USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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 96 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Set 1.2: A 98 SER OG : rot 121:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -122:sc= 0.0507 USER MOD Single : A 20 ASN :FLIP amide:sc= 0.235 F(o=-0.43,f=0.24) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 35 LYS NZ :NH3+ -98:sc=-0.00904 (180deg=-0.711) USER MOD Single : A 36 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.4) USER MOD Single : A 40 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.032) USER MOD Single : A 43 GLN :FLIP amide:sc= -4.54! C(o=-6.3!,f=-4.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -140:sc= -2.48 (180deg=-7.48!) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.026) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -111:sc= -0.123 USER MOD Single : A 63 THR OG1 : rot 88:sc= -0.392 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.815 X(o=-0.82,f=-0.63) USER MOD Single : A 74 ASN : amide:sc= -3.82! C(o=-3.8!,f=-8.8!) USER MOD Single : A 75 SER OG : rot 41:sc= 0.297 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 58:sc= 0.00937! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 31:sc= 0.209 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.089 X(o=-0.089,f=-0.0053) USER MOD Single : A 100 ASN : amide:sc=-0.00128 K(o=-0.0013,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.539 4.479 23.296 1.00 0.00 N ATOM 2 CA GLY A 1 -1.092 5.734 23.769 1.00 0.00 C ATOM 3 C GLY A 1 -0.257 6.358 24.869 1.00 0.00 C ATOM 4 O GLY A 1 0.313 7.434 24.690 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.146 4.093 22.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.417 4.641 22.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.491 3.802 24.084 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.168 6.431 22.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.104 5.566 24.137 1.00 0.00 H new ATOM 8 N SER A 2 -0.186 5.682 26.011 1.00 0.00 N ATOM 9 CA SER A 2 0.581 6.180 27.147 1.00 0.00 C ATOM 10 C SER A 2 1.573 5.129 27.635 1.00 0.00 C ATOM 11 O SER A 2 2.785 5.344 27.611 1.00 0.00 O ATOM 12 CB SER A 2 -0.358 6.580 28.288 1.00 0.00 C ATOM 13 OG SER A 2 -1.351 7.484 27.837 1.00 0.00 O ATOM 0 H SER A 2 -0.650 4.788 26.174 1.00 0.00 H new ATOM 0 HA SER A 2 1.139 7.058 26.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.833 5.690 28.702 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.217 7.038 29.093 1.00 0.00 H new ATOM 0 HG SER A 2 -1.939 7.723 28.584 1.00 0.00 H new ATOM 19 N SER A 3 1.049 3.990 28.078 1.00 0.00 N ATOM 20 CA SER A 3 1.887 2.906 28.576 1.00 0.00 C ATOM 21 C SER A 3 2.776 2.353 27.466 1.00 0.00 C ATOM 22 O SER A 3 3.973 2.142 27.660 1.00 0.00 O ATOM 23 CB SER A 3 1.020 1.786 29.155 1.00 0.00 C ATOM 24 OG SER A 3 0.137 1.267 28.175 1.00 0.00 O ATOM 0 H SER A 3 0.048 3.795 28.102 1.00 0.00 H new ATOM 0 HA SER A 3 2.525 3.306 29.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.657 0.987 29.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.447 2.166 30.001 1.00 0.00 H new ATOM 0 HG SER A 3 -0.405 0.552 28.569 1.00 0.00 H new ATOM 30 N GLY A 4 2.181 2.120 26.300 1.00 0.00 N ATOM 31 CA GLY A 4 2.932 1.594 25.175 1.00 0.00 C ATOM 32 C GLY A 4 3.496 0.214 25.450 1.00 0.00 C ATOM 33 O GLY A 4 4.292 0.033 26.371 1.00 0.00 O ATOM 0 H GLY A 4 1.192 2.286 26.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.285 1.551 24.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.748 2.276 24.936 1.00 0.00 H new ATOM 37 N SER A 5 3.083 -0.763 24.649 1.00 0.00 N ATOM 38 CA SER A 5 3.548 -2.135 24.813 1.00 0.00 C ATOM 39 C SER A 5 4.476 -2.535 23.671 1.00 0.00 C ATOM 40 O SER A 5 4.337 -2.053 22.546 1.00 0.00 O ATOM 41 CB SER A 5 2.358 -3.095 24.879 1.00 0.00 C ATOM 42 OG SER A 5 1.608 -2.897 26.065 1.00 0.00 O ATOM 0 H SER A 5 2.427 -0.630 23.880 1.00 0.00 H new ATOM 0 HA SER A 5 4.105 -2.194 25.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.717 -2.945 24.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.714 -4.124 24.838 1.00 0.00 H new ATOM 0 HG SER A 5 0.853 -3.521 26.082 1.00 0.00 H new ATOM 48 N SER A 6 5.423 -3.419 23.967 1.00 0.00 N ATOM 49 CA SER A 6 6.377 -3.882 22.966 1.00 0.00 C ATOM 50 C SER A 6 5.698 -4.068 21.613 1.00 0.00 C ATOM 51 O SER A 6 4.491 -4.291 21.537 1.00 0.00 O ATOM 52 CB SER A 6 7.019 -5.197 23.413 1.00 0.00 C ATOM 53 OG SER A 6 8.097 -4.963 24.302 1.00 0.00 O ATOM 0 H SER A 6 5.550 -3.829 24.892 1.00 0.00 H new ATOM 0 HA SER A 6 7.153 -3.124 22.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.271 -5.823 23.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.375 -5.746 22.541 1.00 0.00 H new ATOM 0 HG SER A 6 8.489 -5.819 24.574 1.00 0.00 H new ATOM 59 N GLY A 7 6.485 -3.973 20.545 1.00 0.00 N ATOM 60 CA GLY A 7 5.943 -4.133 19.208 1.00 0.00 C ATOM 61 C GLY A 7 7.021 -4.139 18.143 1.00 0.00 C ATOM 62 O GLY A 7 7.825 -3.211 18.059 1.00 0.00 O ATOM 0 H GLY A 7 7.487 -3.788 20.582 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.380 -5.065 19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.240 -3.325 19.005 1.00 0.00 H new ATOM 66 N ARG A 8 7.039 -5.188 17.328 1.00 0.00 N ATOM 67 CA ARG A 8 8.029 -5.313 16.264 1.00 0.00 C ATOM 68 C ARG A 8 7.575 -4.572 15.010 1.00 0.00 C ATOM 69 O ARG A 8 6.467 -4.785 14.518 1.00 0.00 O ATOM 70 CB ARG A 8 8.275 -6.787 15.938 1.00 0.00 C ATOM 71 CG ARG A 8 7.022 -7.535 15.516 1.00 0.00 C ATOM 72 CD ARG A 8 7.297 -9.018 15.322 1.00 0.00 C ATOM 73 NE ARG A 8 7.097 -9.777 16.554 1.00 0.00 N ATOM 74 CZ ARG A 8 7.673 -10.949 16.796 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.481 -11.494 15.897 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.442 -11.579 17.941 1.00 0.00 N ATOM 0 H ARG A 8 6.379 -5.964 17.384 1.00 0.00 H new ATOM 0 HA ARG A 8 8.960 -4.865 16.613 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.015 -6.855 15.140 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.703 -7.277 16.812 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.247 -7.403 16.271 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.639 -7.111 14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.641 -9.410 14.544 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.321 -9.154 14.974 1.00 0.00 H new ATOM 0 HE ARG A 8 6.482 -9.386 17.267 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.662 -11.013 15.016 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.922 -12.394 16.087 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.822 -11.163 18.636 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.885 -12.479 18.126 1.00 0.00 H new ATOM 90 N MET A 9 8.439 -3.702 14.497 1.00 0.00 N ATOM 91 CA MET A 9 8.126 -2.930 13.300 1.00 0.00 C ATOM 92 C MET A 9 8.445 -3.729 12.040 1.00 0.00 C ATOM 93 O MET A 9 9.450 -4.438 11.980 1.00 0.00 O ATOM 94 CB MET A 9 8.908 -1.615 13.296 1.00 0.00 C ATOM 95 CG MET A 9 8.991 -0.953 14.662 1.00 0.00 C ATOM 96 SD MET A 9 7.448 -1.076 15.587 1.00 0.00 S ATOM 97 CE MET A 9 6.375 -0.041 14.595 1.00 0.00 C ATOM 0 H MET A 9 9.361 -3.514 14.891 1.00 0.00 H new ATOM 0 HA MET A 9 7.059 -2.709 13.309 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.918 -1.803 12.931 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.439 -0.925 12.595 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.793 -1.415 15.237 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.253 0.098 14.537 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.380 -0.016 15.040 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.780 0.970 14.555 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.311 -0.446 13.585 1.00 0.00 H new ATOM 107 N LEU A 10 7.584 -3.609 11.036 1.00 0.00 N ATOM 108 CA LEU A 10 7.774 -4.321 9.776 1.00 0.00 C ATOM 109 C LEU A 10 8.060 -3.346 8.638 1.00 0.00 C ATOM 110 O LEU A 10 7.245 -2.474 8.336 1.00 0.00 O ATOM 111 CB LEU A 10 6.537 -5.158 9.448 1.00 0.00 C ATOM 112 CG LEU A 10 6.086 -6.141 10.529 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.764 -6.787 10.145 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.151 -7.201 10.764 1.00 0.00 C ATOM 0 H LEU A 10 6.748 -3.026 11.069 1.00 0.00 H new ATOM 0 HA LEU A 10 8.633 -4.983 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.711 -4.480 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.734 -5.719 8.534 1.00 0.00 H new ATOM 0 HG LEU A 10 5.941 -5.589 11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.459 -7.483 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.002 -6.016 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.882 -7.325 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.813 -7.892 11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.329 -7.750 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.076 -6.722 11.085 1.00 0.00 H new ATOM 126 N ASP A 11 9.219 -3.502 8.009 1.00 0.00 N ATOM 127 CA ASP A 11 9.610 -2.638 6.901 1.00 0.00 C ATOM 128 C ASP A 11 9.001 -3.125 5.590 1.00 0.00 C ATOM 129 O ASP A 11 9.528 -4.033 4.948 1.00 0.00 O ATOM 130 CB ASP A 11 11.134 -2.586 6.781 1.00 0.00 C ATOM 131 CG ASP A 11 11.592 -1.849 5.538 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.383 -2.376 4.425 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.160 -0.745 5.678 1.00 0.00 O ATOM 0 H ASP A 11 9.905 -4.219 8.247 1.00 0.00 H new ATOM 0 HA ASP A 11 9.234 -1.635 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.549 -2.098 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.529 -3.602 6.764 1.00 0.00 H new ATOM 138 N PHE A 12 7.886 -2.516 5.200 1.00 0.00 N ATOM 139 CA PHE A 12 7.202 -2.889 3.967 1.00 0.00 C ATOM 140 C PHE A 12 7.572 -1.939 2.832 1.00 0.00 C ATOM 141 O PHE A 12 7.114 -0.796 2.791 1.00 0.00 O ATOM 142 CB PHE A 12 5.687 -2.886 4.178 1.00 0.00 C ATOM 143 CG PHE A 12 5.185 -4.076 4.944 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.012 -5.298 4.315 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.887 -3.973 6.293 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.551 -6.396 5.017 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.427 -5.067 7.000 1.00 0.00 C ATOM 148 CZ PHE A 12 4.257 -6.280 6.361 1.00 0.00 C ATOM 0 H PHE A 12 7.437 -1.762 5.720 1.00 0.00 H new ATOM 0 HA PHE A 12 7.521 -3.895 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.404 -1.977 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.193 -2.855 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.240 -5.394 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.016 -3.027 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.421 -7.343 4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.200 -4.974 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.895 -7.136 6.912 1.00 0.00 H new ATOM 158 N ARG A 13 8.402 -2.419 1.913 1.00 0.00 N ATOM 159 CA ARG A 13 8.835 -1.613 0.778 1.00 0.00 C ATOM 160 C ARG A 13 7.847 -1.727 -0.379 1.00 0.00 C ATOM 161 O ARG A 13 7.741 -2.774 -1.018 1.00 0.00 O ATOM 162 CB ARG A 13 10.228 -2.047 0.318 1.00 0.00 C ATOM 163 CG ARG A 13 10.918 -1.031 -0.577 1.00 0.00 C ATOM 164 CD ARG A 13 11.888 -1.701 -1.538 1.00 0.00 C ATOM 165 NE ARG A 13 13.011 -0.832 -1.878 1.00 0.00 N ATOM 166 CZ ARG A 13 13.912 -1.126 -2.808 1.00 0.00 C ATOM 167 NH1 ARG A 13 13.822 -2.261 -3.488 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.906 -0.284 -3.061 1.00 0.00 N ATOM 0 H ARG A 13 8.789 -3.363 1.932 1.00 0.00 H new ATOM 0 HA ARG A 13 8.874 -0.572 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.850 -2.229 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.146 -2.993 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.170 -0.475 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.454 -0.308 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.264 -2.621 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.359 -1.983 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 13 13.109 0.049 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.059 -2.911 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.516 -2.484 -4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.979 0.590 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.597 -0.511 -3.776 1.00 0.00 H new ATOM 182 N VAL A 14 7.124 -0.643 -0.643 1.00 0.00 N ATOM 183 CA VAL A 14 6.145 -0.621 -1.723 1.00 0.00 C ATOM 184 C VAL A 14 6.766 -0.112 -3.018 1.00 0.00 C ATOM 185 O VAL A 14 6.916 1.094 -3.213 1.00 0.00 O ATOM 186 CB VAL A 14 4.934 0.261 -1.365 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.946 0.306 -2.520 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.262 -0.245 -0.097 1.00 0.00 C ATOM 0 H VAL A 14 7.198 0.232 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 14 5.808 -1.648 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 14 5.288 1.276 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.097 0.934 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.436 0.719 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.596 -0.703 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.409 0.390 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.921 -1.269 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.974 -0.219 0.728 1.00 0.00 H new ATOM 198 N GLU A 15 7.126 -1.039 -3.901 1.00 0.00 N ATOM 199 CA GLU A 15 7.731 -0.682 -5.178 1.00 0.00 C ATOM 200 C GLU A 15 6.672 -0.210 -6.170 1.00 0.00 C ATOM 201 O GLU A 15 5.919 -1.013 -6.720 1.00 0.00 O ATOM 202 CB GLU A 15 8.492 -1.877 -5.758 1.00 0.00 C ATOM 203 CG GLU A 15 9.532 -1.490 -6.796 1.00 0.00 C ATOM 204 CD GLU A 15 9.954 -2.661 -7.663 1.00 0.00 C ATOM 205 OE1 GLU A 15 9.099 -3.191 -8.402 1.00 0.00 O ATOM 206 OE2 GLU A 15 11.141 -3.045 -7.602 1.00 0.00 O ATOM 0 H GLU A 15 7.009 -2.042 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 15 8.430 0.136 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.983 -2.413 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.779 -2.567 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.131 -0.699 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.408 -1.081 -6.292 1.00 0.00 H new ATOM 213 N TYR A 16 6.620 1.099 -6.391 1.00 0.00 N ATOM 214 CA TYR A 16 5.651 1.680 -7.314 1.00 0.00 C ATOM 215 C TYR A 16 6.353 2.465 -8.417 1.00 0.00 C ATOM 216 O TYR A 16 7.348 3.148 -8.172 1.00 0.00 O ATOM 217 CB TYR A 16 4.682 2.593 -6.560 1.00 0.00 C ATOM 218 CG TYR A 16 3.740 3.353 -7.465 1.00 0.00 C ATOM 219 CD1 TYR A 16 3.167 2.744 -8.575 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.421 4.682 -7.210 1.00 0.00 C ATOM 221 CE1 TYR A 16 2.306 3.436 -9.405 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.560 5.380 -8.034 1.00 0.00 C ATOM 223 CZ TYR A 16 2.005 4.753 -9.130 1.00 0.00 C ATOM 224 OH TYR A 16 1.147 5.445 -9.953 1.00 0.00 O ATOM 0 H TYR A 16 7.237 1.778 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 16 5.090 0.866 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.098 1.992 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.255 3.305 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.399 1.712 -8.793 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.854 5.177 -6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.871 2.948 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.322 6.412 -7.821 1.00 0.00 H new ATOM 0 HH TYR A 16 1.599 6.242 -10.301 1.00 0.00 H new ATOM 234 N ARG A 17 5.827 2.362 -9.634 1.00 0.00 N ATOM 235 CA ARG A 17 6.403 3.062 -10.776 1.00 0.00 C ATOM 236 C ARG A 17 6.980 4.410 -10.354 1.00 0.00 C ATOM 237 O ARG A 17 8.184 4.643 -10.463 1.00 0.00 O ATOM 238 CB ARG A 17 5.345 3.265 -11.862 1.00 0.00 C ATOM 239 CG ARG A 17 4.720 1.970 -12.354 1.00 0.00 C ATOM 240 CD ARG A 17 3.620 2.233 -13.371 1.00 0.00 C ATOM 241 NE ARG A 17 2.314 2.388 -12.737 1.00 0.00 N ATOM 242 CZ ARG A 17 1.306 3.057 -13.285 1.00 0.00 C ATOM 243 NH1 ARG A 17 1.453 3.630 -14.471 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.146 3.154 -12.646 1.00 0.00 N ATOM 0 H ARG A 17 5.004 1.801 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 17 7.212 2.450 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.559 3.914 -11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.799 3.783 -12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.489 1.341 -12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.310 1.418 -11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.857 3.134 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.581 1.410 -14.084 1.00 0.00 H new ATOM 0 HE ARG A 17 2.168 1.959 -11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.342 3.558 -14.966 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.677 4.143 -14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.028 2.714 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.627 3.668 -13.068 1.00 0.00 H new ATOM 258 N ASP A 18 6.113 5.294 -9.873 1.00 0.00 N ATOM 259 CA ASP A 18 6.536 6.619 -9.434 1.00 0.00 C ATOM 260 C ASP A 18 7.833 6.538 -8.636 1.00 0.00 C ATOM 261 O ASP A 18 8.836 7.153 -8.999 1.00 0.00 O ATOM 262 CB ASP A 18 5.442 7.273 -8.589 1.00 0.00 C ATOM 263 CG ASP A 18 4.405 7.985 -9.434 1.00 0.00 C ATOM 264 OD1 ASP A 18 3.613 7.294 -10.108 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.385 9.234 -9.423 1.00 0.00 O ATOM 0 H ASP A 18 5.113 5.117 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 18 6.713 7.229 -10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.952 6.512 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.896 7.985 -7.900 1.00 0.00 H new ATOM 270 N ARG A 19 7.805 5.777 -7.547 1.00 0.00 N ATOM 271 CA ARG A 19 8.978 5.618 -6.695 1.00 0.00 C ATOM 272 C ARG A 19 8.713 4.601 -5.589 1.00 0.00 C ATOM 273 O ARG A 19 7.568 4.378 -5.199 1.00 0.00 O ATOM 274 CB ARG A 19 9.376 6.962 -6.083 1.00 0.00 C ATOM 275 CG ARG A 19 8.334 7.532 -5.135 1.00 0.00 C ATOM 276 CD ARG A 19 8.828 8.803 -4.463 1.00 0.00 C ATOM 277 NE ARG A 19 7.768 9.474 -3.714 1.00 0.00 N ATOM 278 CZ ARG A 19 7.348 9.077 -2.518 1.00 0.00 C ATOM 279 NH1 ARG A 19 7.897 8.019 -1.937 1.00 0.00 N ATOM 280 NH2 ARG A 19 6.379 9.740 -1.900 1.00 0.00 N ATOM 0 H ARG A 19 6.983 5.261 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 19 9.798 5.251 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.317 6.843 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.555 7.678 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.417 7.743 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.087 6.790 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.650 8.561 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.224 9.482 -5.218 1.00 0.00 H new ATOM 0 HE ARG A 19 7.326 10.292 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.643 7.508 -2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.573 7.716 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.956 10.555 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.057 9.434 -0.982 1.00 0.00 H new ATOM 294 N ASN A 20 9.781 3.988 -5.088 1.00 0.00 N ATOM 295 CA ASN A 20 9.664 2.994 -4.027 1.00 0.00 C ATOM 296 C ASN A 20 9.671 3.660 -2.655 1.00 0.00 C ATOM 297 O ASN A 20 10.625 4.348 -2.292 1.00 0.00 O ATOM 298 CB ASN A 20 10.806 1.980 -4.121 1.00 0.00 C ATOM 299 CG ASN A 20 12.097 2.608 -4.612 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.765 1.935 -5.541 1.00 0.00 O flip ATOM 301 ND2 ASN A 20 12.487 3.685 -4.161 1.00 0.00 N flip ATOM 0 H ASN A 20 10.737 4.162 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 20 8.715 2.474 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.972 1.532 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.518 1.174 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.940 4.167 -3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.357 4.095 -4.501 1.00 0.00 H new ATOM 308 N VAL A 21 8.601 3.449 -1.895 1.00 0.00 N ATOM 309 CA VAL A 21 8.484 4.027 -0.562 1.00 0.00 C ATOM 310 C VAL A 21 8.490 2.942 0.510 1.00 0.00 C ATOM 311 O VAL A 21 7.975 1.844 0.299 1.00 0.00 O ATOM 312 CB VAL A 21 7.197 4.862 -0.423 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.970 3.966 -0.479 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.222 5.667 0.868 1.00 0.00 C ATOM 0 H VAL A 21 7.803 2.882 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 21 9.348 4.677 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 21 7.145 5.560 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.071 4.574 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.948 3.439 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.011 3.242 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.305 6.251 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.298 4.989 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.081 6.338 0.862 1.00 0.00 H new ATOM 324 N ASP A 22 9.077 3.257 1.659 1.00 0.00 N ATOM 325 CA ASP A 22 9.150 2.310 2.765 1.00 0.00 C ATOM 326 C ASP A 22 8.081 2.612 3.811 1.00 0.00 C ATOM 327 O ASP A 22 7.929 3.754 4.247 1.00 0.00 O ATOM 328 CB ASP A 22 10.536 2.351 3.409 1.00 0.00 C ATOM 329 CG ASP A 22 10.534 1.807 4.825 1.00 0.00 C ATOM 330 OD1 ASP A 22 9.905 0.752 5.054 1.00 0.00 O ATOM 331 OD2 ASP A 22 11.161 2.436 5.702 1.00 0.00 O ATOM 0 H ASP A 22 9.509 4.161 1.849 1.00 0.00 H new ATOM 0 HA ASP A 22 8.972 1.311 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.233 1.773 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.899 3.379 3.418 1.00 0.00 H new ATOM 336 N VAL A 23 7.340 1.582 4.208 1.00 0.00 N ATOM 337 CA VAL A 23 6.285 1.738 5.202 1.00 0.00 C ATOM 338 C VAL A 23 6.609 0.961 6.473 1.00 0.00 C ATOM 339 O VAL A 23 7.150 -0.144 6.418 1.00 0.00 O ATOM 340 CB VAL A 23 4.925 1.263 4.656 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.852 1.368 5.729 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.538 2.064 3.423 1.00 0.00 C ATOM 0 H VAL A 23 7.451 0.631 3.856 1.00 0.00 H new ATOM 0 HA VAL A 23 6.224 2.801 5.435 1.00 0.00 H new ATOM 0 HB VAL A 23 5.014 0.216 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.899 1.028 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.127 0.746 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.760 2.405 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.575 1.715 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.466 3.120 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.295 1.931 2.651 1.00 0.00 H new ATOM 352 N VAL A 24 6.274 1.546 7.619 1.00 0.00 N ATOM 353 CA VAL A 24 6.528 0.908 8.906 1.00 0.00 C ATOM 354 C VAL A 24 5.274 0.903 9.773 1.00 0.00 C ATOM 355 O VAL A 24 4.714 1.955 10.080 1.00 0.00 O ATOM 356 CB VAL A 24 7.663 1.616 9.669 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.635 1.237 11.141 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.011 1.280 9.049 1.00 0.00 C ATOM 0 H VAL A 24 5.826 2.460 7.683 1.00 0.00 H new ATOM 0 HA VAL A 24 6.826 -0.119 8.697 1.00 0.00 H new ATOM 0 HB VAL A 24 7.512 2.693 9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.444 1.747 11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.680 1.533 11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.761 0.159 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.802 1.789 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.173 0.203 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.025 1.607 8.009 1.00 0.00 H new ATOM 368 N LEU A 25 4.838 -0.290 10.165 1.00 0.00 N ATOM 369 CA LEU A 25 3.650 -0.434 10.998 1.00 0.00 C ATOM 370 C LEU A 25 3.724 -1.704 11.839 1.00 0.00 C ATOM 371 O LEU A 25 4.097 -2.767 11.342 1.00 0.00 O ATOM 372 CB LEU A 25 2.392 -0.457 10.128 1.00 0.00 C ATOM 373 CG LEU A 25 2.083 -1.783 9.432 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.724 -1.724 8.752 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.171 -2.123 8.424 1.00 0.00 C ATOM 0 H LEU A 25 5.290 -1.171 9.919 1.00 0.00 H new ATOM 0 HA LEU A 25 3.603 0.422 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.539 -0.189 10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.487 0.317 9.366 1.00 0.00 H new ATOM 0 HG LEU A 25 2.056 -2.570 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.521 -2.676 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.047 -1.527 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.723 -0.926 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.934 -3.070 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.230 -1.335 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.129 -2.208 8.937 1.00 0.00 H new ATOM 387 N GLU A 26 3.366 -1.587 13.113 1.00 0.00 N ATOM 388 CA GLU A 26 3.391 -2.728 14.021 1.00 0.00 C ATOM 389 C GLU A 26 2.550 -3.877 13.475 1.00 0.00 C ATOM 390 O GLU A 26 1.683 -3.676 12.623 1.00 0.00 O ATOM 391 CB GLU A 26 2.879 -2.319 15.404 1.00 0.00 C ATOM 392 CG GLU A 26 3.489 -3.121 16.541 1.00 0.00 C ATOM 393 CD GLU A 26 2.777 -2.897 17.861 1.00 0.00 C ATOM 394 OE1 GLU A 26 2.576 -1.722 18.234 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.421 -3.896 18.520 1.00 0.00 O ATOM 0 H GLU A 26 3.055 -0.714 13.540 1.00 0.00 H new ATOM 0 HA GLU A 26 4.423 -3.067 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.091 -1.262 15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.795 -2.435 15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.457 -4.181 16.291 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.539 -2.851 16.649 1.00 0.00 H new ATOM 402 N ASP A 27 2.811 -5.082 13.970 1.00 0.00 N ATOM 403 CA ASP A 27 2.079 -6.264 13.532 1.00 0.00 C ATOM 404 C ASP A 27 0.635 -6.222 14.024 1.00 0.00 C ATOM 405 O ASP A 27 -0.162 -7.110 13.722 1.00 0.00 O ATOM 406 CB ASP A 27 2.766 -7.533 14.040 1.00 0.00 C ATOM 407 CG ASP A 27 2.656 -7.689 15.544 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.610 -6.657 16.246 1.00 0.00 O ATOM 409 OD2 ASP A 27 2.616 -8.843 16.018 1.00 0.00 O ATOM 0 H ASP A 27 3.525 -5.266 14.675 1.00 0.00 H new ATOM 0 HA ASP A 27 2.073 -6.274 12.442 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.322 -8.402 13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.818 -7.512 13.756 1.00 0.00 H new ATOM 414 N THR A 28 0.305 -5.183 14.785 1.00 0.00 N ATOM 415 CA THR A 28 -1.042 -5.025 15.320 1.00 0.00 C ATOM 416 C THR A 28 -1.978 -4.414 14.284 1.00 0.00 C ATOM 417 O THR A 28 -3.168 -4.729 14.246 1.00 0.00 O ATOM 418 CB THR A 28 -1.044 -4.142 16.582 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.358 -2.912 16.321 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.382 -4.861 17.748 1.00 0.00 C ATOM 0 H THR A 28 0.952 -4.438 15.045 1.00 0.00 H new ATOM 0 HA THR A 28 -1.397 -6.022 15.582 1.00 0.00 H new ATOM 0 HB THR A 28 -2.080 -3.930 16.848 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.365 -2.356 17.128 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.396 -4.217 18.627 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.925 -5.781 17.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.650 -5.100 17.490 1.00 0.00 H new ATOM 428 N CYS A 29 -1.433 -3.540 13.445 1.00 0.00 N ATOM 429 CA CYS A 29 -2.221 -2.884 12.407 1.00 0.00 C ATOM 430 C CYS A 29 -2.764 -3.903 11.411 1.00 0.00 C ATOM 431 O CYS A 29 -2.185 -4.974 11.222 1.00 0.00 O ATOM 432 CB CYS A 29 -1.373 -1.841 11.677 1.00 0.00 C ATOM 433 SG CYS A 29 -1.221 -0.267 12.553 1.00 0.00 S ATOM 0 H CYS A 29 -0.450 -3.269 13.463 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.064 -2.386 12.886 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.376 -2.250 11.512 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.809 -1.657 10.695 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.484 0.547 11.857 1.00 0.00 H new ATOM 439 N THR A 30 -3.883 -3.565 10.777 1.00 0.00 N ATOM 440 CA THR A 30 -4.507 -4.451 9.802 1.00 0.00 C ATOM 441 C THR A 30 -3.874 -4.287 8.425 1.00 0.00 C ATOM 442 O THR A 30 -3.383 -3.212 8.081 1.00 0.00 O ATOM 443 CB THR A 30 -6.021 -4.190 9.694 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.272 -2.781 9.638 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.761 -4.795 10.877 1.00 0.00 C ATOM 0 H THR A 30 -4.376 -2.684 10.922 1.00 0.00 H new ATOM 0 HA THR A 30 -4.346 -5.470 10.153 1.00 0.00 H new ATOM 0 HB THR A 30 -6.384 -4.661 8.780 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.237 -2.623 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.828 -4.597 10.778 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.592 -5.872 10.900 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.394 -4.350 11.802 1.00 0.00 H new ATOM 453 N VAL A 31 -3.891 -5.359 7.640 1.00 0.00 N ATOM 454 CA VAL A 31 -3.320 -5.333 6.298 1.00 0.00 C ATOM 455 C VAL A 31 -3.910 -4.195 5.472 1.00 0.00 C ATOM 456 O VAL A 31 -3.306 -3.741 4.502 1.00 0.00 O ATOM 457 CB VAL A 31 -3.558 -6.664 5.561 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.744 -7.780 6.199 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.039 -7.011 5.552 1.00 0.00 C ATOM 0 H VAL A 31 -4.294 -6.256 7.910 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.247 -5.177 6.413 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.229 -6.551 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.925 -8.713 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.684 -7.532 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.040 -7.895 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.188 -7.954 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.397 -7.106 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.595 -6.222 5.045 1.00 0.00 H new ATOM 469 N GLY A 32 -5.095 -3.738 5.866 1.00 0.00 N ATOM 470 CA GLY A 32 -5.747 -2.656 5.151 1.00 0.00 C ATOM 471 C GLY A 32 -5.025 -1.334 5.315 1.00 0.00 C ATOM 472 O GLY A 32 -5.017 -0.507 4.404 1.00 0.00 O ATOM 0 H GLY A 32 -5.615 -4.097 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.803 -2.907 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.771 -2.554 5.509 1.00 0.00 H new ATOM 476 N GLU A 33 -4.416 -1.134 6.480 1.00 0.00 N ATOM 477 CA GLU A 33 -3.690 0.098 6.760 1.00 0.00 C ATOM 478 C GLU A 33 -2.693 0.408 5.646 1.00 0.00 C ATOM 479 O GLU A 33 -2.792 1.438 4.979 1.00 0.00 O ATOM 480 CB GLU A 33 -2.958 -0.008 8.099 1.00 0.00 C ATOM 481 CG GLU A 33 -3.791 0.446 9.286 1.00 0.00 C ATOM 482 CD GLU A 33 -4.304 1.865 9.130 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.527 2.807 9.393 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.480 2.032 8.747 1.00 0.00 O ATOM 0 H GLU A 33 -4.411 -1.810 7.244 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.414 0.911 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.652 -1.042 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.048 0.590 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.637 -0.230 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.191 0.378 10.193 1.00 0.00 H new ATOM 491 N ILE A 34 -1.734 -0.492 5.452 1.00 0.00 N ATOM 492 CA ILE A 34 -0.721 -0.316 4.420 1.00 0.00 C ATOM 493 C ILE A 34 -1.302 0.375 3.191 1.00 0.00 C ATOM 494 O ILE A 34 -0.651 1.218 2.572 1.00 0.00 O ATOM 495 CB ILE A 34 -0.109 -1.664 3.996 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.308 -2.469 5.228 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.082 -1.439 3.075 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.125 -3.699 4.898 1.00 0.00 C ATOM 0 H ILE A 34 -1.638 -1.349 5.996 1.00 0.00 H new ATOM 0 HA ILE A 34 0.061 0.310 4.850 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.862 -2.233 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.885 -1.827 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.586 -2.772 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.504 -2.401 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.757 -0.901 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.839 -0.854 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.385 -4.221 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.543 -4.362 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.036 -3.402 4.379 1.00 0.00 H new ATOM 510 N LYS A 35 -2.532 0.014 2.842 1.00 0.00 N ATOM 511 CA LYS A 35 -3.204 0.600 1.689 1.00 0.00 C ATOM 512 C LYS A 35 -3.401 2.100 1.878 1.00 0.00 C ATOM 513 O LYS A 35 -2.834 2.907 1.142 1.00 0.00 O ATOM 514 CB LYS A 35 -4.557 -0.078 1.462 1.00 0.00 C ATOM 515 CG LYS A 35 -4.463 -1.587 1.310 1.00 0.00 C ATOM 516 CD LYS A 35 -5.783 -2.184 0.850 1.00 0.00 C ATOM 517 CE LYS A 35 -5.876 -2.227 -0.667 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.283 -2.105 -1.140 1.00 0.00 N ATOM 0 H LYS A 35 -3.084 -0.683 3.342 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.574 0.442 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.215 0.154 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.018 0.341 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.681 -1.833 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.173 -2.032 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.887 -3.192 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.609 -1.595 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.279 -1.419 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.450 -3.162 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.663 -3.051 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.860 -1.654 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.310 -1.525 -2.003 1.00 0.00 H new ATOM 532 N GLN A 36 -4.207 2.466 2.870 1.00 0.00 N ATOM 533 CA GLN A 36 -4.477 3.870 3.156 1.00 0.00 C ATOM 534 C GLN A 36 -3.180 4.638 3.387 1.00 0.00 C ATOM 535 O GLN A 36 -3.056 5.798 2.994 1.00 0.00 O ATOM 536 CB GLN A 36 -5.385 3.998 4.380 1.00 0.00 C ATOM 537 CG GLN A 36 -5.936 5.400 4.586 1.00 0.00 C ATOM 538 CD GLN A 36 -6.877 5.826 3.477 1.00 0.00 C ATOM 539 OE1 GLN A 36 -6.518 6.632 2.618 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.089 5.285 3.488 1.00 0.00 N ATOM 0 H GLN A 36 -4.684 1.810 3.489 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.983 4.300 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.217 3.301 4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.827 3.702 5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.462 5.443 5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.108 6.106 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.345 4.621 4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.765 5.533 2.765 1.00 0.00 H new ATOM 549 N ILE A 37 -2.218 3.984 4.029 1.00 0.00 N ATOM 550 CA ILE A 37 -0.930 4.605 4.312 1.00 0.00 C ATOM 551 C ILE A 37 -0.277 5.123 3.035 1.00 0.00 C ATOM 552 O ILE A 37 0.215 6.252 2.990 1.00 0.00 O ATOM 553 CB ILE A 37 0.031 3.620 5.003 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.433 3.341 6.434 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.449 4.171 4.998 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.304 2.198 7.096 1.00 0.00 C ATOM 0 H ILE A 37 -2.306 3.024 4.363 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.124 5.441 4.983 1.00 0.00 H new ATOM 0 HB ILE A 37 0.026 2.681 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.301 4.243 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.500 3.118 6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.116 3.463 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.776 4.324 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.472 5.122 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.077 2.057 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.152 1.285 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.369 2.427 7.138 1.00 0.00 H new ATOM 568 N LEU A 38 -0.277 4.293 1.998 1.00 0.00 N ATOM 569 CA LEU A 38 0.314 4.667 0.718 1.00 0.00 C ATOM 570 C LEU A 38 -0.320 5.945 0.178 1.00 0.00 C ATOM 571 O LEU A 38 0.300 6.679 -0.590 1.00 0.00 O ATOM 572 CB LEU A 38 0.145 3.533 -0.295 1.00 0.00 C ATOM 573 CG LEU A 38 1.021 2.300 -0.074 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.522 1.133 -0.912 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.474 2.611 -0.403 1.00 0.00 C ATOM 0 H LEU A 38 -0.680 3.356 2.018 1.00 0.00 H new ATOM 0 HA LEU A 38 1.377 4.849 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.899 3.219 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.352 3.927 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 38 0.959 2.019 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.158 0.264 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.503 0.894 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.553 1.404 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.082 1.721 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.553 2.918 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.828 3.416 0.241 1.00 0.00 H new ATOM 587 N GLU A 39 -1.558 6.204 0.588 1.00 0.00 N ATOM 588 CA GLU A 39 -2.274 7.395 0.147 1.00 0.00 C ATOM 589 C GLU A 39 -1.765 8.637 0.873 1.00 0.00 C ATOM 590 O GLU A 39 -2.042 9.764 0.465 1.00 0.00 O ATOM 591 CB GLU A 39 -3.777 7.231 0.385 1.00 0.00 C ATOM 592 CG GLU A 39 -4.602 8.412 -0.097 1.00 0.00 C ATOM 593 CD GLU A 39 -6.074 8.272 0.241 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.642 7.191 -0.023 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.657 9.242 0.768 1.00 0.00 O ATOM 0 H GLU A 39 -2.085 5.606 1.224 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.094 7.521 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.120 6.328 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.954 7.086 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.216 9.327 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.489 8.513 -1.176 1.00 0.00 H new ATOM 602 N ASN A 40 -1.021 8.420 1.953 1.00 0.00 N ATOM 603 CA ASN A 40 -0.475 9.522 2.737 1.00 0.00 C ATOM 604 C ASN A 40 0.948 9.851 2.295 1.00 0.00 C ATOM 605 O ASN A 40 1.538 10.831 2.749 1.00 0.00 O ATOM 606 CB ASN A 40 -0.489 9.171 4.226 1.00 0.00 C ATOM 607 CG ASN A 40 -1.896 9.076 4.784 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.431 10.048 5.318 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.502 7.900 4.664 1.00 0.00 N ATOM 0 H ASN A 40 -0.783 7.493 2.305 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.101 10.399 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.024 8.221 4.378 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.068 9.926 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.449 7.775 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.020 7.122 4.214 1.00 0.00 H new ATOM 616 N GLU A 41 1.491 9.027 1.405 1.00 0.00 N ATOM 617 CA GLU A 41 2.844 9.231 0.901 1.00 0.00 C ATOM 618 C GLU A 41 2.837 9.431 -0.612 1.00 0.00 C ATOM 619 O GLU A 41 3.635 10.199 -1.152 1.00 0.00 O ATOM 620 CB GLU A 41 3.733 8.040 1.265 1.00 0.00 C ATOM 621 CG GLU A 41 3.817 7.777 2.759 1.00 0.00 C ATOM 622 CD GLU A 41 4.516 8.895 3.509 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.181 9.724 2.853 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.398 8.941 4.751 1.00 0.00 O ATOM 0 H GLU A 41 1.015 8.212 1.018 1.00 0.00 H new ATOM 0 HA GLU A 41 3.246 10.131 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.352 7.148 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.737 8.215 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.811 7.649 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.349 6.841 2.930 1.00 0.00 H new ATOM 631 N LEU A 42 1.932 8.735 -1.290 1.00 0.00 N ATOM 632 CA LEU A 42 1.820 8.835 -2.741 1.00 0.00 C ATOM 633 C LEU A 42 0.561 9.598 -3.139 1.00 0.00 C ATOM 634 O LEU A 42 0.306 9.819 -4.323 1.00 0.00 O ATOM 635 CB LEU A 42 1.804 7.440 -3.369 1.00 0.00 C ATOM 636 CG LEU A 42 3.039 6.575 -3.112 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.722 5.107 -3.355 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.197 7.025 -3.990 1.00 0.00 C ATOM 0 H LEU A 42 1.265 8.095 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 42 2.687 9.383 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.928 6.907 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.679 7.550 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 42 3.332 6.694 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.612 4.507 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.923 4.791 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.403 4.970 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.067 6.399 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.914 6.935 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.440 8.064 -3.767 1.00 0.00 H new ATOM 650 N GLN A 43 -0.221 10.001 -2.143 1.00 0.00 N ATOM 651 CA GLN A 43 -1.453 10.741 -2.390 1.00 0.00 C ATOM 652 C GLN A 43 -2.362 9.979 -3.348 1.00 0.00 C ATOM 653 O GLN A 43 -3.140 10.581 -4.090 1.00 0.00 O ATOM 654 CB GLN A 43 -1.136 12.125 -2.959 1.00 0.00 C ATOM 655 CG GLN A 43 -0.394 13.027 -1.986 1.00 0.00 C ATOM 656 CD GLN A 43 0.874 12.391 -1.452 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.669 11.813 -2.345 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.137 12.419 -0.249 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.023 9.828 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.974 10.858 -1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.538 12.009 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.067 12.610 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.144 13.964 -2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.051 13.274 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.498 12.874 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.994 11.987 0.096 1.00 0.00 H new ATOM 667 N ILE A 44 -2.259 8.655 -3.329 1.00 0.00 N ATOM 668 CA ILE A 44 -3.072 7.812 -4.196 1.00 0.00 C ATOM 669 C ILE A 44 -4.210 7.160 -3.418 1.00 0.00 C ATOM 670 O ILE A 44 -4.031 6.665 -2.305 1.00 0.00 O ATOM 671 CB ILE A 44 -2.228 6.713 -4.867 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.968 7.317 -5.491 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.049 5.982 -5.919 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.117 6.308 -6.230 1.00 0.00 C ATOM 0 H ILE A 44 -1.620 8.142 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.487 8.461 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.925 5.993 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.258 8.110 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.370 7.780 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.438 5.208 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.919 5.524 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.379 6.690 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.759 6.806 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.203 5.527 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.699 5.863 -7.037 1.00 0.00 H new ATOM 686 N PRO A 45 -5.410 7.156 -4.017 1.00 0.00 N ATOM 687 CA PRO A 45 -6.601 6.565 -3.399 1.00 0.00 C ATOM 688 C PRO A 45 -6.523 5.044 -3.328 1.00 0.00 C ATOM 689 O PRO A 45 -6.220 4.381 -4.320 1.00 0.00 O ATOM 690 CB PRO A 45 -7.736 6.999 -4.331 1.00 0.00 C ATOM 691 CG PRO A 45 -7.080 7.222 -5.649 1.00 0.00 C ATOM 692 CD PRO A 45 -5.697 7.728 -5.343 1.00 0.00 C ATOM 0 HA PRO A 45 -6.729 6.891 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.508 6.233 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.219 7.907 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.039 6.298 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.637 7.945 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.974 7.397 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.662 8.817 -5.327 1.00 0.00 H new ATOM 700 N VAL A 46 -6.799 4.497 -2.148 1.00 0.00 N ATOM 701 CA VAL A 46 -6.761 3.053 -1.948 1.00 0.00 C ATOM 702 C VAL A 46 -7.692 2.339 -2.921 1.00 0.00 C ATOM 703 O VAL A 46 -7.514 1.155 -3.210 1.00 0.00 O ATOM 704 CB VAL A 46 -7.155 2.676 -0.507 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.203 1.164 -0.345 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.189 3.297 0.489 1.00 0.00 C ATOM 0 H VAL A 46 -7.051 5.032 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.735 2.734 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.151 3.071 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.483 0.916 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.939 0.748 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.222 0.743 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.483 3.020 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.180 2.935 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.211 4.382 0.389 1.00 0.00 H new ATOM 716 N SER A 47 -8.684 3.066 -3.425 1.00 0.00 N ATOM 717 CA SER A 47 -9.645 2.501 -4.364 1.00 0.00 C ATOM 718 C SER A 47 -8.984 2.205 -5.706 1.00 0.00 C ATOM 719 O SER A 47 -9.375 1.276 -6.414 1.00 0.00 O ATOM 720 CB SER A 47 -10.821 3.460 -4.562 1.00 0.00 C ATOM 721 OG SER A 47 -11.519 3.669 -3.347 1.00 0.00 O ATOM 0 H SER A 47 -8.843 4.048 -3.198 1.00 0.00 H new ATOM 0 HA SER A 47 -10.015 1.564 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.456 4.413 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.502 3.056 -5.311 1.00 0.00 H new ATOM 0 HG SER A 47 -12.264 4.287 -3.500 1.00 0.00 H new ATOM 727 N LYS A 48 -7.978 3.001 -6.051 1.00 0.00 N ATOM 728 CA LYS A 48 -7.259 2.827 -7.308 1.00 0.00 C ATOM 729 C LYS A 48 -6.055 1.909 -7.122 1.00 0.00 C ATOM 730 O LYS A 48 -5.557 1.321 -8.082 1.00 0.00 O ATOM 731 CB LYS A 48 -6.801 4.182 -7.850 1.00 0.00 C ATOM 732 CG LYS A 48 -7.945 5.133 -8.154 1.00 0.00 C ATOM 733 CD LYS A 48 -8.529 4.880 -9.534 1.00 0.00 C ATOM 734 CE LYS A 48 -9.954 5.403 -9.641 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.954 4.370 -9.253 1.00 0.00 N ATOM 0 H LYS A 48 -7.641 3.774 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.938 2.367 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.135 4.648 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.220 4.023 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.725 5.018 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.591 6.162 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.906 5.362 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.516 3.811 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.069 6.278 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.146 5.728 -10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.912 4.765 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.862 3.545 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.787 4.078 -8.269 1.00 0.00 H new ATOM 749 N MET A 49 -5.592 1.790 -5.882 1.00 0.00 N ATOM 750 CA MET A 49 -4.448 0.941 -5.571 1.00 0.00 C ATOM 751 C MET A 49 -4.898 -0.480 -5.245 1.00 0.00 C ATOM 752 O MET A 49 -5.983 -0.689 -4.701 1.00 0.00 O ATOM 753 CB MET A 49 -3.659 1.521 -4.396 1.00 0.00 C ATOM 754 CG MET A 49 -3.101 2.909 -4.665 1.00 0.00 C ATOM 755 SD MET A 49 -1.666 3.291 -3.642 1.00 0.00 S ATOM 756 CE MET A 49 -2.443 4.151 -2.276 1.00 0.00 C ATOM 0 H MET A 49 -5.992 2.271 -5.076 1.00 0.00 H new ATOM 0 HA MET A 49 -3.804 0.907 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.306 1.562 -3.520 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.836 0.848 -4.154 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.824 2.988 -5.716 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.879 3.651 -4.484 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.823 4.996 -1.978 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.424 4.512 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.555 3.469 -1.433 1.00 0.00 H new ATOM 766 N LEU A 50 -4.058 -1.453 -5.581 1.00 0.00 N ATOM 767 CA LEU A 50 -4.370 -2.855 -5.324 1.00 0.00 C ATOM 768 C LEU A 50 -3.225 -3.541 -4.586 1.00 0.00 C ATOM 769 O LEU A 50 -2.202 -3.881 -5.183 1.00 0.00 O ATOM 770 CB LEU A 50 -4.653 -3.584 -6.638 1.00 0.00 C ATOM 771 CG LEU A 50 -5.639 -2.900 -7.586 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.553 -3.509 -8.977 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.058 -3.003 -7.044 1.00 0.00 C ATOM 0 H LEU A 50 -3.156 -1.297 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.259 -2.894 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.709 -3.721 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.035 -4.578 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.373 -1.845 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.262 -3.009 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.543 -3.384 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.792 -4.571 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.747 -2.511 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.334 -4.053 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.111 -2.519 -6.069 1.00 0.00 H new ATOM 785 N LEU A 51 -3.403 -3.742 -3.285 1.00 0.00 N ATOM 786 CA LEU A 51 -2.385 -4.390 -2.464 1.00 0.00 C ATOM 787 C LEU A 51 -2.131 -5.817 -2.938 1.00 0.00 C ATOM 788 O LEU A 51 -3.046 -6.639 -2.988 1.00 0.00 O ATOM 789 CB LEU A 51 -2.815 -4.397 -0.996 1.00 0.00 C ATOM 790 CG LEU A 51 -1.685 -4.356 0.034 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.710 -5.500 -0.197 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.962 -3.018 -0.021 1.00 0.00 C ATOM 0 H LEU A 51 -4.242 -3.466 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.459 -3.824 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.467 -3.540 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.411 -5.292 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.120 -4.471 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.087 -5.454 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.236 -6.450 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.281 -5.416 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.161 -3.006 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.540 -2.873 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.666 -2.215 0.195 1.00 0.00 H new ATOM 804 N LYS A 52 -0.881 -6.106 -3.284 1.00 0.00 N ATOM 805 CA LYS A 52 -0.504 -7.435 -3.751 1.00 0.00 C ATOM 806 C LYS A 52 0.873 -7.826 -3.224 1.00 0.00 C ATOM 807 O LYS A 52 1.542 -7.035 -2.560 1.00 0.00 O ATOM 808 CB LYS A 52 -0.507 -7.480 -5.281 1.00 0.00 C ATOM 809 CG LYS A 52 -1.897 -7.398 -5.889 1.00 0.00 C ATOM 810 CD LYS A 52 -1.897 -7.843 -7.342 1.00 0.00 C ATOM 811 CE LYS A 52 -3.140 -7.357 -8.073 1.00 0.00 C ATOM 812 NZ LYS A 52 -4.386 -7.922 -7.485 1.00 0.00 N ATOM 0 H LYS A 52 -0.112 -5.437 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.236 -8.148 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.096 -6.656 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.029 -8.403 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.583 -8.022 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.265 -6.374 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.007 -7.460 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.847 -8.931 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.182 -6.268 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.075 -7.637 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.205 -7.622 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.329 -8.960 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.496 -7.579 -6.509 1.00 0.00 H new ATOM 826 N GLY A 53 1.291 -9.052 -3.525 1.00 0.00 N ATOM 827 CA GLY A 53 2.586 -9.526 -3.074 1.00 0.00 C ATOM 828 C GLY A 53 2.473 -10.581 -1.992 1.00 0.00 C ATOM 829 O GLY A 53 3.343 -11.442 -1.861 1.00 0.00 O ATOM 0 H GLY A 53 0.756 -9.725 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.134 -9.937 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.166 -8.684 -2.697 1.00 0.00 H new ATOM 833 N TRP A 54 1.399 -10.515 -1.213 1.00 0.00 N ATOM 834 CA TRP A 54 1.177 -11.472 -0.135 1.00 0.00 C ATOM 835 C TRP A 54 1.661 -12.862 -0.532 1.00 0.00 C ATOM 836 O TRP A 54 1.223 -13.418 -1.539 1.00 0.00 O ATOM 837 CB TRP A 54 -0.307 -11.520 0.233 1.00 0.00 C ATOM 838 CG TRP A 54 -0.849 -10.201 0.694 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.803 -9.445 0.075 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.466 -9.482 1.871 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.036 -8.299 0.796 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.229 -8.298 1.903 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.446 -9.723 2.903 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.107 -7.361 2.925 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.567 -8.791 3.916 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.206 -7.622 3.922 1.00 0.00 C ATOM 0 H TRP A 54 0.669 -9.809 -1.308 1.00 0.00 H new ATOM 0 HA TRP A 54 1.749 -11.144 0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.878 -11.856 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.455 -12.260 1.019 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.301 -9.709 -0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.702 -7.567 0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.045 -10.622 2.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.702 -6.460 2.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.270 -8.967 4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.089 -6.914 4.729 1.00 0.00 H new ATOM 857 N LYS A 55 2.567 -13.418 0.265 1.00 0.00 N ATOM 858 CA LYS A 55 3.110 -14.745 -0.003 1.00 0.00 C ATOM 859 C LYS A 55 1.990 -15.765 -0.182 1.00 0.00 C ATOM 860 O LYS A 55 2.050 -16.620 -1.066 1.00 0.00 O ATOM 861 CB LYS A 55 4.033 -15.180 1.138 1.00 0.00 C ATOM 862 CG LYS A 55 5.447 -14.638 1.016 1.00 0.00 C ATOM 863 CD LYS A 55 6.312 -15.529 0.140 1.00 0.00 C ATOM 864 CE LYS A 55 6.103 -15.230 -1.337 1.00 0.00 C ATOM 865 NZ LYS A 55 7.260 -15.676 -2.162 1.00 0.00 N ATOM 0 H LYS A 55 2.941 -12.971 1.102 1.00 0.00 H new ATOM 0 HA LYS A 55 3.684 -14.696 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.607 -14.850 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.071 -16.269 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.417 -13.632 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.893 -14.557 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.362 -15.385 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.076 -16.575 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.197 -15.727 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.951 -14.159 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.079 -15.455 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.120 -15.183 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.389 -16.702 -2.053 1.00 0.00 H new ATOM 879 N THR A 56 0.967 -15.669 0.662 1.00 0.00 N ATOM 880 CA THR A 56 -0.166 -16.583 0.597 1.00 0.00 C ATOM 881 C THR A 56 -1.260 -16.038 -0.315 1.00 0.00 C ATOM 882 O THR A 56 -2.025 -15.157 0.075 1.00 0.00 O ATOM 883 CB THR A 56 -0.760 -16.842 1.994 1.00 0.00 C ATOM 884 OG1 THR A 56 -2.025 -17.502 1.874 1.00 0.00 O ATOM 885 CG2 THR A 56 -0.934 -15.538 2.759 1.00 0.00 C ATOM 0 H THR A 56 0.900 -14.967 1.399 1.00 0.00 H new ATOM 0 HA THR A 56 0.209 -17.522 0.190 1.00 0.00 H new ATOM 0 HB THR A 56 -0.069 -17.479 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.395 -17.664 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.355 -15.747 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.035 -15.052 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.607 -14.880 2.209 1.00 0.00 H new ATOM 893 N GLY A 57 -1.329 -16.570 -1.531 1.00 0.00 N ATOM 894 CA GLY A 57 -2.334 -16.125 -2.479 1.00 0.00 C ATOM 895 C GLY A 57 -2.642 -14.646 -2.346 1.00 0.00 C ATOM 896 O GLY A 57 -1.751 -13.806 -2.472 1.00 0.00 O ATOM 0 H GLY A 57 -0.707 -17.301 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.990 -16.332 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.249 -16.698 -2.330 1.00 0.00 H new ATOM 900 N ASP A 58 -3.906 -14.328 -2.092 1.00 0.00 N ATOM 901 CA ASP A 58 -4.330 -12.940 -1.943 1.00 0.00 C ATOM 902 C ASP A 58 -4.985 -12.716 -0.584 1.00 0.00 C ATOM 903 O ASP A 58 -6.047 -13.268 -0.296 1.00 0.00 O ATOM 904 CB ASP A 58 -5.301 -12.558 -3.061 1.00 0.00 C ATOM 905 CG ASP A 58 -6.326 -13.642 -3.333 1.00 0.00 C ATOM 906 OD1 ASP A 58 -6.026 -14.554 -4.132 1.00 0.00 O ATOM 907 OD2 ASP A 58 -7.427 -13.578 -2.748 1.00 0.00 O ATOM 0 H ASP A 58 -4.655 -15.012 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.446 -12.306 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.815 -11.635 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.739 -12.356 -3.973 1.00 0.00 H new ATOM 912 N VAL A 59 -4.344 -11.902 0.249 1.00 0.00 N ATOM 913 CA VAL A 59 -4.864 -11.604 1.579 1.00 0.00 C ATOM 914 C VAL A 59 -6.022 -10.615 1.507 1.00 0.00 C ATOM 915 O VAL A 59 -6.198 -9.922 0.505 1.00 0.00 O ATOM 916 CB VAL A 59 -3.768 -11.029 2.494 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.352 -10.629 3.841 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.639 -12.033 2.670 1.00 0.00 C ATOM 0 H VAL A 59 -3.464 -11.437 0.027 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.219 -12.545 1.998 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.358 -10.136 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.562 -10.225 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.122 -9.872 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.791 -11.504 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.873 -11.609 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.031 -12.946 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.203 -12.264 1.698 1.00 0.00 H new ATOM 928 N GLU A 60 -6.809 -10.555 2.576 1.00 0.00 N ATOM 929 CA GLU A 60 -7.951 -9.650 2.634 1.00 0.00 C ATOM 930 C GLU A 60 -7.710 -8.533 3.645 1.00 0.00 C ATOM 931 O GLU A 60 -7.138 -8.759 4.711 1.00 0.00 O ATOM 932 CB GLU A 60 -9.222 -10.419 3.001 1.00 0.00 C ATOM 933 CG GLU A 60 -9.000 -11.497 4.049 1.00 0.00 C ATOM 934 CD GLU A 60 -10.241 -12.330 4.302 1.00 0.00 C ATOM 935 OE1 GLU A 60 -10.748 -12.945 3.340 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.706 -12.366 5.460 1.00 0.00 O ATOM 0 H GLU A 60 -6.677 -11.122 3.414 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.077 -9.203 1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.969 -9.715 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.632 -10.878 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.189 -12.150 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.683 -11.031 4.982 1.00 0.00 H new ATOM 943 N ASP A 61 -8.149 -7.327 3.301 1.00 0.00 N ATOM 944 CA ASP A 61 -7.982 -6.174 4.178 1.00 0.00 C ATOM 945 C ASP A 61 -8.498 -6.479 5.581 1.00 0.00 C ATOM 946 O ASP A 61 -8.156 -5.790 6.542 1.00 0.00 O ATOM 947 CB ASP A 61 -8.715 -4.960 3.604 1.00 0.00 C ATOM 948 CG ASP A 61 -8.777 -4.984 2.090 1.00 0.00 C ATOM 949 OD1 ASP A 61 -7.737 -4.724 1.448 1.00 0.00 O ATOM 950 OD2 ASP A 61 -9.865 -5.264 1.545 1.00 0.00 O ATOM 0 H ASP A 61 -8.623 -7.123 2.421 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.917 -5.949 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.728 -4.927 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.213 -4.049 3.930 1.00 0.00 H new ATOM 955 N SER A 62 -9.324 -7.514 5.690 1.00 0.00 N ATOM 956 CA SER A 62 -9.891 -7.907 6.975 1.00 0.00 C ATOM 957 C SER A 62 -8.929 -8.810 7.740 1.00 0.00 C ATOM 958 O SER A 62 -9.327 -9.522 8.663 1.00 0.00 O ATOM 959 CB SER A 62 -11.226 -8.625 6.768 1.00 0.00 C ATOM 960 OG SER A 62 -11.035 -10.019 6.596 1.00 0.00 O ATOM 0 H SER A 62 -9.616 -8.096 4.905 1.00 0.00 H new ATOM 0 HA SER A 62 -10.059 -7.004 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.875 -8.447 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.732 -8.214 5.895 1.00 0.00 H new ATOM 0 HG SER A 62 -11.251 -10.267 5.673 1.00 0.00 H new ATOM 966 N THR A 63 -7.658 -8.776 7.350 1.00 0.00 N ATOM 967 CA THR A 63 -6.638 -9.590 7.998 1.00 0.00 C ATOM 968 C THR A 63 -5.671 -8.726 8.799 1.00 0.00 C ATOM 969 O THR A 63 -5.507 -7.538 8.520 1.00 0.00 O ATOM 970 CB THR A 63 -5.841 -10.414 6.969 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.738 -11.092 6.083 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.945 -11.428 7.665 1.00 0.00 C ATOM 0 H THR A 63 -7.311 -8.193 6.588 1.00 0.00 H new ATOM 0 HA THR A 63 -7.158 -10.269 8.674 1.00 0.00 H new ATOM 0 HB THR A 63 -5.214 -9.730 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.956 -10.507 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.392 -11.998 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.243 -10.907 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.557 -12.106 8.260 1.00 0.00 H new ATOM 980 N VAL A 64 -5.030 -9.330 9.795 1.00 0.00 N ATOM 981 CA VAL A 64 -4.077 -8.616 10.636 1.00 0.00 C ATOM 982 C VAL A 64 -2.661 -9.139 10.427 1.00 0.00 C ATOM 983 O VAL A 64 -2.440 -10.348 10.337 1.00 0.00 O ATOM 984 CB VAL A 64 -4.443 -8.737 12.127 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.553 -7.837 12.970 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.912 -8.403 12.343 1.00 0.00 C ATOM 0 H VAL A 64 -5.154 -10.313 10.039 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.121 -7.567 10.344 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.278 -9.767 12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.826 -7.936 14.021 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.511 -8.128 12.837 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.683 -6.801 12.657 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.154 -8.493 13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.106 -7.383 12.012 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.530 -9.094 11.769 1.00 0.00 H new ATOM 996 N LEU A 65 -1.702 -8.222 10.352 1.00 0.00 N ATOM 997 CA LEU A 65 -0.305 -8.591 10.155 1.00 0.00 C ATOM 998 C LEU A 65 0.097 -9.725 11.092 1.00 0.00 C ATOM 999 O LEU A 65 0.523 -10.791 10.648 1.00 0.00 O ATOM 1000 CB LEU A 65 0.600 -7.379 10.385 1.00 0.00 C ATOM 1001 CG LEU A 65 0.297 -6.144 9.535 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.707 -4.877 10.270 1.00 0.00 C ATOM 1003 CD2 LEU A 65 1.003 -6.235 8.190 1.00 0.00 C ATOM 0 H LEU A 65 -1.867 -7.218 10.425 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.188 -8.935 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.536 -7.097 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.631 -7.680 10.198 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.777 -6.104 9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.484 -4.009 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.155 -4.805 11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.776 -4.908 10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.776 -5.348 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.080 -6.300 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.660 -7.123 7.658 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.044 -9.489 12.392 1.00 0.00 N ATOM 1016 CA LYS A 66 0.301 -10.491 13.394 1.00 0.00 C ATOM 1017 C LYS A 66 -0.164 -11.877 12.959 1.00 0.00 C ATOM 1018 O LYS A 66 0.453 -12.885 13.302 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.326 -10.130 14.742 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.769 -10.583 14.883 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.512 -9.765 15.925 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.126 -10.178 17.337 1.00 0.00 C ATOM 1023 NZ LYS A 66 -3.117 -9.706 18.344 1.00 0.00 N ATOM 0 H LYS A 66 -0.395 -8.612 12.777 1.00 0.00 H new ATOM 0 HA LYS A 66 1.386 -10.507 13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.266 -10.578 15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.278 -9.050 14.878 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.275 -10.494 13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.795 -11.637 15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.294 -8.707 15.782 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.586 -9.890 15.789 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.045 -11.264 17.388 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.143 -9.773 17.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.818 -10.008 19.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.176 -8.668 18.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.050 -10.112 18.130 1.00 0.00 H new ATOM 1037 N SER A 67 -1.256 -11.919 12.202 1.00 0.00 N ATOM 1038 CA SER A 67 -1.805 -13.182 11.722 1.00 0.00 C ATOM 1039 C SER A 67 -0.857 -13.844 10.727 1.00 0.00 C ATOM 1040 O SER A 67 -0.614 -15.050 10.790 1.00 0.00 O ATOM 1041 CB SER A 67 -3.170 -12.954 11.069 1.00 0.00 C ATOM 1042 OG SER A 67 -4.001 -14.092 11.216 1.00 0.00 O ATOM 0 H SER A 67 -1.778 -11.093 11.908 1.00 0.00 H new ATOM 0 HA SER A 67 -1.926 -13.845 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.652 -12.087 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.038 -12.731 10.010 1.00 0.00 H new ATOM 0 HG SER A 67 -4.868 -13.921 10.792 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.322 -13.046 9.809 1.00 0.00 N ATOM 1049 CA LEU A 68 0.601 -13.553 8.799 1.00 0.00 C ATOM 1050 C LEU A 68 2.033 -13.558 9.324 1.00 0.00 C ATOM 1051 O LEU A 68 2.910 -14.211 8.758 1.00 0.00 O ATOM 1052 CB LEU A 68 0.513 -12.705 7.529 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.763 -12.865 6.702 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.823 -11.814 5.605 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.842 -14.264 6.108 1.00 0.00 C ATOM 0 H LEU A 68 -0.511 -12.046 9.743 1.00 0.00 H new ATOM 0 HA LEU A 68 0.317 -14.579 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.611 -11.656 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.366 -12.947 6.895 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.620 -12.723 7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.738 -11.943 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.814 -10.820 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.040 -11.924 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.757 -14.360 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.021 -14.435 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.847 -15.001 6.911 1.00 0.00 H new ATOM 1067 N HIS A 69 2.263 -12.825 10.409 1.00 0.00 N ATOM 1068 CA HIS A 69 3.589 -12.747 11.012 1.00 0.00 C ATOM 1069 C HIS A 69 4.667 -12.630 9.939 1.00 0.00 C ATOM 1070 O HIS A 69 5.623 -13.407 9.917 1.00 0.00 O ATOM 1071 CB HIS A 69 3.850 -13.977 11.882 1.00 0.00 C ATOM 1072 CG HIS A 69 3.288 -15.243 11.313 1.00 0.00 C ATOM 1073 ND1 HIS A 69 4.005 -16.078 10.482 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.071 -15.817 11.462 1.00 0.00 C ATOM 1075 CE1 HIS A 69 3.253 -17.110 10.143 1.00 0.00 C ATOM 1076 NE2 HIS A 69 2.074 -16.975 10.724 1.00 0.00 N ATOM 0 H HIS A 69 1.549 -12.277 10.888 1.00 0.00 H new ATOM 0 HA HIS A 69 3.625 -11.855 11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.925 -14.095 12.017 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.421 -13.811 12.870 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.251 -15.435 12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.551 -17.925 9.500 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.293 -17.625 10.638 1.00 0.00 H new ATOM 1085 N LEU A 70 4.508 -11.655 9.051 1.00 0.00 N ATOM 1086 CA LEU A 70 5.468 -11.437 7.974 1.00 0.00 C ATOM 1087 C LEU A 70 6.882 -11.291 8.527 1.00 0.00 C ATOM 1088 O LEU A 70 7.089 -10.880 9.669 1.00 0.00 O ATOM 1089 CB LEU A 70 5.090 -10.190 7.173 1.00 0.00 C ATOM 1090 CG LEU A 70 3.887 -10.331 6.239 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.025 -11.575 5.375 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.593 -10.376 7.040 1.00 0.00 C ATOM 0 H LEU A 70 3.724 -11.003 9.055 1.00 0.00 H new ATOM 0 HA LEU A 70 5.443 -12.306 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.888 -9.380 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.953 -9.889 6.579 1.00 0.00 H new ATOM 0 HG LEU A 70 3.855 -9.461 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.160 -11.659 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.932 -11.502 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.082 -12.457 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.747 -10.476 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.615 -11.228 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.489 -9.456 7.615 1.00 0.00 H new ATOM 1104 N PRO A 71 7.879 -11.634 7.698 1.00 0.00 N ATOM 1105 CA PRO A 71 9.292 -11.547 8.082 1.00 0.00 C ATOM 1106 C PRO A 71 9.768 -10.105 8.216 1.00 0.00 C ATOM 1107 O PRO A 71 9.300 -9.216 7.505 1.00 0.00 O ATOM 1108 CB PRO A 71 10.016 -12.244 6.927 1.00 0.00 C ATOM 1109 CG PRO A 71 9.100 -12.097 5.761 1.00 0.00 C ATOM 1110 CD PRO A 71 7.705 -12.133 6.324 1.00 0.00 C ATOM 0 HA PRO A 71 9.479 -12.000 9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.984 -11.783 6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.203 -13.294 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.285 -11.160 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.252 -12.902 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.024 -11.504 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.293 -13.142 6.312 1.00 0.00 H new ATOM 1118 N LYS A 72 10.703 -9.879 9.133 1.00 0.00 N ATOM 1119 CA LYS A 72 11.245 -8.545 9.361 1.00 0.00 C ATOM 1120 C LYS A 72 11.418 -7.796 8.044 1.00 0.00 C ATOM 1121 O LYS A 72 11.138 -6.601 7.956 1.00 0.00 O ATOM 1122 CB LYS A 72 12.588 -8.635 10.089 1.00 0.00 C ATOM 1123 CG LYS A 72 13.078 -7.302 10.629 1.00 0.00 C ATOM 1124 CD LYS A 72 14.355 -7.464 11.437 1.00 0.00 C ATOM 1125 CE LYS A 72 14.074 -8.051 12.811 1.00 0.00 C ATOM 1126 NZ LYS A 72 15.281 -8.699 13.395 1.00 0.00 N ATOM 0 H LYS A 72 11.101 -10.603 9.731 1.00 0.00 H new ATOM 0 HA LYS A 72 10.538 -7.994 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.498 -9.341 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.336 -9.038 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.255 -6.616 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.305 -6.855 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.048 -8.111 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.843 -6.495 11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.726 -7.263 13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.270 -8.783 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.048 -9.087 14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.598 -9.468 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.041 -7.995 13.491 1.00 0.00 H new ATOM 1140 N ASN A 73 11.881 -8.507 7.020 1.00 0.00 N ATOM 1141 CA ASN A 73 12.091 -7.909 5.707 1.00 0.00 C ATOM 1142 C ASN A 73 10.946 -8.259 4.761 1.00 0.00 C ATOM 1143 O ASN A 73 10.703 -9.429 4.469 1.00 0.00 O ATOM 1144 CB ASN A 73 13.419 -8.383 5.114 1.00 0.00 C ATOM 1145 CG ASN A 73 13.476 -9.889 4.953 1.00 0.00 C ATOM 1146 OD1 ASN A 73 13.184 -10.422 3.882 1.00 0.00 O ATOM 1147 ND2 ASN A 73 13.853 -10.584 6.020 1.00 0.00 N ATOM 0 H ASN A 73 12.118 -9.498 7.075 1.00 0.00 H new ATOM 0 HA ASN A 73 12.121 -6.826 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.569 -7.911 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.237 -8.058 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.910 -11.601 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.086 -10.100 6.887 1.00 0.00 H new ATOM 1154 N ASN A 74 10.245 -7.234 4.285 1.00 0.00 N ATOM 1155 CA ASN A 74 9.125 -7.433 3.372 1.00 0.00 C ATOM 1156 C ASN A 74 9.213 -6.476 2.187 1.00 0.00 C ATOM 1157 O ASN A 74 9.787 -5.392 2.293 1.00 0.00 O ATOM 1158 CB ASN A 74 7.799 -7.231 4.107 1.00 0.00 C ATOM 1159 CG ASN A 74 7.554 -8.295 5.160 1.00 0.00 C ATOM 1160 OD1 ASN A 74 7.421 -9.478 4.845 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.494 -7.878 6.419 1.00 0.00 N ATOM 0 H ASN A 74 10.433 -6.258 4.516 1.00 0.00 H new ATOM 0 HA ASN A 74 9.172 -8.455 2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.794 -6.249 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.982 -7.242 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.332 -8.548 7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.610 -6.888 6.634 1.00 0.00 H new ATOM 1168 N SER A 75 8.641 -6.884 1.059 1.00 0.00 N ATOM 1169 CA SER A 75 8.657 -6.065 -0.147 1.00 0.00 C ATOM 1170 C SER A 75 7.350 -6.211 -0.920 1.00 0.00 C ATOM 1171 O SER A 75 7.052 -7.275 -1.464 1.00 0.00 O ATOM 1172 CB SER A 75 9.837 -6.456 -1.039 1.00 0.00 C ATOM 1173 OG SER A 75 9.864 -7.855 -1.264 1.00 0.00 O ATOM 0 H SER A 75 8.160 -7.778 0.955 1.00 0.00 H new ATOM 0 HA SER A 75 8.767 -5.023 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.766 -5.932 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.770 -6.141 -0.572 1.00 0.00 H new ATOM 0 HG SER A 75 8.951 -8.180 -1.411 1.00 0.00 H new ATOM 1179 N LEU A 76 6.574 -5.134 -0.966 1.00 0.00 N ATOM 1180 CA LEU A 76 5.297 -5.140 -1.672 1.00 0.00 C ATOM 1181 C LEU A 76 5.349 -4.233 -2.898 1.00 0.00 C ATOM 1182 O LEU A 76 6.371 -3.604 -3.175 1.00 0.00 O ATOM 1183 CB LEU A 76 4.173 -4.690 -0.738 1.00 0.00 C ATOM 1184 CG LEU A 76 3.758 -5.689 0.343 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.960 -4.993 1.434 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.954 -6.829 -0.264 1.00 0.00 C ATOM 0 H LEU A 76 6.806 -4.245 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 76 5.098 -6.159 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.481 -3.765 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.297 -4.455 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 76 4.660 -6.106 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.673 -5.719 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.570 -4.213 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.064 -4.548 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.667 -7.530 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.058 -6.430 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.560 -7.345 -1.009 1.00 0.00 H new ATOM 1198 N TYR A 77 4.241 -4.170 -3.628 1.00 0.00 N ATOM 1199 CA TYR A 77 4.160 -3.340 -4.824 1.00 0.00 C ATOM 1200 C TYR A 77 2.725 -2.889 -5.078 1.00 0.00 C ATOM 1201 O TYR A 77 1.772 -3.548 -4.662 1.00 0.00 O ATOM 1202 CB TYR A 77 4.688 -4.106 -6.038 1.00 0.00 C ATOM 1203 CG TYR A 77 4.091 -5.487 -6.190 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.541 -6.549 -5.415 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.077 -5.730 -7.108 1.00 0.00 C ATOM 1206 CE1 TYR A 77 3.998 -7.812 -5.550 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.528 -6.990 -7.249 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.992 -8.027 -6.468 1.00 0.00 C ATOM 1209 OH TYR A 77 2.448 -9.284 -6.607 1.00 0.00 O ATOM 0 H TYR A 77 3.387 -4.684 -3.412 1.00 0.00 H new ATOM 0 HA TYR A 77 4.777 -2.456 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.481 -3.529 -6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.771 -4.195 -5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.329 -6.384 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.712 -4.920 -7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.359 -8.627 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.740 -7.162 -7.967 1.00 0.00 H new ATOM 0 HH TYR A 77 1.750 -9.264 -7.295 1.00 0.00 H new ATOM 1219 N VAL A 78 2.579 -1.760 -5.765 1.00 0.00 N ATOM 1220 CA VAL A 78 1.262 -1.220 -6.077 1.00 0.00 C ATOM 1221 C VAL A 78 0.951 -1.354 -7.564 1.00 0.00 C ATOM 1222 O VAL A 78 1.837 -1.221 -8.409 1.00 0.00 O ATOM 1223 CB VAL A 78 1.153 0.262 -5.672 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.060 0.907 -6.327 1.00 0.00 C ATOM 1225 CG2 VAL A 78 1.086 0.397 -4.159 1.00 0.00 C ATOM 0 H VAL A 78 3.357 -1.202 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 78 0.538 -1.800 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 78 2.045 0.783 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.121 1.954 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.035 0.843 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.964 0.387 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.009 1.451 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.213 -0.137 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.988 -0.025 -3.716 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.312 -1.617 -7.877 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.742 -1.769 -9.263 1.00 0.00 C ATOM 1237 C LEU A 79 -2.042 -1.013 -9.516 1.00 0.00 C ATOM 1238 O LEU A 79 -3.118 -1.450 -9.105 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.925 -3.249 -9.602 1.00 0.00 C ATOM 1240 CG LEU A 79 0.134 -4.201 -9.045 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.141 -4.508 -7.582 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.180 -5.484 -9.862 1.00 0.00 C ATOM 0 H LEU A 79 -1.057 -1.730 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 79 0.032 -1.349 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.900 -3.567 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.944 -3.353 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 79 1.106 -3.714 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.623 -5.187 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.122 -3.583 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.121 -4.975 -7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.939 -6.150 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.792 -5.975 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.426 -5.248 -10.897 1.00 0.00 H new ATOM 1254 N THR A 80 -1.937 0.124 -10.198 1.00 0.00 N ATOM 1255 CA THR A 80 -3.104 0.941 -10.507 1.00 0.00 C ATOM 1256 C THR A 80 -3.511 0.787 -11.968 1.00 0.00 C ATOM 1257 O THR A 80 -3.002 1.473 -12.855 1.00 0.00 O ATOM 1258 CB THR A 80 -2.842 2.430 -10.213 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.897 2.955 -11.152 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.316 2.618 -8.798 1.00 0.00 C ATOM 0 H THR A 80 -1.055 0.500 -10.547 1.00 0.00 H new ATOM 0 HA THR A 80 -3.914 0.590 -9.868 1.00 0.00 H new ATOM 0 HB THR A 80 -3.785 2.968 -10.307 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.236 2.828 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.138 3.678 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.050 2.243 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.382 2.068 -8.681 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.451 -0.134 -12.227 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.949 -0.398 -13.580 1.00 0.00 C ATOM 1270 C PRO A 81 -5.787 0.754 -14.125 1.00 0.00 C ATOM 1271 O PRO A 81 -5.635 1.152 -15.280 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.811 -1.650 -13.403 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.238 -1.617 -11.976 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.102 -0.987 -11.219 1.00 0.00 C ATOM 0 HA PRO A 81 -4.137 -0.521 -14.296 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.670 -1.637 -14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.246 -2.555 -13.626 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.155 -1.040 -11.856 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.444 -2.622 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.459 -0.404 -10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.417 -1.737 -10.825 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.670 1.284 -13.287 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.532 2.392 -13.685 1.00 0.00 C ATOM 1284 C ASP A 82 -6.757 3.706 -13.694 1.00 0.00 C ATOM 1285 O ASP A 82 -6.696 4.395 -14.713 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.730 2.498 -12.740 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.274 1.141 -12.340 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -9.229 0.215 -13.175 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -9.746 1.006 -11.191 1.00 0.00 O ATOM 0 H ASP A 82 -6.808 0.965 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.892 2.196 -14.695 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.436 3.046 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.519 3.075 -13.222 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.169 4.048 -12.554 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.398 5.281 -12.430 1.00 0.00 C ATOM 1296 C LEU A 83 -4.397 5.415 -13.573 1.00 0.00 C ATOM 1297 O LEU A 83 -3.496 4.593 -13.740 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.665 5.315 -11.088 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.409 6.702 -10.498 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.721 7.374 -10.123 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.492 6.606 -9.287 1.00 0.00 C ATOM 0 H LEU A 83 -6.211 3.489 -11.702 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.092 6.120 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.242 4.736 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.706 4.810 -11.208 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.916 7.312 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.518 8.360 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.344 7.478 -11.012 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.243 6.767 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.321 7.603 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.958 5.979 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.540 6.168 -9.586 1.00 0.00 H new ATOM 1313 N PRO A 84 -4.556 6.476 -14.378 1.00 0.00 N ATOM 1314 CA PRO A 84 -3.673 6.744 -15.517 1.00 0.00 C ATOM 1315 C PRO A 84 -2.273 7.161 -15.081 1.00 0.00 C ATOM 1316 O PRO A 84 -2.029 7.478 -13.916 1.00 0.00 O ATOM 1317 CB PRO A 84 -4.372 7.895 -16.244 1.00 0.00 C ATOM 1318 CG PRO A 84 -5.176 8.576 -15.190 1.00 0.00 C ATOM 1319 CD PRO A 84 -5.608 7.496 -14.237 1.00 0.00 C ATOM 0 HA PRO A 84 -3.525 5.858 -16.135 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.650 8.577 -16.693 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.007 7.527 -17.050 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.585 9.335 -14.678 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.039 9.082 -15.623 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.674 7.866 -13.214 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.590 7.100 -14.497 1.00 0.00 H new ATOM 1327 N PRO A 85 -1.330 7.162 -16.035 1.00 0.00 N ATOM 1328 CA PRO A 85 0.062 7.539 -15.772 1.00 0.00 C ATOM 1329 C PRO A 85 0.214 9.029 -15.483 1.00 0.00 C ATOM 1330 O PRO A 85 -0.408 9.876 -16.125 1.00 0.00 O ATOM 1331 CB PRO A 85 0.780 7.170 -17.072 1.00 0.00 C ATOM 1332 CG PRO A 85 -0.278 7.225 -18.119 1.00 0.00 C ATOM 1333 CD PRO A 85 -1.551 6.795 -17.444 1.00 0.00 C ATOM 0 HA PRO A 85 0.462 7.037 -14.891 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.588 7.868 -17.289 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.224 6.177 -17.010 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.373 8.232 -18.526 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.037 6.566 -18.953 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.419 7.305 -17.861 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.725 5.725 -17.558 1.00 0.00 H new ATOM 1341 N PRO A 86 1.060 9.357 -14.496 1.00 0.00 N ATOM 1342 CA PRO A 86 1.314 10.746 -14.101 1.00 0.00 C ATOM 1343 C PRO A 86 2.096 11.516 -15.160 1.00 0.00 C ATOM 1344 O PRO A 86 2.356 11.003 -16.248 1.00 0.00 O ATOM 1345 CB PRO A 86 2.143 10.605 -12.822 1.00 0.00 C ATOM 1346 CG PRO A 86 2.802 9.274 -12.942 1.00 0.00 C ATOM 1347 CD PRO A 86 1.834 8.399 -13.690 1.00 0.00 C ATOM 0 HA PRO A 86 0.389 11.307 -13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.879 11.405 -12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.513 10.656 -11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.749 9.354 -13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.025 8.859 -11.959 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.351 7.672 -14.317 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.194 7.836 -13.011 1.00 0.00 H new ATOM 1355 N SER A 87 2.467 12.750 -14.834 1.00 0.00 N ATOM 1356 CA SER A 87 3.216 13.592 -15.759 1.00 0.00 C ATOM 1357 C SER A 87 4.614 13.881 -15.220 1.00 0.00 C ATOM 1358 O SER A 87 4.831 13.907 -14.008 1.00 0.00 O ATOM 1359 CB SER A 87 2.471 14.905 -16.004 1.00 0.00 C ATOM 1360 OG SER A 87 3.069 15.642 -17.057 1.00 0.00 O ATOM 0 H SER A 87 2.261 13.189 -13.936 1.00 0.00 H new ATOM 0 HA SER A 87 3.313 13.055 -16.703 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.430 14.696 -16.248 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.471 15.502 -15.092 1.00 0.00 H new ATOM 0 HG SER A 87 2.573 16.476 -17.195 1.00 0.00 H new ATOM 1366 N SER A 88 5.559 14.099 -16.129 1.00 0.00 N ATOM 1367 CA SER A 88 6.937 14.382 -15.746 1.00 0.00 C ATOM 1368 C SER A 88 7.054 15.771 -15.125 1.00 0.00 C ATOM 1369 O SER A 88 6.622 16.763 -15.712 1.00 0.00 O ATOM 1370 CB SER A 88 7.859 14.276 -16.963 1.00 0.00 C ATOM 1371 OG SER A 88 7.549 15.269 -17.925 1.00 0.00 O ATOM 0 H SER A 88 5.395 14.085 -17.136 1.00 0.00 H new ATOM 0 HA SER A 88 7.241 13.644 -15.003 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.897 14.382 -16.647 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.762 13.287 -17.412 1.00 0.00 H new ATOM 0 HG SER A 88 7.213 16.070 -17.472 1.00 0.00 H new ATOM 1377 N SER A 89 7.641 15.832 -13.934 1.00 0.00 N ATOM 1378 CA SER A 89 7.812 17.098 -13.230 1.00 0.00 C ATOM 1379 C SER A 89 9.287 17.370 -12.953 1.00 0.00 C ATOM 1380 O SER A 89 10.054 16.454 -12.657 1.00 0.00 O ATOM 1381 CB SER A 89 7.028 17.085 -11.916 1.00 0.00 C ATOM 1382 OG SER A 89 5.690 17.507 -12.116 1.00 0.00 O ATOM 0 H SER A 89 8.006 15.020 -13.436 1.00 0.00 H new ATOM 0 HA SER A 89 7.427 17.895 -13.866 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.036 16.080 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.514 17.739 -11.192 1.00 0.00 H new ATOM 0 HG SER A 89 5.210 17.488 -11.262 1.00 0.00 H new ATOM 1388 N SER A 90 9.677 18.637 -13.051 1.00 0.00 N ATOM 1389 CA SER A 90 11.061 19.032 -12.815 1.00 0.00 C ATOM 1390 C SER A 90 11.304 19.299 -11.333 1.00 0.00 C ATOM 1391 O SER A 90 11.881 20.322 -10.962 1.00 0.00 O ATOM 1392 CB SER A 90 11.405 20.278 -13.634 1.00 0.00 C ATOM 1393 OG SER A 90 11.461 19.979 -15.018 1.00 0.00 O ATOM 0 H SER A 90 9.054 19.408 -13.292 1.00 0.00 H new ATOM 0 HA SER A 90 11.706 18.211 -13.129 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.658 21.052 -13.456 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.364 20.679 -13.306 1.00 0.00 H new ATOM 0 HG SER A 90 11.681 20.792 -15.520 1.00 0.00 H new ATOM 1399 N HIS A 91 10.859 18.373 -10.490 1.00 0.00 N ATOM 1400 CA HIS A 91 11.028 18.507 -9.048 1.00 0.00 C ATOM 1401 C HIS A 91 12.490 18.764 -8.694 1.00 0.00 C ATOM 1402 O HIS A 91 13.371 17.981 -9.047 1.00 0.00 O ATOM 1403 CB HIS A 91 10.532 17.249 -8.335 1.00 0.00 C ATOM 1404 CG HIS A 91 10.262 17.454 -6.876 1.00 0.00 C ATOM 1405 ND1 HIS A 91 10.334 16.437 -5.948 1.00 0.00 N ATOM 1406 CD2 HIS A 91 9.920 18.567 -6.187 1.00 0.00 C ATOM 1407 CE1 HIS A 91 10.046 16.916 -4.751 1.00 0.00 C ATOM 1408 NE2 HIS A 91 9.791 18.207 -4.868 1.00 0.00 N ATOM 0 H HIS A 91 10.379 17.522 -10.781 1.00 0.00 H new ATOM 0 HA HIS A 91 10.436 19.360 -8.716 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.619 16.903 -8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.274 16.459 -8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 91 9.775 19.555 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.023 16.348 -3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.539 18.834 -4.104 1.00 0.00 H new ATOM 1417 N ALA A 92 12.740 19.866 -7.994 1.00 0.00 N ATOM 1418 CA ALA A 92 14.094 20.225 -7.592 1.00 0.00 C ATOM 1419 C ALA A 92 14.315 19.957 -6.107 1.00 0.00 C ATOM 1420 O ALA A 92 13.878 20.729 -5.255 1.00 0.00 O ATOM 1421 CB ALA A 92 14.370 21.687 -7.912 1.00 0.00 C ATOM 0 H ALA A 92 12.022 20.525 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 92 14.790 19.603 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.385 21.941 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.262 21.851 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.661 22.317 -7.375 1.00 0.00 H new ATOM 1427 N GLY A 93 14.995 18.855 -5.804 1.00 0.00 N ATOM 1428 CA GLY A 93 15.261 18.504 -4.421 1.00 0.00 C ATOM 1429 C GLY A 93 15.116 17.017 -4.163 1.00 0.00 C ATOM 1430 O GLY A 93 14.010 16.478 -4.204 1.00 0.00 O ATOM 0 H GLY A 93 15.366 18.199 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.271 18.819 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.577 19.051 -3.772 1.00 0.00 H new ATOM 1434 N ALA A 94 16.236 16.353 -3.897 1.00 0.00 N ATOM 1435 CA ALA A 94 16.228 14.920 -3.630 1.00 0.00 C ATOM 1436 C ALA A 94 16.846 14.611 -2.270 1.00 0.00 C ATOM 1437 O ALA A 94 18.057 14.420 -2.156 1.00 0.00 O ATOM 1438 CB ALA A 94 16.970 14.174 -4.730 1.00 0.00 C ATOM 0 H ALA A 94 17.160 16.784 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 94 15.191 14.585 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.956 13.105 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.484 14.360 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.002 14.522 -4.773 1.00 0.00 H new ATOM 1444 N LEU A 95 16.007 14.565 -1.242 1.00 0.00 N ATOM 1445 CA LEU A 95 16.470 14.280 0.112 1.00 0.00 C ATOM 1446 C LEU A 95 16.525 12.777 0.364 1.00 0.00 C ATOM 1447 O LEU A 95 15.495 12.135 0.570 1.00 0.00 O ATOM 1448 CB LEU A 95 15.552 14.948 1.138 1.00 0.00 C ATOM 1449 CG LEU A 95 15.785 16.440 1.377 1.00 0.00 C ATOM 1450 CD1 LEU A 95 14.572 17.070 2.043 1.00 0.00 C ATOM 1451 CD2 LEU A 95 17.033 16.656 2.222 1.00 0.00 C ATOM 0 H LEU A 95 15.002 14.721 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 95 17.477 14.684 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.520 14.809 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 95 15.663 14.427 2.089 1.00 0.00 H new ATOM 0 HG LEU A 95 15.936 16.924 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.756 18.132 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.700 16.947 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 95 14.389 16.583 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 95 17.184 17.724 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 95 16.912 16.158 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 95 17.898 16.241 1.705 1.00 0.00 H new ATOM 1463 N GLN A 96 17.733 12.223 0.348 1.00 0.00 N ATOM 1464 CA GLN A 96 17.921 10.795 0.576 1.00 0.00 C ATOM 1465 C GLN A 96 17.681 10.442 2.040 1.00 0.00 C ATOM 1466 O GLN A 96 16.868 9.573 2.353 1.00 0.00 O ATOM 1467 CB GLN A 96 19.332 10.373 0.161 1.00 0.00 C ATOM 1468 CG GLN A 96 19.480 10.131 -1.332 1.00 0.00 C ATOM 1469 CD GLN A 96 18.681 8.936 -1.812 1.00 0.00 C ATOM 1470 OE1 GLN A 96 18.235 8.111 -1.014 1.00 0.00 O ATOM 1471 NE2 GLN A 96 18.495 8.836 -3.123 1.00 0.00 N ATOM 0 H GLN A 96 18.596 12.741 0.180 1.00 0.00 H new ATOM 0 HA GLN A 96 17.195 10.256 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 96 20.038 11.145 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.602 9.463 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.158 11.020 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.533 9.978 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.882 9.543 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.965 8.053 -3.505 1.00 0.00 H new ATOM 1480 N GLU A 97 18.396 11.121 2.932 1.00 0.00 N ATOM 1481 CA GLU A 97 18.261 10.876 4.364 1.00 0.00 C ATOM 1482 C GLU A 97 18.299 9.381 4.666 1.00 0.00 C ATOM 1483 O GLU A 97 17.535 8.884 5.493 1.00 0.00 O ATOM 1484 CB GLU A 97 16.955 11.480 4.885 1.00 0.00 C ATOM 1485 CG GLU A 97 17.061 12.956 5.228 1.00 0.00 C ATOM 1486 CD GLU A 97 15.724 13.567 5.597 1.00 0.00 C ATOM 1487 OE1 GLU A 97 14.805 13.542 4.752 1.00 0.00 O ATOM 1488 OE2 GLU A 97 15.595 14.071 6.733 1.00 0.00 O ATOM 0 H GLU A 97 19.073 11.844 2.689 1.00 0.00 H new ATOM 0 HA GLU A 97 19.101 11.352 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.177 11.345 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.639 10.931 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 97 17.756 13.083 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.479 13.494 4.377 1.00 0.00 H new ATOM 1495 N SER A 98 19.195 8.669 3.990 1.00 0.00 N ATOM 1496 CA SER A 98 19.331 7.230 4.182 1.00 0.00 C ATOM 1497 C SER A 98 20.518 6.913 5.086 1.00 0.00 C ATOM 1498 O SER A 98 21.556 7.573 5.023 1.00 0.00 O ATOM 1499 CB SER A 98 19.500 6.528 2.833 1.00 0.00 C ATOM 1500 OG SER A 98 18.403 6.796 1.977 1.00 0.00 O ATOM 0 H SER A 98 19.838 9.065 3.304 1.00 0.00 H new ATOM 0 HA SER A 98 18.423 6.864 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.424 6.860 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.590 5.453 2.988 1.00 0.00 H new ATOM 0 HG SER A 98 18.724 7.231 1.160 1.00 0.00 H new ATOM 1506 N LEU A 99 20.358 5.897 5.927 1.00 0.00 N ATOM 1507 CA LEU A 99 21.416 5.490 6.846 1.00 0.00 C ATOM 1508 C LEU A 99 22.327 4.452 6.200 1.00 0.00 C ATOM 1509 O LEU A 99 21.918 3.732 5.291 1.00 0.00 O ATOM 1510 CB LEU A 99 20.811 4.926 8.133 1.00 0.00 C ATOM 1511 CG LEU A 99 19.909 5.874 8.922 1.00 0.00 C ATOM 1512 CD1 LEU A 99 18.865 5.090 9.703 1.00 0.00 C ATOM 1513 CD2 LEU A 99 20.736 6.742 9.858 1.00 0.00 C ATOM 0 H LEU A 99 19.506 5.340 5.992 1.00 0.00 H new ATOM 0 HA LEU A 99 22.013 6.369 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.236 4.035 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.625 4.606 8.783 1.00 0.00 H new ATOM 0 HG LEU A 99 19.393 6.525 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 99 18.232 5.781 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.252 4.512 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.363 4.414 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.077 7.411 10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 99 21.280 6.107 10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.445 7.331 9.276 1.00 0.00 H new ATOM 1525 N ASN A 100 23.565 4.379 6.679 1.00 0.00 N ATOM 1526 CA ASN A 100 24.535 3.427 6.150 1.00 0.00 C ATOM 1527 C ASN A 100 25.148 2.595 7.272 1.00 0.00 C ATOM 1528 O ASN A 100 25.054 1.367 7.269 1.00 0.00 O ATOM 1529 CB ASN A 100 25.637 4.163 5.385 1.00 0.00 C ATOM 1530 CG ASN A 100 26.579 4.913 6.307 1.00 0.00 C ATOM 1531 OD1 ASN A 100 26.143 5.626 7.211 1.00 0.00 O ATOM 1532 ND2 ASN A 100 27.878 4.756 6.080 1.00 0.00 N ATOM 0 H ASN A 100 23.920 4.968 7.433 1.00 0.00 H new ATOM 0 HA ASN A 100 24.014 2.756 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 100 26.206 3.446 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 100 25.183 4.864 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 100 28.560 5.237 6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 100 28.194 4.155 5.319 1.00 0.00 H new TER 1539 ASN A 100