N ATOM 1170 CA MET A 74 2.560 -4.461 3.686 1.00 0.00 C ATOM 1171 C MET A 74 1.815 -4.202 2.402 1.00 0.00 C ATOM 1172 O MET A 74 2.107 -3.224 1.699 1.00 0.00 O ATOM 1173 CB MET A 74 2.463 -3.221 4.586 1.00 0.00 C ATOM 1174 CG MET A 74 1.011 -2.970 4.990 1.00 0.00 C ATOM 1175 SD MET A 74 0.940 -1.498 6.040 1.00 0.00 S ATOM 1176 CE MET A 74 1.403 -0.296 4.766 1.00 0.00 C ATOM 0 H MET A 74 4.441 -4.031 2.888 1.00 0.00 H new ATOM 0 HA MET A 74 2.115 -5.318 4.192 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.076 -3.361 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.857 -2.351 4.061 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.392 -2.831 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.614 -3.833 5.524 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.909 0.655 4.966 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.484 -0.153 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.095 -0.666 3.788 1.00 0.00 H new ATOM 1186 N ARG A 75 0.764 -4.972 2.166 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.132 -4.703 1.063 1.00 0.00 C ATOM 1188 C ARG A 75 -1.558 -4.638 1.557 1.00 0.00 C ATOM 1189 O ARG A 75 -1.970 -5.440 2.394 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.024 -5.733 -0.079 1.00 0.00 C ATOM 1191 CG ARG A 75 0.001 -7.171 0.465 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.359 -8.138 -0.678 1.00 0.00 C ATOM 1193 NE ARG A 75 0.586 -8.020 -1.793 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.334 -8.576 -2.992 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.783 -9.239 -3.191 1.00 0.00 N ATOM 1196 NH2 ARG A 75 1.203 -8.454 -3.960 1.00 0.00 N ATOM 0 H ARG A 75 0.514 -5.787 2.726 1.00 0.00 H new ATOM 0 HA ARG A 75 0.170 -3.741 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.867 -5.614 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.881 -5.545 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.988 -7.407 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.708 -7.277 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.358 -9.162 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.369 -7.928 -1.031 1.00 0.00 H new ATOM 0 HE ARG A 75 1.455 -7.504 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.462 -9.333 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.971 -9.659 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.069 -7.938 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.015 -8.874 -4.870 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.320 -3.720 1.007 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.725 -3.590 1.348 1.00 0.00 C ATOM 1212 C PHE A 76 -4.508 -3.075 0.175 1.00 0.00 C ATOM 1213 O PHE A 76 -3.926 -2.643 -0.832 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.943 -2.735 2.609 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.392 -1.331 2.434 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -2.061 -1.063 2.765 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.214 -0.296 1.961 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.550 0.228 2.626 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.697 0.999 1.828 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.367 1.260 2.159 1.00 0.00 C ATOM 0 H PHE A 76 -1.990 -3.046 0.316 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.100 -4.585 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.008 -2.683 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.460 -3.213 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.426 -1.857 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.242 -0.498 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.520 0.430 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.329 1.797 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.970 2.259 2.054 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.806 -3.239 0.227 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.648 -2.864 -0.879 1.00 0.00 C ATOM 1232 C HIS A 77 -7.538 -1.721 -0.483 1.00 0.00 C ATOM 1233 O HIS A 77 -7.959 -1.630 0.677 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.496 -4.050 -1.346 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.602 -5.177 -1.777 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.238 -5.018 -1.951 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.863 -6.490 -2.049 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -4.735 -6.217 -2.311 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -5.684 -7.151 -2.383 1.00 0.00 N ATOM 0 H HIS A 77 -6.303 -3.631 1.027 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.009 -2.552 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.150 -4.381 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.138 -3.746 -2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.840 -6.948 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.690 -6.398 -2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.571 -8.134 -2.629 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.838 -0.862 -1.430 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.712 0.252 -1.167 1.00 0.00 C ATOM 1250 C VAL A 78 -9.794 0.302 -2.221 1.00 0.00 C ATOM 1251 O VAL A 78 -9.582 -0.132 -3.361 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.924 1.583 -1.143 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.585 1.396 -0.423 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.674 2.087 -2.570 1.00 0.00 C ATOM 0 H VAL A 78 -7.489 -0.915 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.166 0.116 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.520 2.321 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.042 2.341 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.765 1.071 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.994 0.643 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.119 3.024 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.097 1.345 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.628 2.251 -3.071 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.907 0.902 -1.878 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.984 1.081 -2.819 1.00 0.00 C ATOM 1266 C GLU A 79 -12.140 2.532 -3.185 1.00 0.00 C ATOM 1267 O GLU A 79 -12.468 3.383 -2.345 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.279 0.500 -2.279 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.184 -1.036 -2.305 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.373 -1.665 -1.620 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.269 -0.950 -1.237 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.376 -2.864 -1.485 1.00 0.00 O ATOM 0 H GLU A 79 -11.091 1.277 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.735 0.536 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.454 0.850 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.123 0.836 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.129 -1.383 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.266 -1.355 -1.812 1.00 0.00 H new ATOM 1279 N SER A 80 -11.906 2.800 -4.430 1.00 0.00 N ATOM 1280 CA SER A 80 -11.988 4.122 -4.967 1.00 0.00 C ATOM 1281 C SER A 80 -13.404 4.395 -5.424 1.00 0.00 C ATOM 1282 O SER A 80 -14.295 3.545 -5.267 1.00 0.00 O ATOM 1283 CB SER A 80 -11.019 4.261 -6.132 1.00 0.00 C ATOM 1284 OG SER A 80 -10.048 3.217 -6.073 1.00 0.00 O ATOM 0 H SER A 80 -11.647 2.092 -5.117 1.00 0.00 H new ATOM 0 HA SER A 80 -11.719 4.847 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.561 4.215 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.526 5.233 -6.095 1.00 0.00 H new ATOM 0 HG SER A 80 -10.474 2.361 -6.290 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.628 5.565 -5.984 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.955 5.927 -6.418 1.00 0.00 C ATOM 1292 C LYS A 81 -15.398 4.998 -7.545 1.00 0.00 C ATOM 1293 O LYS A 81 -16.585 4.716 -7.705 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.970 7.374 -6.934 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.130 8.308 -6.035 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.511 8.175 -4.553 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.774 9.575 -3.965 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.206 9.678 -2.596 1.00 0.00 N ATOM 0 H LYS A 81 -12.913 6.274 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.634 5.837 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.581 7.402 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.998 7.735 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.072 8.076 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.270 9.341 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.399 7.552 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.710 7.682 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.330 10.335 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.846 9.768 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.832 10.637 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.950 9.483 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.438 8.986 -2.486 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.434 4.599 -8.375 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.725 3.780 -9.556 1.00 0.00 C ATOM 1314 C LYS A 82 -13.774 2.581 -9.647 1.00 0.00 C ATOM 1315 O LYS A 82 -13.869 1.763 -10.564 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.613 4.651 -10.823 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.457 5.930 -10.631 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.950 5.566 -10.532 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.714 6.682 -9.811 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.289 6.129 -8.560 1.00 0.00 N ATOM 0 H LYS A 82 -13.447 4.828 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.740 3.391 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.571 4.912 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.963 4.096 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.141 6.452 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.295 6.611 -11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.363 5.416 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.069 4.626 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.046 7.513 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.505 7.073 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.336 6.877 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -19.246 5.769 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.689 5.353 -8.215 1.00 0.00 H new ATOM 1334 N LYS A 83 -12.799 2.548 -8.750 1.00 0.00 N ATOM 1335 CA LYS A 83 -11.756 1.522 -8.757 1.00 0.00 C ATOM 1336 C LYS A 83 -11.626 0.846 -7.414 1.00 0.00 C ATOM 1337 O LYS A 83 -11.696 1.499 -6.383 1.00 0.00 O ATOM 1338 CB LYS A 83 -10.402 2.150 -9.087 1.00 0.00 C ATOM 1339 CG LYS A 83 -10.376 2.701 -10.511 1.00 0.00 C ATOM 1340 CD LYS A 83 -10.315 1.541 -11.506 1.00 0.00 C ATOM 1341 CE LYS A 83 -10.246 2.100 -12.925 1.00 0.00 C ATOM 1342 NZ LYS A 83 -10.004 0.990 -13.875 1.00 0.00 N ATOM 0 H LYS A 83 -12.705 3.229 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.043 0.787 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.190 2.953 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.615 1.405 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.264 3.305 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.513 3.354 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.443 0.919 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.193 0.905 -11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.177 2.610 -13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.448 2.839 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.024 1.356 -14.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.074 0.565 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.744 0.268 -13.761 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.155 -0.370 -7.451 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.688 -1.053 -6.264 1.00 0.00 C ATOM 1358 C ILE A 84 -9.184 -1.160 -6.433 1.00 0.00 C ATOM 1359 O ILE A 84 -8.718 -1.481 -7.534 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.332 -2.439 -6.208 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.852 -2.285 -6.265 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.952 -3.142 -4.899 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.450 -3.509 -6.935 1.00 0.00 C ATOM 0 H ILE A 84 -11.082 -0.922 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.943 -0.532 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.980 -3.033 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.257 -2.171 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.118 -1.385 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.415 -4.128 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.869 -3.248 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.302 -2.550 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.534 -3.406 -6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.053 -3.601 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.193 -4.400 -6.362 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.424 -0.704 -5.457 1.00 0.00 N ATOM 1376 CA ALA A 85 -6.980 -0.570 -5.655 1.00 0.00 C ATOM 1377 C ALA A 85 -6.175 -1.335 -4.633 1.00 0.00 C ATOM 1378 O ALA A 85 -6.607 -1.527 -3.498 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.568 0.908 -5.659 1.00 0.00 C ATOM 0 H ALA A 85 -8.764 -0.424 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.758 -1.008 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.491 0.985 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.084 1.427 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.836 1.363 -4.706 1.00 0.00 H new ATOM 1385 N LEU A 86 -4.963 -1.695 -5.033 1.00 0.00 N ATOM 1386 CA LEU A 86 -3.997 -2.384 -4.188 1.00 0.00 C ATOM 1387 C LEU A 86 -2.851 -1.461 -3.824 1.00 0.00 C ATOM 1388 O LEU A 86 -2.224 -0.864 -4.696 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.478 -3.655 -4.910 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.080 -4.077 -4.395 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.118 -4.443 -2.915 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.582 -5.281 -5.205 1.00 0.00 C ATOM 0 H LEU A 86 -4.616 -1.512 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.488 -2.686 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.183 -4.472 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.430 -3.470 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.403 -3.232 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.120 -4.734 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.454 -3.583 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.807 -5.274 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.598 -5.580 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.279 -6.111 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.515 -5.008 -6.258 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.553 -1.383 -2.546 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.435 -0.593 -2.077 1.00 0.00 C ATOM 1406 C VAL A 87 -0.418 -1.523 -1.460 1.00 0.00 C ATOM 1407 O VAL A 87 -0.768 -2.367 -0.627 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.909 0.434 -1.040 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.725 1.289 -0.569 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.988 1.334 -1.653 1.00 0.00 C ATOM 0 H VAL A 87 -3.072 -1.860 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.987 -0.053 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.328 -0.095 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.071 2.015 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.031 0.646 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.293 1.814 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.320 2.061 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.577 1.858 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.835 0.724 -1.968 1.00 0.00 H new ATOM 1420 N HIS A 88 0.825 -1.401 -1.896 1.00 0.00 N ATOM 1421 CA HIS A 88 1.904 -2.244 -1.412 1.00 0.00 C ATOM 1422 C HIS A 88 3.046 -1.374 -0.939 1.00 0.00 C ATOM 1423 O HIS A 88 3.566 -0.552 -1.699 1.00 0.00 O ATOM 1424 CB HIS A 88 2.351 -3.202 -2.532 1.00 0.00 C ATOM 1425 CG HIS A 88 3.698 -3.846 -2.249 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.464 -4.384 -3.267 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.426 -4.056 -1.090 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.588 -4.879 -2.728 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.626 -4.709 -1.409 1.00 0.00 N ATOM 0 H HIS A 88 1.113 -0.716 -2.594 1.00 0.00 H new ATOM 0 HA HIS A 88 1.563 -2.846 -0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.600 -3.981 -2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.405 -2.654 -3.473 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.217 -4.401 -4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.118 -3.763 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.370 -5.359 -3.298 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.367 -4.992 -0.768 1.00 0.00 H new ATOM 1438 N LEU A 89 3.374 -1.495 0.337 1.00 0.00 N ATOM 1439 CA LEU A 89 4.417 -0.687 0.938 1.00 0.00 C ATOM 1440 C LEU A 89 5.458 -1.555 1.600 1.00 0.00 C ATOM 1441 O LEU A 89 5.120 -2.473 2.366 1.00 0.00 O ATOM 1442 CB LEU A 89 3.820 0.293 1.962 1.00 0.00 C ATOM 1443 CG LEU A 89 4.943 1.129 2.602 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.415 2.514 2.984 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.466 0.420 3.859 1.00 0.00 C ATOM 0 H LEU A 89 2.928 -2.151 0.979 1.00 0.00 H new ATOM 0 HA LEU A 89 4.898 -0.116 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.099 0.949 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.279 -0.257 2.733 1.00 0.00 H new ATOM 0 HG LEU A 89 5.753 1.240 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.217 3.097 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.054 3.025 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.598 2.408 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.261 1.015 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.653 0.301 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.857 -0.561 3.588 1.00 0.00 H new ATOM 1457 N GLU A 90 6.716 -1.225 1.367 1.00 0.00 N ATOM 1458 CA GLU A 90 7.810 -1.897 2.026 1.00 0.00 C ATOM 1459 C GLU A 90 8.642 -0.936 2.827 1.00 0.00 C ATOM 1460 O GLU A 90 9.139 0.065 2.302 1.00 0.00 O ATOM 1461 CB GLU A 90 8.674 -2.677 1.051 1.00 0.00 C ATOM 1462 CG GLU A 90 7.895 -3.901 0.567 1.00 0.00 C ATOM 1463 CD GLU A 90 8.704 -4.698 -0.427 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.912 -4.560 -0.438 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.110 -5.462 -1.149 1.00 0.00 O ATOM 0 H GLU A 90 7.001 -0.489 0.721 1.00 0.00 H new ATOM 0 HA GLU A 90 7.366 -2.617 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.950 -2.047 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.601 -2.987 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.635 -4.531 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.959 -3.583 0.108 1.00 0.00 H new ATOM 1472 N ALA A 91 8.829 -1.264 4.083 1.00 0.00 N ATOM 1473 CA ALA A 91 9.637 -0.463 4.976 1.00 0.00 C ATOM 1474 C ALA A 91 10.551 -1.363 5.766 1.00 0.00 C ATOM 1475 O ALA A 91 10.208 -2.522 6.011 1.00 0.00 O ATOM 1476 CB ALA A 91 8.748 0.347 5.926 1.00 0.00 C ATOM 0 H ALA A 91 8.426 -2.094 4.517 1.00 0.00 H new ATOM 0 HA ALA A 91 10.232 0.234 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.374 0.943 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.102 1.007 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.135 -0.332 6.518 1.00 0.00 H new ATOM 1482 N LYS A 92 11.690 -0.843 6.206 1.00 0.00 N ATOM 1483 CA LYS A 92 12.591 -1.653 7.023 1.00 0.00 C ATOM 1484 C LYS A 92 12.814 -1.038 8.390 1.00 0.00 C ATOM 1485 O LYS A 92 12.961 0.187 8.522 1.00 0.00 O ATOM 1486 CB LYS A 92 13.943 -1.929 6.327 1.00 0.00 C ATOM 1487 CG LYS A 92 14.805 -0.656 6.275 1.00 0.00 C ATOM 1488 CD LYS A 92 16.164 -0.974 5.623 1.00 0.00 C ATOM 1489 CE LYS A 92 17.023 0.299 5.579 1.00 0.00 C ATOM 1490 NZ LYS A 92 18.336 0.009 4.946 1.00 0.00 N ATOM 0 H LYS A 92 12.008 0.108 6.019 1.00 0.00 H new ATOM 0 HA LYS A 92 12.093 -2.613 7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.478 -2.714 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.768 -2.295 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.291 0.120 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.956 -0.266 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.677 -1.752 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.014 -1.359 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.505 1.077 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.174 0.680 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.909 0.877 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.834 -0.719 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.185 -0.334 3.976 1.00 0.00 H new ATOM 1504 N GLU A 93 12.866 -1.886 9.397 1.00 0.00 N ATOM 1505 CA GLU A 93 13.107 -1.448 10.757 1.00 0.00 C ATOM 1506 C GLU A 93 14.584 -1.135 10.933 1.00 0.00 C ATOM 1507 O GLU A 93 15.439 -1.853 10.405 1.00 0.00 O ATOM 1508 CB GLU A 93 12.732 -2.561 11.741 1.00 0.00 C ATOM 1509 CG GLU A 93 11.222 -2.847 11.683 1.00 0.00 C ATOM 1510 CD GLU A 93 10.858 -3.988 12.621 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.738 -4.494 13.287 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.707 -4.335 12.654 1.00 0.00 O ATOM 0 H GLU A 93 12.743 -2.894 9.297 1.00 0.00 H new ATOM 0 HA GLU A 93 12.503 -0.562 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.289 -3.467 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.014 -2.270 12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.666 -1.951 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.933 -3.101 10.663 1.00 0.00 H new ATOM 1519 N SER A 94 14.890 -0.156 11.770 1.00 0.00 N ATOM 1520 CA SER A 94 16.269 0.104 12.123 1.00 0.00 C ATOM 1521 C SER A 94 16.749 -1.008 13.051 1.00 0.00 C ATOM 1522 O SER A 94 17.203 -2.061 12.591 1.00 0.00 O ATOM 1523 CB SER A 94 16.395 1.467 12.808 1.00 0.00 C ATOM 1524 OG SER A 94 15.951 2.495 11.916 1.00 0.00 O ATOM 0 H SER A 94 14.209 0.462 12.211 1.00 0.00 H new ATOM 0 HA SER A 94 16.885 0.124 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.801 1.483 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.430 1.645 13.098 1.00 0.00 H new ATOM 0 HG SER A 94 16.031 3.367 12.356 1.00 0.00 H new ATOM 1604 N GLN A 99 9.124 2.829 14.091 1.00 0.00 N ATOM 1605 CA GLN A 99 8.767 3.174 12.718 1.00 0.00 C ATOM 1606 C GLN A 99 9.860 2.787 11.713 1.00 0.00 C ATOM 1607 O GLN A 99 10.935 3.399 11.690 1.00 0.00 O ATOM 1608 CB GLN A 99 8.475 4.676 12.625 1.00 0.00 C ATOM 1609 CG GLN A 99 7.272 5.033 13.518 1.00 0.00 C ATOM 1610 CD GLN A 99 6.087 5.488 12.669 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.325 6.368 13.077 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.885 4.950 11.510 1.00 0.00 N ATOM 0 HA GLN A 99 7.876 2.603 12.457 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.351 5.245 12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.266 4.951 11.591 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.987 4.167 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.552 5.823 14.215 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.513 4.222 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.098 5.254 10.937 1.00 0.00 H new ATOM 1621 N PRO A 100 9.584 1.821 10.866 1.00 0.00 N ATOM 1622 CA PRO A 100 10.528 1.376 9.791 1.00 0.00 C ATOM 1623 C PRO A 100 10.664 2.395 8.656 1.00 0.00 C ATOM 1624 O PRO A 100 9.743 3.172 8.393 1.00 0.00 O ATOM 1625 CB PRO A 100 9.899 0.075 9.294 1.00 0.00 C ATOM 1626 CG PRO A 100 8.434 0.288 9.474 1.00 0.00 C ATOM 1627 CD PRO A 100 8.284 1.120 10.756 1.00 0.00 C ATOM 0 HA PRO A 100 11.545 1.257 10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.149 -0.115 8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.251 -0.783 9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.007 0.810 8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.909 -0.663 9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.454 1.823 10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.093 0.489 11.624 1.00 0.00 H new ATOM 1635 N ASP A 101 11.799 2.357 7.961 1.00 0.00 N ATOM 1636 CA ASP A 101 12.062 3.256 6.829 1.00 0.00 C ATOM 1637 C ASP A 101 11.320 2.773 5.593 1.00 0.00 C ATOM 1638 O ASP A 101 11.525 1.637 5.166 1.00 0.00 O ATOM 1639 CB ASP A 101 13.560 3.275 6.508 1.00 0.00 C ATOM 1640 CG ASP A 101 13.878 4.423 5.574 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.533 5.540 5.893 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.477 4.182 4.556 1.00 0.00 O ATOM 0 H ASP A 101 12.560 1.708 8.161 1.00 0.00 H new ATOM 0 HA ASP A 101 11.724 4.255 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.136 3.375 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.853 2.331 6.049 1.00 0.00 H new ATOM 1647 N PHE A 102 10.461 3.622 5.025 1.00 0.00 N ATOM 1648 CA PHE A 102 9.684 3.236 3.844 1.00 0.00 C ATOM 1649 C PHE A 102 10.591 3.086 2.637 1.00 0.00 C ATOM 1650 O PHE A 102 10.906 4.063 1.959 1.00 0.00 O ATOM 1651 CB PHE A 102 8.642 4.312 3.547 1.00 0.00 C ATOM 1652 CG PHE A 102 7.678 4.400 4.695 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.731 3.397 4.878 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.733 5.483 5.573 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.835 3.470 5.938 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.834 5.558 6.638 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.885 4.550 6.819 1.00 0.00 C ATOM 0 H PHE A 102 10.286 4.570 5.358 1.00 0.00 H new ATOM 0 HA PHE A 102 9.195 2.283 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.130 5.274 3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.109 4.074 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.692 2.561 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.469 6.261 5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.101 2.691 6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.872 6.394 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.189 4.607 7.643 1.00 0.00 H new ATOM 1667 N ILE A 103 10.987 1.864 2.361 1.00 0.00 N ATOM 1668 CA ILE A 103 11.830 1.586 1.218 1.00 0.00 C ATOM 1669 C ILE A 103 11.076 1.752 -0.094 1.00 0.00 C ATOM 1670 O ILE A 103 11.574 2.365 -1.020 1.00 0.00 O ATOM 1671 CB ILE A 103 12.412 0.175 1.328 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.371 0.130 2.520 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.180 -0.173 0.052 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.779 -1.308 2.792 1.00 0.00 C ATOM 0 H ILE A 103 10.738 1.044 2.914 1.00 0.00 H new ATOM 0 HA ILE A 103 12.644 2.311 1.218 1.00 0.00 H new ATOM 0 HB ILE A 103 11.604 -0.543 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.253 0.736 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.892 0.556 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.591 -1.179 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.505 -0.129 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.992 0.540 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.462 -1.338 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.893 -1.901 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.275 -1.718 1.912 1.00 0.00 H new ATOM 1686 N ASN A 104 9.874 1.191 -0.160 1.00 0.00 N ATOM 1687 CA ASN A 104 9.063 1.211 -1.379 1.00 0.00 C ATOM 1688 C ASN A 104 7.607 1.353 -1.021 1.00 0.00 C ATOM 1689 O ASN A 104 7.173 0.847 0.024 1.00 0.00 O ATOM 1690 CB ASN A 104 9.230 -0.101 -2.150 1.00 0.00 C ATOM 1691 CG ASN A 104 8.662 0.042 -3.572 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.906 0.963 -3.860 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.990 -0.809 -4.477 1.00 0.00 N ATOM 0 H ASN A 104 9.433 0.711 0.624 1.00 0.00 H new ATOM 0 HA ASN A 104 9.392 2.051 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.285 -0.371 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.717 -0.907 -1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.622 -0.714 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.618 -1.579 -4.249 1.00 0.00 H new ATOM 1700 N MET A 105 6.830 1.940 -1.906 1.00 0.00 N ATOM 1701 CA MET A 105 5.394 2.042 -1.701 1.00 0.00 C ATOM 1702 C MET A 105 4.685 2.487 -2.973 1.00 0.00 C ATOM 1703 O MET A 105 5.011 3.541 -3.550 1.00 0.00 O ATOM 1704 CB MET A 105 5.070 2.945 -0.473 1.00 0.00 C ATOM 1705 CG MET A 105 4.272 4.195 -0.869 1.00 0.00 C ATOM 1706 SD MET A 105 2.587 3.728 -1.341 1.00 0.00 S ATOM 1707 CE MET A 105 1.985 3.344 0.324 1.00 0.00 C ATOM 0 H MET A 105 7.165 2.355 -2.776 1.00 0.00 H new ATOM 0 HA MET A 105 5.006 1.051 -1.468 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.503 2.370 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.000 3.247 0.010 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.244 4.898 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.764 4.703 -1.699 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.895 3.358 0.329 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.337 2.355 0.619 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.360 4.088 1.027 1.00 0.00 H new ATOM 1717 N TYR A 106 3.728 1.683 -3.424 1.00 0.00 N ATOM 1718 CA TYR A 106 2.997 1.994 -4.642 1.00 0.00 C ATOM 1719 C TYR A 106 1.549 1.553 -4.564 1.00 0.00 C ATOM 1720 O TYR A 106 1.183 0.695 -3.746 1.00 0.00 O ATOM 1721 CB TYR A 106 3.677 1.384 -5.877 1.00 0.00 C ATOM 1722 CG TYR A 106 3.730 -0.121 -5.783 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.814 -0.742 -5.157 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.701 -0.895 -6.335 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.870 -2.131 -5.084 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.759 -2.285 -6.261 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.845 -2.903 -5.635 1.00 0.00 C ATOM 1728 OH TYR A 106 3.905 -4.276 -5.559 1.00 0.00 O ATOM 0 H TYR A 106 3.443 0.817 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 106 3.009 3.079 -4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.134 1.676 -6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.688 1.781 -5.972 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.607 -0.145 -4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.863 -0.414 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.707 -2.612 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.967 -2.883 -6.686 1.00 0.00 H new ATOM 0 HH TYR A 106 3.114 -4.662 -5.989 1.00 0.00 H new ATOM 1738 N VAL A 107 0.737 2.131 -5.431 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.670 1.814 -5.505 1.00 0.00 C ATOM 1740 C VAL A 107 -0.965 1.168 -6.852 1.00 0.00 C ATOM 1741 O VAL A 107 -0.711 1.763 -7.907 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.479 3.114 -5.346 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.961 2.885 -5.658 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.331 3.636 -3.920 1.00 0.00 C ATOM 0 H VAL A 107 1.040 2.835 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.947 1.119 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.091 3.848 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.507 3.821 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.067 2.533 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.365 2.138 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.904 4.556 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.703 2.889 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.280 3.836 -3.713 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.512 -0.035 -6.808 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.853 -0.787 -8.005 1.00 0.00 C ATOM 1756 C ASP A 108 -3.335 -0.639 -8.303 1.00 0.00 C ATOM 1757 O ASP A 108 -4.184 -1.150 -7.551 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.479 -2.274 -7.822 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.471 -3.020 -9.153 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.069 -2.537 -10.096 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -0.848 -4.062 -9.216 1.00 0.00 O ATOM 0 H ASP A 108 -1.733 -0.520 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.288 -0.392 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.496 -2.348 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.189 -2.747 -7.143 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.648 0.089 -9.364 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.029 0.344 -9.746 1.00 0.00 C ATOM 1768 C VAL A 109 -5.342 -0.327 -11.081 1.00 0.00 C ATOM 1769 O VAL A 109 -4.602 -0.153 -12.051 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.271 1.858 -9.854 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.776 2.150 -9.887 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.642 2.567 -8.649 1.00 0.00 C ATOM 0 H VAL A 109 -2.958 0.517 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.686 -0.071 -8.982 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.815 2.224 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.936 3.225 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.224 1.654 -10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.239 1.778 -8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.815 3.640 -8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.094 2.193 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.570 2.372 -8.631 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.401 -1.091 -11.142 1.00 0.00 N ATOM 1783 CA PRO A 110 -6.784 -1.795 -12.399 1.00 0.00 C ATOM 1784 C PRO A 110 -7.184 -0.808 -13.495 1.00 0.00 C ATOM 1785 O PRO A 110 -7.804 0.227 -13.222 1.00 0.00 O ATOM 1786 CB PRO A 110 -7.973 -2.661 -11.977 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.571 -1.931 -10.821 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.399 -1.305 -10.076 1.00 0.00 C ATOM 0 HA PRO A 110 -5.963 -2.375 -12.821 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.690 -2.774 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.653 -3.663 -11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.272 -1.168 -11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.128 -2.610 -10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.681 -0.369 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.020 -1.964 -9.295 1.00 0.00 H new ATOM 1796 N GLY A 111 -6.850 -1.133 -14.724 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.171 -0.272 -15.858 1.00 0.00 C ATOM 1798 C GLY A 111 -6.135 0.838 -16.007 1.00 0.00 C ATOM 1799 O GLY A 111 -5.732 1.175 -17.122 1.00 0.00 O ATOM 0 H GLY A 111 -6.354 -1.989 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.208 -0.865 -16.772 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.160 0.164 -15.720 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.633 1.327 -14.887 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.602 2.358 -14.883 1.00 0.00 C ATOM 1805 C GLU A 112 -3.252 1.732 -14.566 1.00 0.00 C ATOM 1806 O GLU A 112 -3.184 0.571 -14.169 1.00 0.00 O ATOM 1807 CB GLU A 112 -4.920 3.412 -13.816 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.254 4.105 -14.130 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.174 4.855 -15.444 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -5.267 5.645 -15.605 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.024 4.634 -16.277 1.00 0.00 O ATOM 0 H GLU A 112 -5.924 1.025 -13.957 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.572 2.828 -15.866 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.970 2.941 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.120 4.151 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.052 3.364 -14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.508 4.796 -13.326 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.191 2.516 -14.666 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.879 2.052 -14.238 1.00 0.00 C ATOM 1820 C LYS A 113 -0.793 2.171 -12.732 1.00 0.00 C ATOM 1821 O LYS A 113 -1.369 3.099 -12.152 1.00 0.00 O ATOM 1822 CB LYS A 113 0.239 2.894 -14.855 1.00 0.00 C ATOM 1823 CG LYS A 113 0.677 2.281 -16.184 1.00 0.00 C ATOM 1824 CD LYS A 113 -0.392 2.496 -17.244 1.00 0.00 C ATOM 1825 CE LYS A 113 0.027 1.776 -18.522 1.00 0.00 C ATOM 1826 NZ LYS A 113 1.269 2.393 -19.064 1.00 0.00 N ATOM 0 H LYS A 113 -2.210 3.467 -15.035 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.755 1.019 -14.563 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.107 3.916 -15.012 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.087 2.946 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.615 2.731 -16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.863 1.215 -16.056 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.352 2.115 -16.894 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.523 3.561 -17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.195 0.719 -18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.772 1.834 -19.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 1.393 2.109 -20.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.196 3.429 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 2.087 2.072 -18.508 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.027 1.306 -12.102 1.00 0.00 N ATOM 1841 CA ARG A 114 0.160 1.423 -10.672 1.00 0.00 C ATOM 1842 C ARG A 114 1.030 2.624 -10.371 1.00 0.00 C ATOM 1843 O ARG A 114 2.017 2.882 -11.071 1.00 0.00 O ATOM 1844 CB ARG A 114 0.766 0.151 -10.075 1.00 0.00 C ATOM 1845 CG ARG A 114 2.094 -0.176 -10.751 1.00 0.00 C ATOM 1846 CD ARG A 114 1.984 -1.521 -11.460 1.00 0.00 C ATOM 1847 NE ARG A 114 1.436 -2.531 -10.558 1.00 0.00 N ATOM 1848 CZ ARG A 114 2.166 -3.169 -9.642 1.00 0.00 C ATOM 1849 NH1 ARG A 114 3.439 -2.877 -9.470 1.00 0.00 N ATOM 1850 NH2 ARG A 114 1.592 -4.061 -8.895 1.00 0.00 N ATOM 0 H ARG A 114 0.466 0.531 -12.545 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.817 1.560 -10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.919 0.282 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.073 -0.682 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.352 0.605 -11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.893 -0.207 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.346 -1.425 -12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.967 -1.834 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 114 0.445 -2.760 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.878 -2.155 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.985 -3.373 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 114 0.599 -4.264 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.133 -4.560 -8.189 1.00 0.00 H new ATOM 1864 N TYR A 115 0.663 3.367 -9.355 1.00 0.00 N ATOM 1865 CA TYR A 115 1.399 4.559 -8.984 1.00 0.00 C ATOM 1866 C TYR A 115 2.368 4.242 -7.875 1.00 0.00 C ATOM 1867 O TYR A 115 1.964 3.755 -6.817 1.00 0.00 O ATOM 1868 CB TYR A 115 0.429 5.652 -8.533 1.00 0.00 C ATOM 1869 CG TYR A 115 1.191 6.882 -8.095 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.716 7.765 -9.047 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.372 7.139 -6.733 1.00 0.00 C ATOM 1872 CE1 TYR A 115 2.418 8.902 -8.632 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.070 8.276 -6.324 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.592 9.155 -7.271 1.00 0.00 C ATOM 1875 OH TYR A 115 3.291 10.268 -6.861 1.00 0.00 O ATOM 0 H TYR A 115 -0.145 3.169 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 115 1.957 4.915 -9.850 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.248 5.906 -9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.186 5.285 -7.711 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.579 7.569 -10.100 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.972 6.457 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.825 9.583 -9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.206 8.475 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 115 3.318 10.295 -5.882 1.00 0.00 H new ATOM 1885 N TYR A 116 3.630 4.570 -8.086 1.00 0.00 N ATOM 1886 CA TYR A 116 4.629 4.346 -7.060 1.00 0.00 C ATOM 1887 C TYR A 116 4.830 5.616 -6.264 1.00 0.00 C ATOM 1888 O TYR A 116 5.560 6.522 -6.675 1.00 0.00 O ATOM 1889 CB TYR A 116 5.952 3.879 -7.685 1.00 0.00 C ATOM 1890 CG TYR A 116 5.789 2.476 -8.254 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.033 2.279 -9.410 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.408 1.378 -7.636 1.00 0.00 C ATOM 1893 CE1 TYR A 116 4.889 1.004 -9.950 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.259 0.094 -8.181 1.00 0.00 C ATOM 1895 CZ TYR A 116 5.496 -0.090 -9.341 1.00 0.00 C ATOM 1896 OH TYR A 116 5.343 -1.353 -9.888 1.00 0.00 O ATOM 0 H TYR A 116 3.983 4.987 -8.947 1.00 0.00 H new ATOM 0 HA TYR A 116 4.282 3.560 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.255 4.568 -8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.742 3.887 -6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.556 3.121 -9.889 1.00 0.00 H new ATOM 0 HD2 TYR A 116 6.998 1.522 -6.743 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.303 0.863 -10.846 1.00 0.00 H new ATOM 0 HE2 TYR A 116 6.733 -0.753 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 116 5.830 -2.006 -9.344 1.00 0.00 H new ATOM 1906 N LEU A 117 4.170 5.671 -5.123 1.00 0.00 N ATOM 1907 CA LEU A 117 4.252 6.799 -4.213 1.00 0.00 C ATOM 1908 C LEU A 117 5.660 6.941 -3.669 1.00 0.00 C ATOM 1909 O LEU A 117 6.204 8.047 -3.600 1.00 0.00 O ATOM 1910 CB LEU A 117 3.224 6.634 -3.089 1.00 0.00 C ATOM 1911 CG LEU A 117 3.303 7.785 -2.080 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.066 9.128 -2.773 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.228 7.583 -1.014 1.00 0.00 C ATOM 0 H LEU A 117 3.555 4.926 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 117 4.019 7.717 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.222 6.591 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.393 5.687 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 117 4.295 7.791 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.126 9.932 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.825 9.280 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.078 9.130 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.275 8.397 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.245 7.573 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.395 6.634 -0.504 1.00 0.00 H new ATOM 1925 N ILE A 118 6.258 5.818 -3.318 1.00 0.00 N ATOM 1926 CA ILE A 118 7.636 5.790 -2.864 1.00 0.00 C ATOM 1927 C ILE A 118 8.415 4.825 -3.737 1.00 0.00 C ATOM 1928 O ILE A 118 8.029 3.664 -3.869 1.00 0.00 O ATOM 1929 CB ILE A 118 7.705 5.334 -1.398 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.931 6.314 -0.510 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.171 5.287 -0.932 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.828 5.736 0.904 1.00 0.00 C ATOM 0 H ILE A 118 5.805 4.904 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 118 8.064 6.790 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 118 7.263 4.341 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.437 7.279 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.935 6.486 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.212 4.963 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.728 4.585 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.613 6.279 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.278 6.429 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.304 4.781 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.829 5.586 1.310 1.00 0.00 H new ATOM 1944 N LYS A 119 9.513 5.284 -4.314 1.00 0.00 N ATOM 1945 CA LYS A 119 10.333 4.404 -5.133 1.00 0.00 C ATOM 1946 C LYS A 119 11.329 3.664 -4.260 1.00 0.00 C ATOM 1947 O LYS A 119 11.944 4.257 -3.379 1.00 0.00 O ATOM 1948 CB LYS A 119 11.086 5.186 -6.227 1.00 0.00 C ATOM 1949 CG LYS A 119 10.192 6.277 -6.831 1.00 0.00 C ATOM 1950 CD LYS A 119 8.908 5.660 -7.417 1.00 0.00 C ATOM 1951 CE LYS A 119 8.291 6.606 -8.464 1.00 0.00 C ATOM 1952 NZ LYS A 119 8.649 8.018 -8.157 1.00 0.00 N ATOM 0 H LYS A 119 9.854 6.242 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 119 9.669 3.691 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.984 5.638 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.412 4.502 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.934 7.009 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.735 6.810 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.135 4.698 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.190 5.471 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.648 6.341 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.207 6.492 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.972 8.657 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.618 8.168 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.608 8.217 -8.507 1.00 0.00 H new ATOM 1966 N PRO A 120 11.554 2.412 -4.536 1.00 0.00 N ATOM 1967 CA PRO A 120 12.553 1.611 -3.787 1.00 0.00 C ATOM 1968 C PRO A 120 13.970 2.078 -4.044 1.00 0.00 C ATOM 1969 O PRO A 120 14.211 2.884 -4.956 1.00 0.00 O ATOM 1970 CB PRO A 120 12.333 0.187 -4.262 1.00 0.00 C ATOM 1971 CG PRO A 120 11.696 0.315 -5.600 1.00 0.00 C ATOM 1972 CD PRO A 120 10.894 1.613 -5.582 1.00 0.00 C ATOM 0 HA PRO A 120 12.425 1.709 -2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.276 -0.357 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.693 -0.363 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.450 0.337 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.048 -0.538 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.923 2.116 -6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.845 1.433 -5.347 1.00 0.00 H new ATOM 1980 N LYS A 121 14.883 1.675 -3.176 1.00 0.00 N ATOM 1981 CA LYS A 121 16.262 2.132 -3.248 1.00 0.00 C ATOM 1982 C LYS A 121 16.907 1.646 -4.517 1.00 0.00 C ATOM 1983 O LYS A 121 17.834 0.830 -4.495 1.00 0.00 O ATOM 1984 CB LYS A 121 17.062 1.662 -2.026 1.00 0.00 C ATOM 1985 CG LYS A 121 16.192 1.728 -0.760 1.00 0.00 C ATOM 1986 CD LYS A 121 15.292 2.978 -0.787 1.00 0.00 C ATOM 1987 CE LYS A 121 15.048 3.483 0.640 1.00 0.00 C ATOM 1988 NZ LYS A 121 16.114 4.445 1.015 1.00 0.00 N ATOM 0 H LYS A 121 14.693 1.029 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 121 16.260 3.222 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.411 0.641 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.947 2.286 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.577 0.831 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.828 1.750 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.762 3.761 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.341 2.741 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.071 3.963 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.038 2.645 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.948 4.787 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.040 3.973 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 16.103 5.250 0.357 1.00 0.00 H new