USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 862 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 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 160:sc= 0.229 (180deg=0.11) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= -0.686 USER MOD Single : A 14 THR OG1 : rot -28:sc= 0.3 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -21:sc= 0.962 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 27:sc= 0.514! USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= -0.0201 (180deg=-0.152) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -151:sc= -0.202 (180deg=-0.729) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= 0.459 (180deg=-0.0411) USER MOD Single : A 70 ASN :FLIP amide:sc= -2.09 F(o=-4.9!,f=-2.1) USER MOD Single : A 71 SER OG : rot -32:sc= 0.56 USER MOD Single : A 74 SER OG : rot 129:sc= 0.0141 USER MOD Single : A 80 THR OG1 : rot 110:sc= -1.22 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00801) USER MOD Single : A 93 LYS NZ :NH3+ -153:sc= -0.133 (180deg=-0.706) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.437 (180deg=-1.22!) USER MOD Single : A 97 TYR OH : rot -122:sc= 0.00393 USER MOD Single : A 112 THR OG1 : rot -110:sc= -1.67 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.659 0.784 14.622 1.00 0.00 N ATOM 21 CA LYS A 2 -0.123 0.355 13.335 1.00 0.00 C ATOM 22 C LYS A 2 -1.243 -0.060 12.387 1.00 0.00 C ATOM 23 O LYS A 2 -1.972 -1.016 12.651 1.00 0.00 O ATOM 24 CB LYS A 2 0.852 -0.809 13.526 1.00 0.00 C ATOM 25 CG LYS A 2 1.814 -0.615 14.689 1.00 0.00 C ATOM 26 CD LYS A 2 3.255 -0.485 14.212 1.00 0.00 C ATOM 27 CE LYS A 2 4.178 -1.433 14.961 1.00 0.00 C ATOM 28 NZ LYS A 2 3.955 -2.851 14.570 1.00 0.00 N ATOM 0 HA LYS A 2 0.408 1.199 12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.284 -1.725 13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.426 -0.945 12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.534 0.278 15.248 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.732 -1.459 15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.306 -0.695 13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.594 0.541 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.215 -1.161 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.018 -1.323 16.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.791 -3.416 14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.122 -3.222 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.796 -2.907 13.544 1.00 0.00 H new ATOM 42 N ARG A 3 -1.373 0.666 11.281 1.00 0.00 N ATOM 43 CA ARG A 3 -2.402 0.374 10.289 1.00 0.00 C ATOM 44 C ARG A 3 -1.880 0.620 8.877 1.00 0.00 C ATOM 45 O ARG A 3 -1.261 1.647 8.608 1.00 0.00 O ATOM 46 CB ARG A 3 -3.642 1.234 10.543 1.00 0.00 C ATOM 47 CG ARG A 3 -4.055 1.292 12.005 1.00 0.00 C ATOM 48 CD ARG A 3 -3.496 2.527 12.693 1.00 0.00 C ATOM 49 NE ARG A 3 -4.397 3.032 13.726 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.336 4.264 14.225 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.418 5.119 13.791 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.194 4.643 15.163 1.00 0.00 N ATOM 0 H ARG A 3 -0.778 1.461 11.049 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.672 -0.678 10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.450 2.247 10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.472 0.842 9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.143 1.295 12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.704 0.397 12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.531 2.288 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.320 3.307 11.952 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.115 2.403 14.086 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.754 4.833 13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.376 6.062 14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.901 3.990 15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.147 5.587 15.545 1.00 0.00 H new ATOM 66 N VAL A 4 -2.130 -0.325 7.980 1.00 0.00 N ATOM 67 CA VAL A 4 -1.683 -0.201 6.599 1.00 0.00 C ATOM 68 C VAL A 4 -2.842 -0.426 5.632 1.00 0.00 C ATOM 69 O VAL A 4 -3.863 -0.999 6.000 1.00 0.00 O ATOM 70 CB VAL A 4 -0.553 -1.203 6.284 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.060 -0.918 4.923 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.512 -1.164 7.370 1.00 0.00 C ATOM 0 H VAL A 4 -2.639 -1.185 8.184 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.300 0.812 6.473 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.983 -2.204 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.854 -1.638 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.707 -1.002 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.474 0.090 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.301 -1.877 7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.935 -0.161 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.064 -1.426 8.329 1.00 0.00 H new ATOM 82 N LEU A 5 -2.679 0.029 4.394 1.00 0.00 N ATOM 83 CA LEU A 5 -3.718 -0.130 3.381 1.00 0.00 C ATOM 84 C LEU A 5 -3.257 -1.089 2.290 1.00 0.00 C ATOM 85 O LEU A 5 -2.128 -1.001 1.813 1.00 0.00 O ATOM 86 CB LEU A 5 -4.078 1.223 2.766 1.00 0.00 C ATOM 87 CG LEU A 5 -5.323 1.216 1.876 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.544 0.793 2.676 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.541 2.586 1.248 1.00 0.00 C ATOM 0 H LEU A 5 -1.840 0.509 4.068 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.603 -0.544 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.229 1.943 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.231 1.575 2.178 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.170 0.494 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.421 0.793 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.388 -0.209 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.700 1.491 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.431 2.560 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.673 3.330 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.675 2.850 0.641 1.00 0.00 H new ATOM 101 N VAL A 6 -4.131 -2.013 1.904 1.00 0.00 N ATOM 102 CA VAL A 6 -3.795 -2.989 0.872 1.00 0.00 C ATOM 103 C VAL A 6 -4.675 -2.833 -0.364 1.00 0.00 C ATOM 104 O VAL A 6 -5.733 -3.454 -0.468 1.00 0.00 O ATOM 105 CB VAL A 6 -3.929 -4.429 1.398 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.400 -5.422 0.375 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.206 -4.580 2.726 1.00 0.00 C ATOM 0 H VAL A 6 -5.072 -2.107 2.287 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.758 -2.798 0.595 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.986 -4.642 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.503 -6.435 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.969 -5.329 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.348 -5.215 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.311 -5.604 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.149 -4.349 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.638 -3.895 3.456 1.00 0.00 H new ATOM 117 N VAL A 7 -4.227 -2.016 -1.309 1.00 0.00 N ATOM 118 CA VAL A 7 -4.976 -1.799 -2.538 1.00 0.00 C ATOM 119 C VAL A 7 -4.681 -2.898 -3.552 1.00 0.00 C ATOM 120 O VAL A 7 -3.603 -2.932 -4.148 1.00 0.00 O ATOM 121 CB VAL A 7 -4.647 -0.431 -3.166 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.544 -0.161 -4.366 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.781 0.676 -2.132 1.00 0.00 C ATOM 0 H VAL A 7 -3.352 -1.495 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.034 -1.819 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.614 -0.451 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.296 0.810 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.393 -0.938 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.587 -0.161 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.545 1.635 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.803 0.698 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.092 0.490 -1.308 1.00 0.00 H new ATOM 133 N ASP A 8 -5.639 -3.800 -3.739 1.00 0.00 N ATOM 134 CA ASP A 8 -5.473 -4.904 -4.676 1.00 0.00 C ATOM 135 C ASP A 8 -6.737 -5.112 -5.505 1.00 0.00 C ATOM 136 O ASP A 8 -7.845 -5.139 -4.971 1.00 0.00 O ATOM 137 CB ASP A 8 -5.117 -6.187 -3.921 1.00 0.00 C ATOM 138 CG ASP A 8 -4.964 -7.382 -4.842 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.994 -7.989 -5.204 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.814 -7.712 -5.201 1.00 0.00 O ATOM 0 H ASP A 8 -6.537 -3.788 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.659 -4.655 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.188 -6.035 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.892 -6.398 -3.184 1.00 0.00 H new ATOM 145 N ASP A 9 -6.559 -5.256 -6.815 1.00 0.00 N ATOM 146 CA ASP A 9 -7.679 -5.460 -7.729 1.00 0.00 C ATOM 147 C ASP A 9 -8.572 -6.610 -7.264 1.00 0.00 C ATOM 148 O ASP A 9 -9.797 -6.491 -7.267 1.00 0.00 O ATOM 149 CB ASP A 9 -7.160 -5.722 -9.148 1.00 0.00 C ATOM 150 CG ASP A 9 -8.260 -6.132 -10.111 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.232 -5.363 -10.262 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.147 -7.220 -10.712 1.00 0.00 O ATOM 0 H ASP A 9 -5.646 -5.235 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.283 -4.553 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.672 -4.823 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.403 -6.505 -9.114 1.00 0.00 H new ATOM 157 N GLU A 10 -7.960 -7.723 -6.866 1.00 0.00 N ATOM 158 CA GLU A 10 -8.721 -8.878 -6.404 1.00 0.00 C ATOM 159 C GLU A 10 -7.805 -10.001 -5.924 1.00 0.00 C ATOM 160 O GLU A 10 -6.813 -10.330 -6.573 1.00 0.00 O ATOM 161 CB GLU A 10 -9.624 -9.394 -7.525 1.00 0.00 C ATOM 162 CG GLU A 10 -8.870 -9.770 -8.790 1.00 0.00 C ATOM 163 CD GLU A 10 -9.465 -10.979 -9.485 1.00 0.00 C ATOM 164 OE1 GLU A 10 -9.635 -12.022 -8.819 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.760 -10.884 -10.695 1.00 0.00 O ATOM 0 H GLU A 10 -6.948 -7.848 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.331 -8.556 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.172 -10.265 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.363 -8.630 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.873 -8.923 -9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.829 -9.974 -8.541 1.00 0.00 H new ATOM 217 N THR A 14 -4.858 -9.305 -0.744 1.00 0.00 N ATOM 218 CA THR A 14 -5.961 -9.216 0.210 1.00 0.00 C ATOM 219 C THR A 14 -6.129 -10.513 0.999 1.00 0.00 C ATOM 220 O THR A 14 -6.554 -10.494 2.155 1.00 0.00 O ATOM 221 CB THR A 14 -7.262 -8.880 -0.521 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.400 -9.671 -1.688 1.00 0.00 O ATOM 223 CG2 THR A 14 -7.358 -7.428 -0.935 1.00 0.00 C ATOM 0 HA THR A 14 -5.724 -8.421 0.917 1.00 0.00 H new ATOM 0 HB THR A 14 -8.058 -9.090 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.512 -9.907 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.304 -7.258 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.305 -6.793 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.533 -7.185 -1.605 1.00 0.00 H new ATOM 231 N SER A 15 -5.803 -11.637 0.370 1.00 0.00 N ATOM 232 CA SER A 15 -5.931 -12.939 1.018 1.00 0.00 C ATOM 233 C SER A 15 -4.650 -13.328 1.753 1.00 0.00 C ATOM 234 O SER A 15 -4.694 -13.775 2.899 1.00 0.00 O ATOM 235 CB SER A 15 -6.283 -14.010 -0.015 1.00 0.00 C ATOM 236 OG SER A 15 -5.632 -13.763 -1.250 1.00 0.00 O ATOM 0 H SER A 15 -5.449 -11.674 -0.586 1.00 0.00 H new ATOM 0 HA SER A 15 -6.733 -12.866 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.994 -14.991 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.362 -14.032 -0.167 1.00 0.00 H new ATOM 0 HG SER A 15 -5.873 -14.463 -1.892 1.00 0.00 H new ATOM 242 N SER A 16 -3.513 -13.170 1.083 1.00 0.00 N ATOM 243 CA SER A 16 -2.223 -13.518 1.672 1.00 0.00 C ATOM 244 C SER A 16 -1.780 -12.488 2.706 1.00 0.00 C ATOM 245 O SER A 16 -1.739 -12.775 3.903 1.00 0.00 O ATOM 246 CB SER A 16 -1.161 -13.643 0.576 1.00 0.00 C ATOM 247 OG SER A 16 0.144 -13.650 1.130 1.00 0.00 O ATOM 0 H SER A 16 -3.458 -12.804 0.133 1.00 0.00 H new ATOM 0 HA SER A 16 -2.339 -14.476 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.324 -14.560 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.258 -12.814 -0.125 1.00 0.00 H new ATOM 0 HG SER A 16 0.804 -13.732 0.411 1.00 0.00 H new ATOM 253 N LEU A 17 -1.438 -11.292 2.235 1.00 0.00 N ATOM 254 CA LEU A 17 -0.980 -10.207 3.106 1.00 0.00 C ATOM 255 C LEU A 17 -1.792 -10.140 4.399 1.00 0.00 C ATOM 256 O LEU A 17 -1.228 -10.055 5.490 1.00 0.00 O ATOM 257 CB LEU A 17 -1.065 -8.872 2.355 1.00 0.00 C ATOM 258 CG LEU A 17 -0.175 -7.729 2.877 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.004 -6.713 3.648 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.968 -8.251 3.740 1.00 0.00 C ATOM 0 H LEU A 17 -1.469 -11.046 1.246 1.00 0.00 H new ATOM 0 HA LEU A 17 0.056 -10.407 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.811 -9.052 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.101 -8.534 2.377 1.00 0.00 H new ATOM 0 HG LEU A 17 0.266 -7.237 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.357 -5.914 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.768 -6.294 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.483 -7.202 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.572 -7.414 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.561 -8.787 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.589 -8.927 3.152 1.00 0.00 H new ATOM 272 N SER A 18 -3.114 -10.182 4.271 1.00 0.00 N ATOM 273 CA SER A 18 -3.998 -10.131 5.437 1.00 0.00 C ATOM 274 C SER A 18 -3.586 -11.169 6.480 1.00 0.00 C ATOM 275 O SER A 18 -3.565 -10.894 7.679 1.00 0.00 O ATOM 276 CB SER A 18 -5.451 -10.360 5.016 1.00 0.00 C ATOM 277 OG SER A 18 -6.349 -9.931 6.025 1.00 0.00 O ATOM 0 H SER A 18 -3.599 -10.251 3.376 1.00 0.00 H new ATOM 0 HA SER A 18 -3.911 -9.140 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.654 -9.820 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.610 -11.418 4.809 1.00 0.00 H new ATOM 0 HG SER A 18 -5.883 -9.902 6.887 1.00 0.00 H new ATOM 283 N ALA A 19 -3.241 -12.362 6.020 1.00 0.00 N ATOM 284 CA ALA A 19 -2.811 -13.420 6.922 1.00 0.00 C ATOM 285 C ALA A 19 -1.564 -12.983 7.675 1.00 0.00 C ATOM 286 O ALA A 19 -1.361 -13.337 8.837 1.00 0.00 O ATOM 287 CB ALA A 19 -2.533 -14.693 6.143 1.00 0.00 C ATOM 0 H ALA A 19 -3.250 -12.621 5.034 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.607 -13.618 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.212 -15.477 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.440 -15.010 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.747 -14.507 5.411 1.00 0.00 H new ATOM 293 N ILE A 20 -0.733 -12.213 6.987 1.00 0.00 N ATOM 294 CA ILE A 20 0.511 -11.711 7.553 1.00 0.00 C ATOM 295 C ILE A 20 0.271 -10.566 8.534 1.00 0.00 C ATOM 296 O ILE A 20 0.576 -10.691 9.720 1.00 0.00 O ATOM 297 CB ILE A 20 1.472 -11.251 6.437 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.110 -12.465 5.773 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.543 -10.314 6.980 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.428 -12.877 4.489 1.00 0.00 C ATOM 0 H ILE A 20 -0.901 -11.920 6.025 1.00 0.00 H new ATOM 0 HA ILE A 20 0.966 -12.535 8.103 1.00 0.00 H new ATOM 0 HB ILE A 20 0.897 -10.698 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.158 -12.247 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.091 -13.303 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.204 -10.008 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.070 -9.433 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.123 -10.829 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.934 -13.747 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.387 -13.127 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.470 -12.055 3.775 1.00 0.00 H new ATOM 312 N LEU A 21 -0.259 -9.442 8.046 1.00 0.00 N ATOM 313 CA LEU A 21 -0.502 -8.299 8.919 1.00 0.00 C ATOM 314 C LEU A 21 -1.372 -8.670 10.126 1.00 0.00 C ATOM 315 O LEU A 21 -1.460 -7.910 11.090 1.00 0.00 O ATOM 316 CB LEU A 21 -1.048 -7.086 8.131 1.00 0.00 C ATOM 317 CG LEU A 21 -2.491 -7.155 7.646 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.553 -7.114 6.132 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.155 -8.396 8.161 1.00 0.00 C ATOM 0 H LEU A 21 -0.523 -9.303 7.071 1.00 0.00 H new ATOM 0 HA LEU A 21 0.460 -7.991 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.947 -6.202 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.408 -6.933 7.262 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.023 -6.286 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.593 -7.165 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.107 -6.186 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.004 -7.962 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.185 -8.431 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.617 -9.273 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.147 -8.388 9.251 1.00 0.00 H new ATOM 331 N GLU A 22 -1.999 -9.850 10.077 1.00 0.00 N ATOM 332 CA GLU A 22 -2.834 -10.314 11.175 1.00 0.00 C ATOM 333 C GLU A 22 -1.981 -11.006 12.233 1.00 0.00 C ATOM 334 O GLU A 22 -2.343 -11.043 13.409 1.00 0.00 O ATOM 335 CB GLU A 22 -3.909 -11.268 10.661 1.00 0.00 C ATOM 336 CG GLU A 22 -5.251 -10.596 10.412 1.00 0.00 C ATOM 337 CD GLU A 22 -5.896 -11.042 9.115 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.698 -12.213 8.724 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.602 -10.224 8.490 1.00 0.00 O ATOM 0 H GLU A 22 -1.941 -10.495 9.289 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.321 -9.450 11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.564 -11.726 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.044 -12.073 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.923 -10.816 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.113 -9.515 10.392 1.00 0.00 H new ATOM 346 N GLU A 23 -0.840 -11.547 11.807 1.00 0.00 N ATOM 347 CA GLU A 23 0.068 -12.229 12.716 1.00 0.00 C ATOM 348 C GLU A 23 0.963 -11.220 13.430 1.00 0.00 C ATOM 349 O GLU A 23 1.305 -11.395 14.600 1.00 0.00 O ATOM 350 CB GLU A 23 0.914 -13.244 11.940 1.00 0.00 C ATOM 351 CG GLU A 23 2.127 -13.746 12.705 1.00 0.00 C ATOM 352 CD GLU A 23 2.264 -15.256 12.662 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.844 -15.772 11.683 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.791 -15.922 13.608 1.00 0.00 O ATOM 0 H GLU A 23 -0.526 -11.524 10.837 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.515 -12.759 13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.288 -14.095 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.248 -12.788 11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.027 -13.292 12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.056 -13.421 13.743 1.00 0.00 H new ATOM 361 N GLU A 24 1.339 -10.164 12.715 1.00 0.00 N ATOM 362 CA GLU A 24 2.194 -9.124 13.275 1.00 0.00 C ATOM 363 C GLU A 24 1.421 -8.244 14.252 1.00 0.00 C ATOM 364 O GLU A 24 1.865 -8.008 15.376 1.00 0.00 O ATOM 365 CB GLU A 24 2.786 -8.266 12.159 1.00 0.00 C ATOM 366 CG GLU A 24 4.036 -8.862 11.530 1.00 0.00 C ATOM 367 CD GLU A 24 3.842 -10.299 11.088 1.00 0.00 C ATOM 368 OE1 GLU A 24 3.012 -10.535 10.186 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.520 -11.188 11.644 1.00 0.00 O ATOM 0 H GLU A 24 1.064 -10.006 11.745 1.00 0.00 H new ATOM 0 HA GLU A 24 3.003 -9.612 13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.033 -8.122 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.025 -7.280 12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.328 -8.258 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.856 -8.814 12.246 1.00 0.00 H new ATOM 376 N GLY A 25 0.265 -7.756 13.814 1.00 0.00 N ATOM 377 CA GLY A 25 -0.550 -6.905 14.655 1.00 0.00 C ATOM 378 C GLY A 25 -0.804 -5.551 14.024 1.00 0.00 C ATOM 379 O GLY A 25 -0.482 -4.515 14.607 1.00 0.00 O ATOM 0 H GLY A 25 -0.121 -7.937 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.503 -7.397 14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.057 -6.769 15.617 1.00 0.00 H new ATOM 383 N TYR A 26 -1.378 -5.561 12.825 1.00 0.00 N ATOM 384 CA TYR A 26 -1.670 -4.328 12.105 1.00 0.00 C ATOM 385 C TYR A 26 -3.164 -4.198 11.823 1.00 0.00 C ATOM 386 O TYR A 26 -3.967 -5.021 12.262 1.00 0.00 O ATOM 387 CB TYR A 26 -0.900 -4.296 10.784 1.00 0.00 C ATOM 388 CG TYR A 26 0.588 -4.087 10.942 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.126 -2.808 11.007 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.455 -5.169 11.018 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.486 -2.613 11.144 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.817 -4.982 11.156 1.00 0.00 C ATOM 393 CZ TYR A 26 3.328 -3.703 11.219 1.00 0.00 C ATOM 394 OH TYR A 26 4.684 -3.513 11.356 1.00 0.00 O ATOM 0 H TYR A 26 -1.650 -6.411 12.332 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.359 -3.492 12.732 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.070 -5.233 10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.304 -3.499 10.160 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.470 -1.952 10.949 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.059 -6.172 10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.889 -1.612 11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.478 -5.834 11.214 1.00 0.00 H new ATOM 0 HH TYR A 26 5.134 -4.383 11.395 1.00 0.00 H new ATOM 404 N HIS A 27 -3.521 -3.160 11.075 1.00 0.00 N ATOM 405 CA HIS A 27 -4.909 -2.910 10.710 1.00 0.00 C ATOM 406 C HIS A 27 -5.015 -2.634 9.212 1.00 0.00 C ATOM 407 O HIS A 27 -4.919 -1.485 8.778 1.00 0.00 O ATOM 408 CB HIS A 27 -5.460 -1.723 11.503 1.00 0.00 C ATOM 409 CG HIS A 27 -6.871 -1.913 11.964 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.202 -2.250 13.260 1.00 0.00 N ATOM 411 CD2 HIS A 27 -8.044 -1.812 11.293 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.515 -2.347 13.367 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.049 -2.086 12.189 1.00 0.00 N ATOM 0 H HIS A 27 -2.862 -2.474 10.707 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.499 -3.795 10.949 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.823 -1.550 12.371 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.406 -0.827 10.884 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.166 -1.563 10.249 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.059 -2.597 14.266 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.047 -2.087 11.978 1.00 0.00 H new ATOM 422 N PRO A 28 -5.197 -3.687 8.399 1.00 0.00 N ATOM 423 CA PRO A 28 -5.296 -3.551 6.948 1.00 0.00 C ATOM 424 C PRO A 28 -6.685 -3.132 6.481 1.00 0.00 C ATOM 425 O PRO A 28 -7.683 -3.779 6.797 1.00 0.00 O ATOM 426 CB PRO A 28 -4.957 -4.953 6.455 1.00 0.00 C ATOM 427 CG PRO A 28 -5.453 -5.855 7.531 1.00 0.00 C ATOM 428 CD PRO A 28 -5.306 -5.095 8.827 1.00 0.00 C ATOM 0 HA PRO A 28 -4.639 -2.771 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.442 -5.167 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.884 -5.071 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.493 -6.130 7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.879 -6.781 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.165 -5.249 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.423 -5.414 9.380 1.00 0.00 H new ATOM 436 N ASP A 29 -6.733 -2.041 5.724 1.00 0.00 N ATOM 437 CA ASP A 29 -7.998 -1.531 5.209 1.00 0.00 C ATOM 438 C ASP A 29 -8.240 -1.978 3.775 1.00 0.00 C ATOM 439 O ASP A 29 -9.181 -1.525 3.126 1.00 0.00 O ATOM 440 CB ASP A 29 -8.051 -0.013 5.316 1.00 0.00 C ATOM 441 CG ASP A 29 -9.095 0.461 6.308 1.00 0.00 C ATOM 442 OD1 ASP A 29 -8.828 0.402 7.527 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.181 0.893 5.866 1.00 0.00 O ATOM 0 H ASP A 29 -5.915 -1.495 5.455 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.795 -1.949 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.072 0.362 5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.267 0.410 4.335 1.00 0.00 H new ATOM 448 N THR A 30 -7.365 -2.859 3.307 1.00 0.00 N ATOM 449 CA THR A 30 -7.398 -3.422 1.949 1.00 0.00 C ATOM 450 C THR A 30 -8.482 -2.827 1.052 1.00 0.00 C ATOM 451 O THR A 30 -9.672 -2.886 1.359 1.00 0.00 O ATOM 452 CB THR A 30 -7.573 -4.937 2.006 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.917 -5.277 2.297 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.695 -5.605 3.041 1.00 0.00 C ATOM 0 H THR A 30 -6.592 -3.215 3.869 1.00 0.00 H new ATOM 0 HA THR A 30 -6.439 -3.159 1.502 1.00 0.00 H new ATOM 0 HB THR A 30 -7.279 -5.297 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.510 -4.561 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.870 -6.681 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.648 -5.405 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.933 -5.211 4.029 1.00 0.00 H new ATOM 462 N ALA A 31 -8.049 -2.282 -0.078 1.00 0.00 N ATOM 463 CA ALA A 31 -8.960 -1.695 -1.050 1.00 0.00 C ATOM 464 C ALA A 31 -8.945 -2.498 -2.346 1.00 0.00 C ATOM 465 O ALA A 31 -8.086 -3.357 -2.543 1.00 0.00 O ATOM 466 CB ALA A 31 -8.588 -0.244 -1.320 1.00 0.00 C ATOM 0 H ALA A 31 -7.065 -2.235 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.969 -1.722 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.279 0.179 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.646 0.325 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.572 -0.196 -1.713 1.00 0.00 H new ATOM 472 N LYS A 32 -9.900 -2.222 -3.226 1.00 0.00 N ATOM 473 CA LYS A 32 -9.987 -2.929 -4.499 1.00 0.00 C ATOM 474 C LYS A 32 -9.162 -2.230 -5.571 1.00 0.00 C ATOM 475 O LYS A 32 -8.531 -2.879 -6.404 1.00 0.00 O ATOM 476 CB LYS A 32 -11.445 -3.035 -4.953 1.00 0.00 C ATOM 477 CG LYS A 32 -12.420 -3.302 -3.818 1.00 0.00 C ATOM 478 CD LYS A 32 -13.858 -3.316 -4.310 1.00 0.00 C ATOM 479 CE LYS A 32 -14.839 -3.464 -3.159 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.611 -4.721 -2.393 1.00 0.00 N ATOM 0 H LYS A 32 -10.623 -1.517 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.585 -3.931 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.729 -2.109 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.530 -3.835 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.184 -4.259 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.305 -2.537 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.067 -2.393 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.995 -4.137 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.745 -2.609 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.858 -3.455 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.389 -4.861 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.574 -5.526 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.711 -4.654 -1.876 1.00 0.00 H new ATOM 494 N THR A 33 -9.168 -0.903 -5.546 1.00 0.00 N ATOM 495 CA THR A 33 -8.418 -0.122 -6.519 1.00 0.00 C ATOM 496 C THR A 33 -8.095 1.261 -5.967 1.00 0.00 C ATOM 497 O THR A 33 -8.453 1.587 -4.836 1.00 0.00 O ATOM 498 CB THR A 33 -9.212 0.008 -7.820 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.560 0.349 -7.551 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.215 -1.259 -8.647 1.00 0.00 C ATOM 0 H THR A 33 -9.683 -0.347 -4.864 1.00 0.00 H new ATOM 0 HA THR A 33 -7.482 -0.641 -6.724 1.00 0.00 H new ATOM 0 HB THR A 33 -8.712 0.792 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.052 0.429 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.795 -1.099 -9.556 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.191 -1.523 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.661 -2.069 -8.070 1.00 0.00 H new ATOM 508 N LEU A 34 -7.419 2.071 -6.773 1.00 0.00 N ATOM 509 CA LEU A 34 -7.053 3.419 -6.361 1.00 0.00 C ATOM 510 C LEU A 34 -8.300 4.251 -6.084 1.00 0.00 C ATOM 511 O LEU A 34 -8.307 5.101 -5.195 1.00 0.00 O ATOM 512 CB LEU A 34 -6.193 4.091 -7.433 1.00 0.00 C ATOM 513 CG LEU A 34 -5.001 3.261 -7.920 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.540 3.740 -9.288 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.859 3.326 -6.915 1.00 0.00 C ATOM 0 H LEU A 34 -7.114 1.818 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.472 3.351 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.825 4.328 -8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.821 5.037 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.319 2.222 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.693 3.139 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.356 3.639 -10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.240 4.786 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.021 2.731 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.542 4.361 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.196 2.932 -5.956 1.00 0.00 H new ATOM 527 N ARG A 35 -9.359 3.991 -6.845 1.00 0.00 N ATOM 528 CA ARG A 35 -10.616 4.708 -6.668 1.00 0.00 C ATOM 529 C ARG A 35 -11.229 4.368 -5.317 1.00 0.00 C ATOM 530 O ARG A 35 -11.630 5.255 -4.561 1.00 0.00 O ATOM 531 CB ARG A 35 -11.593 4.358 -7.793 1.00 0.00 C ATOM 532 CG ARG A 35 -11.245 5.000 -9.126 1.00 0.00 C ATOM 533 CD ARG A 35 -10.346 4.102 -9.962 1.00 0.00 C ATOM 534 NE ARG A 35 -9.137 4.795 -10.399 1.00 0.00 N ATOM 535 CZ ARG A 35 -9.105 5.668 -11.403 1.00 0.00 C ATOM 536 NH1 ARG A 35 -10.212 5.959 -12.075 1.00 0.00 N ATOM 537 NH2 ARG A 35 -7.962 6.254 -11.736 1.00 0.00 N ATOM 0 H ARG A 35 -9.371 3.292 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.413 5.778 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.618 3.275 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.596 4.669 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.161 5.214 -9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.747 5.954 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.070 3.222 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.896 3.748 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.266 4.598 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.094 5.513 -11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.181 6.629 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.108 6.035 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.937 6.923 -12.505 1.00 0.00 H new ATOM 551 N GLU A 36 -11.290 3.075 -5.013 1.00 0.00 N ATOM 552 CA GLU A 36 -11.843 2.611 -3.749 1.00 0.00 C ATOM 553 C GLU A 36 -10.934 3.010 -2.590 1.00 0.00 C ATOM 554 O GLU A 36 -11.399 3.234 -1.472 1.00 0.00 O ATOM 555 CB GLU A 36 -12.028 1.091 -3.771 1.00 0.00 C ATOM 556 CG GLU A 36 -13.334 0.629 -3.143 1.00 0.00 C ATOM 557 CD GLU A 36 -13.201 0.356 -1.659 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.351 1.309 -0.864 1.00 0.00 O ATOM 559 OE2 GLU A 36 -12.950 -0.811 -1.289 1.00 0.00 O ATOM 0 H GLU A 36 -10.962 2.330 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.817 3.081 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.987 0.743 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.196 0.624 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.099 1.390 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.675 -0.276 -3.646 1.00 0.00 H new ATOM 566 N ALA A 37 -9.635 3.100 -2.866 1.00 0.00 N ATOM 567 CA ALA A 37 -8.666 3.476 -1.847 1.00 0.00 C ATOM 568 C ALA A 37 -8.800 4.950 -1.491 1.00 0.00 C ATOM 569 O ALA A 37 -8.607 5.338 -0.339 1.00 0.00 O ATOM 570 CB ALA A 37 -7.253 3.168 -2.319 1.00 0.00 C ATOM 0 H ALA A 37 -9.233 2.918 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.868 2.890 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.540 3.455 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.161 2.101 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.044 3.728 -3.231 1.00 0.00 H new ATOM 576 N GLU A 38 -9.150 5.766 -2.479 1.00 0.00 N ATOM 577 CA GLU A 38 -9.328 7.193 -2.253 1.00 0.00 C ATOM 578 C GLU A 38 -10.542 7.428 -1.369 1.00 0.00 C ATOM 579 O GLU A 38 -10.505 8.241 -0.445 1.00 0.00 O ATOM 580 CB GLU A 38 -9.492 7.931 -3.580 1.00 0.00 C ATOM 581 CG GLU A 38 -8.209 8.022 -4.390 1.00 0.00 C ATOM 582 CD GLU A 38 -8.461 8.382 -5.842 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.276 7.693 -6.490 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.844 9.352 -6.328 1.00 0.00 O ATOM 0 H GLU A 38 -9.315 5.464 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.441 7.581 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.252 7.425 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.859 8.938 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.553 8.769 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.685 7.068 -4.342 1.00 0.00 H new ATOM 591 N LYS A 39 -11.615 6.694 -1.649 1.00 0.00 N ATOM 592 CA LYS A 39 -12.840 6.807 -0.871 1.00 0.00 C ATOM 593 C LYS A 39 -12.584 6.388 0.573 1.00 0.00 C ATOM 594 O LYS A 39 -13.174 6.936 1.504 1.00 0.00 O ATOM 595 CB LYS A 39 -13.942 5.939 -1.486 1.00 0.00 C ATOM 596 CG LYS A 39 -15.202 5.855 -0.641 1.00 0.00 C ATOM 597 CD LYS A 39 -15.091 4.767 0.415 1.00 0.00 C ATOM 598 CE LYS A 39 -16.453 4.190 0.767 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.019 4.813 1.995 1.00 0.00 N ATOM 0 H LYS A 39 -11.659 6.015 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.168 7.846 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.200 6.338 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.554 4.933 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.383 6.815 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.060 5.655 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.441 3.971 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.625 5.175 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.138 4.343 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.364 3.114 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.948 4.393 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.378 4.646 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.128 5.837 1.846 1.00 0.00 H new ATOM 613 N LYS A 40 -11.690 5.419 0.751 1.00 0.00 N ATOM 614 CA LYS A 40 -11.347 4.932 2.081 1.00 0.00 C ATOM 615 C LYS A 40 -10.439 5.926 2.796 1.00 0.00 C ATOM 616 O LYS A 40 -10.618 6.207 3.980 1.00 0.00 O ATOM 617 CB LYS A 40 -10.661 3.570 1.988 1.00 0.00 C ATOM 618 CG LYS A 40 -11.550 2.479 1.416 1.00 0.00 C ATOM 619 CD LYS A 40 -12.431 1.860 2.489 1.00 0.00 C ATOM 620 CE LYS A 40 -13.759 2.590 2.611 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.130 2.833 4.034 1.00 0.00 N ATOM 0 H LYS A 40 -11.191 4.957 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.267 4.824 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.770 3.663 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.328 3.272 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.175 2.894 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.932 1.706 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.612 0.811 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.911 1.886 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.700 3.542 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.541 2.005 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.041 3.333 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.211 1.923 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.397 3.413 4.490 1.00 0.00 H new ATOM 635 N ILE A 41 -9.464 6.458 2.064 1.00 0.00 N ATOM 636 CA ILE A 41 -8.526 7.424 2.623 1.00 0.00 C ATOM 637 C ILE A 41 -9.198 8.776 2.848 1.00 0.00 C ATOM 638 O ILE A 41 -8.790 9.546 3.716 1.00 0.00 O ATOM 639 CB ILE A 41 -7.304 7.615 1.703 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.638 6.268 1.415 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.307 8.579 2.331 1.00 0.00 C ATOM 642 CD1 ILE A 41 -6.039 6.174 0.029 1.00 0.00 C ATOM 0 H ILE A 41 -9.304 6.235 1.082 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.192 7.025 3.581 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.646 8.041 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.855 6.094 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.374 5.474 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.451 8.701 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.785 9.546 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.970 8.181 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.584 5.192 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.822 6.316 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.279 6.946 -0.092 1.00 0.00 H new ATOM 654 N LYS A 42 -10.232 9.060 2.059 1.00 0.00 N ATOM 655 CA LYS A 42 -10.960 10.322 2.172 1.00 0.00 C ATOM 656 C LYS A 42 -11.411 10.573 3.608 1.00 0.00 C ATOM 657 O LYS A 42 -11.585 11.719 4.022 1.00 0.00 O ATOM 658 CB LYS A 42 -12.166 10.320 1.239 1.00 0.00 C ATOM 659 CG LYS A 42 -12.378 11.640 0.516 1.00 0.00 C ATOM 660 CD LYS A 42 -12.959 11.431 -0.876 1.00 0.00 C ATOM 661 CE LYS A 42 -14.299 12.133 -1.033 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.452 12.743 -2.383 1.00 0.00 N ATOM 0 H LYS A 42 -10.584 8.434 1.335 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.284 11.127 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.043 9.527 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.060 10.083 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.048 12.271 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.428 12.169 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.260 11.808 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.082 10.364 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.105 11.419 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.394 12.907 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.378 13.211 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.698 13.443 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.387 12.001 -3.109 1.00 0.00 H new ATOM 676 N GLU A 43 -11.599 9.495 4.363 1.00 0.00 N ATOM 677 CA GLU A 43 -12.028 9.599 5.750 1.00 0.00 C ATOM 678 C GLU A 43 -11.026 8.926 6.683 1.00 0.00 C ATOM 679 O GLU A 43 -10.695 9.456 7.743 1.00 0.00 O ATOM 680 CB GLU A 43 -13.411 8.969 5.928 1.00 0.00 C ATOM 681 CG GLU A 43 -14.470 9.563 5.013 1.00 0.00 C ATOM 682 CD GLU A 43 -15.673 8.655 4.849 1.00 0.00 C ATOM 683 OE1 GLU A 43 -16.129 8.085 5.862 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.159 8.514 3.706 1.00 0.00 O ATOM 0 H GLU A 43 -11.460 8.539 4.035 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.083 10.657 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.340 7.897 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.727 9.092 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.796 10.523 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.031 9.759 4.035 1.00 0.00 H new ATOM 691 N LEU A 44 -10.543 7.756 6.278 1.00 0.00 N ATOM 692 CA LEU A 44 -9.577 7.009 7.076 1.00 0.00 C ATOM 693 C LEU A 44 -8.156 7.489 6.796 1.00 0.00 C ATOM 694 O LEU A 44 -7.798 7.763 5.651 1.00 0.00 O ATOM 695 CB LEU A 44 -9.695 5.510 6.785 1.00 0.00 C ATOM 696 CG LEU A 44 -9.938 4.629 8.011 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.797 4.773 9.005 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.265 4.983 8.666 1.00 0.00 C ATOM 0 H LEU A 44 -10.805 7.304 5.402 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.797 7.183 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.511 5.356 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.781 5.178 6.294 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.981 3.590 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.987 4.139 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.862 4.471 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.723 5.812 9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.422 4.347 9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.250 6.027 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.075 4.829 7.953 1.00 0.00 H new ATOM 710 N PHE A 45 -7.350 7.585 7.849 1.00 0.00 N ATOM 711 CA PHE A 45 -5.968 8.030 7.714 1.00 0.00 C ATOM 712 C PHE A 45 -5.008 6.849 7.808 1.00 0.00 C ATOM 713 O PHE A 45 -4.721 6.356 8.899 1.00 0.00 O ATOM 714 CB PHE A 45 -5.634 9.060 8.793 1.00 0.00 C ATOM 715 CG PHE A 45 -4.310 9.739 8.585 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.125 9.063 8.823 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.251 11.053 8.150 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.905 9.684 8.632 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.036 11.680 7.957 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.860 10.994 8.198 1.00 0.00 C ATOM 0 H PHE A 45 -7.630 7.361 8.804 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.854 8.493 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.420 9.815 8.819 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.632 8.568 9.766 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.154 8.038 9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.166 11.593 7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.988 9.145 8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.004 12.705 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.908 11.482 8.047 1.00 0.00 H new ATOM 730 N PHE A 46 -4.513 6.401 6.658 1.00 0.00 N ATOM 731 CA PHE A 46 -3.585 5.276 6.616 1.00 0.00 C ATOM 732 C PHE A 46 -2.136 5.762 6.602 1.00 0.00 C ATOM 733 O PHE A 46 -1.724 6.471 5.685 1.00 0.00 O ATOM 734 CB PHE A 46 -3.842 4.415 5.378 1.00 0.00 C ATOM 735 CG PHE A 46 -5.248 3.900 5.276 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.848 3.261 6.349 1.00 0.00 C ATOM 737 CD2 PHE A 46 -5.969 4.054 4.104 1.00 0.00 C ATOM 738 CE1 PHE A 46 -7.141 2.785 6.254 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.263 3.580 4.002 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.850 2.946 5.079 1.00 0.00 C ATOM 0 H PHE A 46 -4.738 6.798 5.746 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.749 4.678 7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.614 5.000 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.155 3.569 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.298 3.134 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.515 4.551 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.597 2.288 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.814 3.705 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.862 2.576 5.003 1.00 0.00 H new ATOM 750 N PRO A 47 -1.335 5.372 7.609 1.00 0.00 N ATOM 751 CA PRO A 47 0.074 5.761 7.687 1.00 0.00 C ATOM 752 C PRO A 47 0.926 5.006 6.672 1.00 0.00 C ATOM 753 O PRO A 47 2.083 5.354 6.431 1.00 0.00 O ATOM 754 CB PRO A 47 0.470 5.370 9.111 1.00 0.00 C ATOM 755 CG PRO A 47 -0.435 4.241 9.454 1.00 0.00 C ATOM 756 CD PRO A 47 -1.732 4.512 8.739 1.00 0.00 C ATOM 0 HA PRO A 47 0.225 6.818 7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.516 5.069 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.343 6.204 9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.008 3.289 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.590 4.179 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.200 3.590 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.451 5.011 9.389 1.00 0.00 H new ATOM 764 N VAL A 48 0.345 3.968 6.079 1.00 0.00 N ATOM 765 CA VAL A 48 1.040 3.159 5.092 1.00 0.00 C ATOM 766 C VAL A 48 0.063 2.534 4.102 1.00 0.00 C ATOM 767 O VAL A 48 -0.972 1.996 4.491 1.00 0.00 O ATOM 768 CB VAL A 48 1.835 2.033 5.770 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.945 1.528 4.863 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.391 2.516 7.092 1.00 0.00 C ATOM 0 H VAL A 48 -0.611 3.668 6.269 1.00 0.00 H new ATOM 0 HA VAL A 48 1.721 3.822 4.559 1.00 0.00 H new ATOM 0 HB VAL A 48 1.162 1.197 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.492 0.731 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.513 1.143 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.627 2.347 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.953 1.711 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.050 3.367 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.571 2.818 7.743 1.00 0.00 H new ATOM 780 N ILE A 49 0.409 2.599 2.825 1.00 0.00 N ATOM 781 CA ILE A 49 -0.412 2.027 1.765 1.00 0.00 C ATOM 782 C ILE A 49 0.348 0.898 1.082 1.00 0.00 C ATOM 783 O ILE A 49 1.570 0.805 1.210 1.00 0.00 O ATOM 784 CB ILE A 49 -0.806 3.083 0.713 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.215 4.392 1.391 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.934 2.559 -0.164 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.323 4.230 2.408 1.00 0.00 C ATOM 0 H ILE A 49 1.263 3.048 2.494 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.326 1.647 2.222 1.00 0.00 H new ATOM 0 HB ILE A 49 0.060 3.283 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.343 4.824 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.535 5.101 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.202 3.315 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.607 1.653 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.802 2.333 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.559 5.200 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.210 3.828 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.000 3.546 3.193 1.00 0.00 H new ATOM 799 N VAL A 50 -0.360 0.034 0.361 1.00 0.00 N ATOM 800 CA VAL A 50 0.288 -1.080 -0.319 1.00 0.00 C ATOM 801 C VAL A 50 -0.451 -1.468 -1.588 1.00 0.00 C ATOM 802 O VAL A 50 -1.399 -2.252 -1.560 1.00 0.00 O ATOM 803 CB VAL A 50 0.396 -2.310 0.598 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.110 -3.453 -0.111 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.116 -1.939 1.878 1.00 0.00 C ATOM 0 H VAL A 50 -1.371 0.083 0.234 1.00 0.00 H new ATOM 0 HA VAL A 50 1.290 -0.742 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.610 -2.648 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.175 -4.312 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.553 -3.730 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.114 -3.136 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.188 -2.815 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.117 -1.579 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.561 -1.155 2.393 1.00 0.00 H new ATOM 815 N LEU A 51 0.002 -0.917 -2.700 1.00 0.00 N ATOM 816 CA LEU A 51 -0.600 -1.200 -3.997 1.00 0.00 C ATOM 817 C LEU A 51 -0.142 -2.565 -4.507 1.00 0.00 C ATOM 818 O LEU A 51 0.746 -3.187 -3.925 1.00 0.00 O ATOM 819 CB LEU A 51 -0.232 -0.105 -5.001 1.00 0.00 C ATOM 820 CG LEU A 51 -1.113 -0.032 -6.252 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.587 -0.072 -5.877 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.798 1.225 -7.048 1.00 0.00 C ATOM 0 H LEU A 51 0.788 -0.268 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.684 -1.218 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.273 0.858 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.801 -0.256 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.898 -0.900 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.194 -0.019 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.803 -1.001 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.822 0.775 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.432 1.263 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.985 2.103 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.249 1.211 -7.351 1.00 0.00 H new ATOM 834 N ASP A 52 -0.755 -3.027 -5.589 1.00 0.00 N ATOM 835 CA ASP A 52 -0.410 -4.323 -6.167 1.00 0.00 C ATOM 836 C ASP A 52 -0.390 -4.265 -7.690 1.00 0.00 C ATOM 837 O ASP A 52 0.541 -4.760 -8.326 1.00 0.00 O ATOM 838 CB ASP A 52 -1.401 -5.392 -5.700 1.00 0.00 C ATOM 839 CG ASP A 52 -0.780 -6.775 -5.656 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.336 -6.907 -5.114 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.412 -7.724 -6.164 1.00 0.00 O ATOM 0 H ASP A 52 -1.492 -2.526 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 52 0.591 -4.584 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.772 -5.131 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.261 -5.404 -6.370 1.00 0.00 H new ATOM 846 N VAL A 53 -1.420 -3.663 -8.273 1.00 0.00 N ATOM 847 CA VAL A 53 -1.515 -3.545 -9.723 1.00 0.00 C ATOM 848 C VAL A 53 -1.687 -4.914 -10.379 1.00 0.00 C ATOM 849 O VAL A 53 -1.102 -5.191 -11.426 1.00 0.00 O ATOM 850 CB VAL A 53 -0.267 -2.857 -10.314 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.465 -2.561 -11.793 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.053 -1.584 -9.547 1.00 0.00 C ATOM 0 H VAL A 53 -2.201 -3.249 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.392 -2.933 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 53 0.579 -3.537 -10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.427 -2.076 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.640 -3.493 -12.330 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.324 -1.902 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.936 -1.112 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.792 -0.899 -9.611 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.245 -1.827 -8.502 1.00 0.00 H new ATOM 862 N TRP A 54 -2.497 -5.768 -9.759 1.00 0.00 N ATOM 863 CA TRP A 54 -2.748 -7.104 -10.291 1.00 0.00 C ATOM 864 C TRP A 54 -3.313 -7.019 -11.706 1.00 0.00 C ATOM 865 O TRP A 54 -2.590 -7.201 -12.687 1.00 0.00 O ATOM 866 CB TRP A 54 -3.712 -7.868 -9.376 1.00 0.00 C ATOM 867 CG TRP A 54 -4.129 -9.200 -9.923 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.405 -9.665 -10.062 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.268 -10.240 -10.402 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.390 -10.930 -10.600 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.090 -11.304 -10.817 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.882 -10.373 -10.522 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.572 -12.485 -11.343 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.368 -11.546 -11.044 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.211 -12.587 -11.449 1.00 0.00 C ATOM 0 H TRP A 54 -2.989 -5.560 -8.890 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.802 -7.644 -10.330 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.239 -8.015 -8.405 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.600 -7.259 -9.208 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.296 -9.119 -9.789 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.213 -11.498 -10.804 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.224 -9.574 -10.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.220 -13.290 -11.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.298 -11.661 -11.141 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.779 -13.490 -11.854 1.00 0.00 H new ATOM 886 N MET A 55 -4.607 -6.728 -11.808 1.00 0.00 N ATOM 887 CA MET A 55 -5.262 -6.602 -13.103 1.00 0.00 C ATOM 888 C MET A 55 -6.391 -5.571 -13.050 1.00 0.00 C ATOM 889 O MET A 55 -7.518 -5.853 -13.454 1.00 0.00 O ATOM 890 CB MET A 55 -5.811 -7.960 -13.552 1.00 0.00 C ATOM 891 CG MET A 55 -4.823 -8.778 -14.366 1.00 0.00 C ATOM 892 SD MET A 55 -5.132 -8.677 -16.140 1.00 0.00 S ATOM 893 CE MET A 55 -6.730 -9.474 -16.253 1.00 0.00 C ATOM 0 H MET A 55 -5.221 -6.575 -11.008 1.00 0.00 H new ATOM 0 HA MET A 55 -4.521 -6.259 -13.825 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.105 -8.532 -12.672 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.712 -7.800 -14.144 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.811 -8.431 -14.157 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.874 -9.820 -14.051 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.832 -9.948 -17.229 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.816 -10.230 -15.472 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.517 -8.731 -16.126 1.00 0.00 H new ATOM 903 N PRO A 56 -6.105 -4.352 -12.547 1.00 0.00 N ATOM 904 CA PRO A 56 -7.093 -3.284 -12.440 1.00 0.00 C ATOM 905 C PRO A 56 -7.174 -2.449 -13.716 1.00 0.00 C ATOM 906 O PRO A 56 -6.837 -2.923 -14.800 1.00 0.00 O ATOM 907 CB PRO A 56 -6.569 -2.434 -11.266 1.00 0.00 C ATOM 908 CG PRO A 56 -5.219 -2.985 -10.913 1.00 0.00 C ATOM 909 CD PRO A 56 -4.813 -3.900 -12.034 1.00 0.00 C ATOM 0 HA PRO A 56 -8.102 -3.667 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.498 -1.384 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.246 -2.490 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.494 -2.180 -10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.258 -3.526 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.233 -3.379 -12.795 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.202 -4.731 -11.681 1.00 0.00 H new ATOM 917 N ASP A 57 -7.622 -1.205 -13.578 1.00 0.00 N ATOM 918 CA ASP A 57 -7.743 -0.306 -14.719 1.00 0.00 C ATOM 919 C ASP A 57 -7.515 1.143 -14.300 1.00 0.00 C ATOM 920 O ASP A 57 -8.182 2.055 -14.791 1.00 0.00 O ATOM 921 CB ASP A 57 -9.122 -0.452 -15.365 1.00 0.00 C ATOM 922 CG ASP A 57 -9.400 -1.870 -15.823 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.851 -2.275 -16.869 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.166 -2.576 -15.134 1.00 0.00 O ATOM 0 H ASP A 57 -7.907 -0.797 -12.688 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.978 -0.578 -15.446 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.888 -0.147 -14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.194 0.223 -16.218 1.00 0.00 H new ATOM 929 N GLY A 58 -6.569 1.349 -13.390 1.00 0.00 N ATOM 930 CA GLY A 58 -6.268 2.690 -12.921 1.00 0.00 C ATOM 931 C GLY A 58 -4.781 2.986 -12.924 1.00 0.00 C ATOM 932 O GLY A 58 -3.963 2.083 -13.100 1.00 0.00 O ATOM 0 H GLY A 58 -6.005 0.611 -12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.781 3.416 -13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.658 2.814 -11.911 1.00 0.00 H new ATOM 936 N ASP A 59 -4.431 4.254 -12.731 1.00 0.00 N ATOM 937 CA ASP A 59 -3.033 4.667 -12.714 1.00 0.00 C ATOM 938 C ASP A 59 -2.582 4.997 -11.293 1.00 0.00 C ATOM 939 O ASP A 59 -3.024 5.984 -10.704 1.00 0.00 O ATOM 940 CB ASP A 59 -2.824 5.877 -13.627 1.00 0.00 C ATOM 941 CG ASP A 59 -1.988 5.542 -14.848 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.792 5.227 -14.679 1.00 0.00 O ATOM 943 OD2 ASP A 59 -2.531 5.597 -15.972 1.00 0.00 O ATOM 0 H ASP A 59 -5.097 5.013 -12.584 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.429 3.838 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.793 6.259 -13.947 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.338 6.674 -13.064 1.00 0.00 H new ATOM 948 N GLY A 60 -1.698 4.166 -10.750 1.00 0.00 N ATOM 949 CA GLY A 60 -1.202 4.384 -9.405 1.00 0.00 C ATOM 950 C GLY A 60 -0.088 5.412 -9.350 1.00 0.00 C ATOM 951 O GLY A 60 0.197 5.969 -8.290 1.00 0.00 O ATOM 0 H GLY A 60 -1.316 3.345 -11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.024 4.711 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.840 3.440 -8.999 1.00 0.00 H new ATOM 955 N VAL A 61 0.546 5.665 -10.493 1.00 0.00 N ATOM 956 CA VAL A 61 1.633 6.628 -10.571 1.00 0.00 C ATOM 957 C VAL A 61 1.219 7.981 -9.999 1.00 0.00 C ATOM 958 O VAL A 61 1.932 8.567 -9.184 1.00 0.00 O ATOM 959 CB VAL A 61 2.099 6.820 -12.024 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.369 7.646 -12.069 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.308 5.476 -12.704 1.00 0.00 C ATOM 0 H VAL A 61 0.322 5.212 -11.379 1.00 0.00 H new ATOM 0 HA VAL A 61 2.455 6.227 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 61 1.320 7.357 -12.566 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.685 7.772 -13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.183 8.624 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.154 7.137 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.637 5.635 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.066 4.909 -12.164 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.371 4.919 -12.706 1.00 0.00 H new ATOM 971 N ASN A 62 0.062 8.471 -10.431 1.00 0.00 N ATOM 972 CA ASN A 62 -0.447 9.754 -9.962 1.00 0.00 C ATOM 973 C ASN A 62 -1.123 9.618 -8.597 1.00 0.00 C ATOM 974 O ASN A 62 -1.388 10.615 -7.927 1.00 0.00 O ATOM 975 CB ASN A 62 -1.434 10.334 -10.979 1.00 0.00 C ATOM 976 CG ASN A 62 -1.031 11.717 -11.453 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.680 12.712 -11.127 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.046 11.787 -12.227 1.00 0.00 N ATOM 0 H ASN A 62 -0.541 7.999 -11.105 1.00 0.00 H new ATOM 0 HA ASN A 62 0.400 10.432 -9.855 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.503 9.665 -11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.427 10.381 -10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.365 12.691 -12.576 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.554 10.937 -12.472 1.00 0.00 H new ATOM 985 N PHE A 63 -1.406 8.381 -8.192 1.00 0.00 N ATOM 986 CA PHE A 63 -2.055 8.130 -6.911 1.00 0.00 C ATOM 987 C PHE A 63 -1.100 8.389 -5.747 1.00 0.00 C ATOM 988 O PHE A 63 -1.506 8.900 -4.703 1.00 0.00 O ATOM 989 CB PHE A 63 -2.573 6.692 -6.844 1.00 0.00 C ATOM 990 CG PHE A 63 -3.268 6.370 -5.552 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.375 7.098 -5.148 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.811 5.346 -4.740 1.00 0.00 C ATOM 993 CE1 PHE A 63 -5.013 6.810 -3.958 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.446 5.053 -3.548 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.548 5.787 -3.156 1.00 0.00 C ATOM 0 H PHE A 63 -1.196 7.541 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.896 8.818 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.262 6.523 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.737 6.006 -6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.743 7.900 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.949 4.770 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.876 7.385 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.081 4.251 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.045 5.561 -2.224 1.00 0.00 H new ATOM 1005 N ILE A 64 0.168 8.031 -5.931 1.00 0.00 N ATOM 1006 CA ILE A 64 1.177 8.223 -4.891 1.00 0.00 C ATOM 1007 C ILE A 64 1.112 9.634 -4.309 1.00 0.00 C ATOM 1008 O ILE A 64 1.444 9.850 -3.144 1.00 0.00 O ATOM 1009 CB ILE A 64 2.599 7.957 -5.430 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.699 6.532 -5.984 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.638 8.179 -4.339 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.147 6.474 -7.427 1.00 0.00 C ATOM 0 H ILE A 64 0.522 7.607 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 64 0.958 7.503 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 64 2.798 8.660 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.398 5.961 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.727 6.047 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.633 7.986 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.582 9.209 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.444 7.501 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.195 5.435 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.436 7.016 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.133 6.929 -7.520 1.00 0.00 H new ATOM 1024 N ASP A 65 0.672 10.587 -5.124 1.00 0.00 N ATOM 1025 CA ASP A 65 0.555 11.971 -4.680 1.00 0.00 C ATOM 1026 C ASP A 65 -0.691 12.150 -3.822 1.00 0.00 C ATOM 1027 O ASP A 65 -0.696 12.931 -2.871 1.00 0.00 O ATOM 1028 CB ASP A 65 0.509 12.916 -5.881 1.00 0.00 C ATOM 1029 CG ASP A 65 1.362 14.153 -5.677 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.572 14.001 -5.408 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.820 15.273 -5.785 1.00 0.00 O ATOM 0 H ASP A 65 0.392 10.427 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 65 1.431 12.215 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.850 12.386 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.523 13.216 -6.065 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.742 11.409 -4.156 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.990 11.474 -3.410 1.00 0.00 C ATOM 1038 C PHE A 66 -2.754 11.079 -1.957 1.00 0.00 C ATOM 1039 O PHE A 66 -3.322 11.670 -1.041 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.036 10.555 -4.047 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.322 10.472 -3.273 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -6.330 11.399 -3.476 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.520 9.463 -2.344 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -7.513 11.324 -2.767 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -6.701 9.382 -1.632 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.699 10.313 -1.843 1.00 0.00 C ATOM 0 H PHE A 66 -1.753 10.756 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.363 12.498 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.252 10.909 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.616 9.554 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.190 12.190 -4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.743 8.732 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.291 12.054 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.844 8.591 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.623 10.251 -1.287 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.898 10.081 -1.754 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.577 9.619 -0.412 1.00 0.00 C ATOM 1058 C ILE A 67 -0.962 10.753 0.403 1.00 0.00 C ATOM 1059 O ILE A 67 -1.345 10.987 1.548 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.609 8.412 -0.446 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.321 7.178 -1.005 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.057 8.118 0.943 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.454 7.181 -2.511 1.00 0.00 C ATOM 0 H ILE A 67 -1.417 9.580 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.505 9.296 0.059 1.00 0.00 H new ATOM 0 HB ILE A 67 0.227 8.664 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.775 6.285 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.315 7.111 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.621 7.266 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.483 8.990 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.880 7.888 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.969 6.275 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.026 8.054 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.463 7.215 -2.964 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.016 11.465 -0.201 1.00 0.00 N ATOM 1076 CA LYS A 68 0.636 12.583 0.467 1.00 0.00 C ATOM 1077 C LYS A 68 -0.267 13.813 0.453 1.00 0.00 C ATOM 1078 O LYS A 68 -0.143 14.697 1.301 1.00 0.00 O ATOM 1079 CB LYS A 68 1.970 12.904 -0.209 1.00 0.00 C ATOM 1080 CG LYS A 68 2.835 11.679 -0.462 1.00 0.00 C ATOM 1081 CD LYS A 68 4.273 11.909 -0.025 1.00 0.00 C ATOM 1082 CE LYS A 68 4.930 10.615 0.429 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.411 10.662 0.277 1.00 0.00 N ATOM 0 H LYS A 68 0.315 11.287 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 68 0.826 12.300 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.776 13.404 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.523 13.607 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.423 10.825 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.812 11.429 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.841 12.337 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.296 12.635 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.678 10.426 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.532 9.782 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.706 9.985 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.701 11.621 -0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.861 10.412 1.181 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.178 13.861 -0.516 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.106 14.977 -0.645 1.00 0.00 C ATOM 1099 C GLU A 69 -3.040 15.046 0.558 1.00 0.00 C ATOM 1100 O GLU A 69 -3.442 16.128 0.984 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.919 14.841 -1.931 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.730 16.080 -2.273 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.195 16.093 -3.716 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -3.350 15.890 -4.614 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.403 16.305 -3.949 1.00 0.00 O ATOM 0 H GLU A 69 -1.292 13.136 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.527 15.900 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.243 14.621 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.594 13.990 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.597 16.135 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.128 16.968 -2.081 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.382 13.882 1.100 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.273 13.805 2.254 1.00 0.00 C ATOM 1114 C ASN A 70 -3.692 12.901 3.341 1.00 0.00 C ATOM 1115 O ASN A 70 -4.409 12.455 4.237 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.658 13.295 1.834 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.625 12.482 0.552 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.336 13.147 -0.562 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -5.854 11.272 0.563 1.00 0.00 N flip ATOM 0 H ASN A 70 -3.056 12.978 0.759 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.374 14.811 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.073 12.684 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.328 14.145 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.072 10.802 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.826 10.740 -0.307 1.00 0.00 H new ATOM 1126 N SER A 71 -2.390 12.636 3.260 1.00 0.00 N ATOM 1127 CA SER A 71 -1.719 11.791 4.240 1.00 0.00 C ATOM 1128 C SER A 71 -0.201 11.912 4.109 1.00 0.00 C ATOM 1129 O SER A 71 0.471 10.977 3.674 1.00 0.00 O ATOM 1130 CB SER A 71 -2.153 10.332 4.068 1.00 0.00 C ATOM 1131 OG SER A 71 -2.985 9.919 5.138 1.00 0.00 O ATOM 0 H SER A 71 -1.780 12.995 2.525 1.00 0.00 H new ATOM 0 HA SER A 71 -2.005 12.127 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.685 10.216 3.124 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.273 9.691 4.019 1.00 0.00 H new ATOM 0 HG SER A 71 -2.721 10.388 5.957 1.00 0.00 H new ATOM 1137 N PRO A 72 0.359 13.074 4.484 1.00 0.00 N ATOM 1138 CA PRO A 72 1.800 13.322 4.408 1.00 0.00 C ATOM 1139 C PRO A 72 2.579 12.513 5.435 1.00 0.00 C ATOM 1140 O PRO A 72 3.788 12.319 5.309 1.00 0.00 O ATOM 1141 CB PRO A 72 1.938 14.826 4.694 1.00 0.00 C ATOM 1142 CG PRO A 72 0.549 15.375 4.658 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.363 14.237 5.010 1.00 0.00 C ATOM 0 HA PRO A 72 2.206 13.028 3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.402 14.999 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.569 15.310 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.437 16.196 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.313 15.771 3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.522 14.163 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.345 14.347 4.549 1.00 0.00 H new ATOM 1151 N ASP A 73 1.871 12.045 6.447 1.00 0.00 N ATOM 1152 CA ASP A 73 2.478 11.250 7.509 1.00 0.00 C ATOM 1153 C ASP A 73 2.243 9.762 7.274 1.00 0.00 C ATOM 1154 O ASP A 73 2.149 8.981 8.220 1.00 0.00 O ATOM 1155 CB ASP A 73 1.913 11.659 8.868 1.00 0.00 C ATOM 1156 CG ASP A 73 2.639 10.995 10.021 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.698 11.513 10.433 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.150 9.955 10.512 1.00 0.00 O ATOM 0 H ASP A 73 0.869 12.201 6.559 1.00 0.00 H new ATOM 0 HA ASP A 73 3.552 11.437 7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.981 12.742 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.855 11.400 8.911 1.00 0.00 H new ATOM 1163 N SER A 74 2.148 9.378 6.005 1.00 0.00 N ATOM 1164 CA SER A 74 1.921 7.983 5.642 1.00 0.00 C ATOM 1165 C SER A 74 3.127 7.416 4.893 1.00 0.00 C ATOM 1166 O SER A 74 4.217 7.985 4.940 1.00 0.00 O ATOM 1167 CB SER A 74 0.660 7.860 4.786 1.00 0.00 C ATOM 1168 OG SER A 74 0.401 6.510 4.443 1.00 0.00 O ATOM 0 H SER A 74 2.225 10.013 5.211 1.00 0.00 H new ATOM 0 HA SER A 74 1.784 7.407 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.192 8.270 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.775 8.453 3.878 1.00 0.00 H new ATOM 0 HG SER A 74 -0.529 6.290 4.661 1.00 0.00 H new ATOM 1174 N VAL A 75 2.925 6.302 4.191 1.00 0.00 N ATOM 1175 CA VAL A 75 4.000 5.686 3.426 1.00 0.00 C ATOM 1176 C VAL A 75 3.455 4.870 2.269 1.00 0.00 C ATOM 1177 O VAL A 75 2.478 4.153 2.418 1.00 0.00 O ATOM 1178 CB VAL A 75 4.876 4.766 4.286 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.060 4.281 3.461 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.337 5.486 5.542 1.00 0.00 C ATOM 0 H VAL A 75 2.032 5.813 4.138 1.00 0.00 H new ATOM 0 HA VAL A 75 4.608 6.511 3.053 1.00 0.00 H new ATOM 0 HB VAL A 75 4.292 3.902 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.684 3.627 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.697 3.731 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.647 5.137 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.957 4.817 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.917 6.366 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.469 5.792 6.125 1.00 0.00 H new ATOM 1190 N VAL A 76 4.082 5.004 1.113 1.00 0.00 N ATOM 1191 CA VAL A 76 3.633 4.284 -0.074 1.00 0.00 C ATOM 1192 C VAL A 76 4.618 3.195 -0.483 1.00 0.00 C ATOM 1193 O VAL A 76 5.722 3.480 -0.948 1.00 0.00 O ATOM 1194 CB VAL A 76 3.417 5.238 -1.265 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.616 4.549 -2.360 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.723 6.515 -0.813 1.00 0.00 C ATOM 0 H VAL A 76 4.898 5.599 0.968 1.00 0.00 H new ATOM 0 HA VAL A 76 2.683 3.820 0.192 1.00 0.00 H new ATOM 0 HB VAL A 76 4.392 5.508 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.473 5.237 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.156 3.667 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.645 4.249 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.580 7.174 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.754 6.268 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.337 7.018 -0.066 1.00 0.00 H new ATOM 1206 N ILE A 77 4.202 1.944 -0.313 1.00 0.00 N ATOM 1207 CA ILE A 77 5.035 0.803 -0.671 1.00 0.00 C ATOM 1208 C ILE A 77 4.452 0.067 -1.875 1.00 0.00 C ATOM 1209 O ILE A 77 4.403 -1.162 -1.903 1.00 0.00 O ATOM 1210 CB ILE A 77 5.179 -0.182 0.507 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.608 0.563 1.773 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.181 -1.278 0.164 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.987 1.179 1.676 1.00 0.00 C ATOM 0 H ILE A 77 3.291 1.695 0.071 1.00 0.00 H new ATOM 0 HA ILE A 77 6.022 1.191 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 77 4.211 -0.648 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.883 1.348 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.586 -0.128 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.271 -1.965 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.837 -1.824 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.153 -0.830 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.224 1.690 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.723 0.396 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.009 1.895 0.854 1.00 0.00 H new ATOM 1225 N VAL A 78 4.010 0.835 -2.869 1.00 0.00 N ATOM 1226 CA VAL A 78 3.425 0.277 -4.090 1.00 0.00 C ATOM 1227 C VAL A 78 4.229 -0.917 -4.604 1.00 0.00 C ATOM 1228 O VAL A 78 5.417 -0.797 -4.898 1.00 0.00 O ATOM 1229 CB VAL A 78 3.349 1.349 -5.197 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.675 0.797 -6.447 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.617 2.584 -4.693 1.00 0.00 C ATOM 0 H VAL A 78 4.046 1.854 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 78 2.420 -0.061 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 78 4.367 1.635 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.634 1.573 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.245 -0.053 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.663 0.475 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.573 3.330 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.605 2.311 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.148 2.997 -3.836 1.00 0.00 H new ATOM 1241 N ILE A 79 3.569 -2.067 -4.711 1.00 0.00 N ATOM 1242 CA ILE A 79 4.219 -3.281 -5.196 1.00 0.00 C ATOM 1243 C ILE A 79 3.510 -3.817 -6.434 1.00 0.00 C ATOM 1244 O ILE A 79 2.305 -3.635 -6.593 1.00 0.00 O ATOM 1245 CB ILE A 79 4.246 -4.390 -4.126 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.472 -3.792 -2.738 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.327 -5.409 -4.452 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.515 -4.824 -1.632 1.00 0.00 C ATOM 0 H ILE A 79 2.585 -2.184 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 79 5.245 -3.006 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 79 3.281 -4.896 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.409 -3.235 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.677 -3.077 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.336 -6.187 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.123 -5.857 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.298 -4.914 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.678 -4.326 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.569 -5.365 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.328 -5.525 -1.820 1.00 0.00 H new ATOM 1260 N THR A 80 4.262 -4.477 -7.308 1.00 0.00 N ATOM 1261 CA THR A 80 3.695 -5.038 -8.531 1.00 0.00 C ATOM 1262 C THR A 80 4.568 -6.168 -9.067 1.00 0.00 C ATOM 1263 O THR A 80 5.710 -6.339 -8.641 1.00 0.00 O ATOM 1264 CB THR A 80 3.539 -3.948 -9.593 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.804 -3.530 -10.072 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.809 -2.722 -9.092 1.00 0.00 C ATOM 0 H THR A 80 5.263 -4.637 -7.194 1.00 0.00 H new ATOM 0 HA THR A 80 2.712 -5.445 -8.293 1.00 0.00 H new ATOM 0 HB THR A 80 2.947 -4.403 -10.387 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.922 -3.837 -10.995 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.734 -1.990 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.809 -3.003 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.358 -2.288 -8.256 1.00 0.00 H new ATOM 1317 N VAL A 85 10.667 -3.795 -13.792 1.00 0.00 N ATOM 1318 CA VAL A 85 11.269 -2.842 -12.861 1.00 0.00 C ATOM 1319 C VAL A 85 11.231 -1.416 -13.408 1.00 0.00 C ATOM 1320 O VAL A 85 12.112 -0.607 -13.119 1.00 0.00 O ATOM 1321 CB VAL A 85 12.726 -3.218 -12.528 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.783 -4.572 -11.836 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.586 -3.217 -13.783 1.00 0.00 C ATOM 0 HA VAL A 85 10.673 -2.886 -11.949 1.00 0.00 H new ATOM 0 HB VAL A 85 13.125 -2.467 -11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.820 -4.821 -11.609 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.208 -4.532 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.362 -5.334 -12.492 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.610 -3.485 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.191 -3.941 -14.495 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.574 -2.224 -14.231 1.00 0.00 H new ATOM 1333 N ASP A 86 10.205 -1.117 -14.196 1.00 0.00 N ATOM 1334 CA ASP A 86 10.049 0.210 -14.781 1.00 0.00 C ATOM 1335 C ASP A 86 8.854 0.944 -14.176 1.00 0.00 C ATOM 1336 O ASP A 86 8.685 2.145 -14.386 1.00 0.00 O ATOM 1337 CB ASP A 86 9.884 0.106 -16.299 1.00 0.00 C ATOM 1338 CG ASP A 86 8.705 -0.760 -16.695 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.812 -0.971 -15.847 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.672 -1.226 -17.853 1.00 0.00 O ATOM 0 H ASP A 86 9.468 -1.776 -14.445 1.00 0.00 H new ATOM 0 HA ASP A 86 10.950 0.782 -14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.754 1.104 -16.717 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.795 -0.305 -16.733 1.00 0.00 H new ATOM 1345 N THR A 87 8.038 0.225 -13.407 1.00 0.00 N ATOM 1346 CA THR A 87 6.879 0.829 -12.762 1.00 0.00 C ATOM 1347 C THR A 87 7.280 1.369 -11.397 1.00 0.00 C ATOM 1348 O THR A 87 6.808 2.422 -10.967 1.00 0.00 O ATOM 1349 CB THR A 87 5.737 -0.188 -12.630 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.488 0.474 -12.550 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.853 -1.091 -11.418 1.00 0.00 C ATOM 0 H THR A 87 8.159 -0.770 -13.218 1.00 0.00 H new ATOM 0 HA THR A 87 6.520 1.653 -13.379 1.00 0.00 H new ATOM 0 HB THR A 87 5.808 -0.808 -13.524 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.771 -0.189 -12.468 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.009 -1.781 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.783 -1.657 -11.474 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.851 -0.486 -10.512 1.00 0.00 H new ATOM 1359 N ALA A 88 8.172 0.644 -10.730 1.00 0.00 N ATOM 1360 CA ALA A 88 8.664 1.051 -9.422 1.00 0.00 C ATOM 1361 C ALA A 88 9.288 2.431 -9.513 1.00 0.00 C ATOM 1362 O ALA A 88 8.863 3.369 -8.841 1.00 0.00 O ATOM 1363 CB ALA A 88 9.681 0.047 -8.907 1.00 0.00 C ATOM 0 H ALA A 88 8.569 -0.230 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 88 7.827 1.086 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.041 0.363 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.213 -0.934 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.520 -0.010 -9.601 1.00 0.00 H new ATOM 1369 N VAL A 89 10.293 2.546 -10.373 1.00 0.00 N ATOM 1370 CA VAL A 89 10.979 3.810 -10.588 1.00 0.00 C ATOM 1371 C VAL A 89 9.983 4.903 -10.972 1.00 0.00 C ATOM 1372 O VAL A 89 10.212 6.087 -10.726 1.00 0.00 O ATOM 1373 CB VAL A 89 12.042 3.681 -11.698 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.041 2.586 -11.355 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.388 3.404 -13.045 1.00 0.00 C ATOM 0 H VAL A 89 10.651 1.773 -10.935 1.00 0.00 H new ATOM 0 HA VAL A 89 11.472 4.079 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 89 12.577 4.628 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.784 2.509 -12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.538 2.828 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.518 1.635 -11.254 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.158 3.317 -13.812 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.823 2.473 -12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.715 4.223 -13.298 1.00 0.00 H new ATOM 1385 N LYS A 90 8.873 4.487 -11.577 1.00 0.00 N ATOM 1386 CA LYS A 90 7.830 5.411 -12.005 1.00 0.00 C ATOM 1387 C LYS A 90 6.904 5.775 -10.842 1.00 0.00 C ATOM 1388 O LYS A 90 6.210 6.790 -10.888 1.00 0.00 O ATOM 1389 CB LYS A 90 7.023 4.782 -13.145 1.00 0.00 C ATOM 1390 CG LYS A 90 5.785 5.570 -13.542 1.00 0.00 C ATOM 1391 CD LYS A 90 5.033 4.881 -14.669 1.00 0.00 C ATOM 1392 CE LYS A 90 4.379 3.592 -14.196 1.00 0.00 C ATOM 1393 NZ LYS A 90 3.233 3.201 -15.062 1.00 0.00 N ATOM 0 H LYS A 90 8.674 3.508 -11.782 1.00 0.00 H new ATOM 0 HA LYS A 90 8.303 6.328 -12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.668 4.678 -14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.721 3.777 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.129 5.681 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.074 6.573 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.271 5.553 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.720 4.663 -15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.118 2.791 -14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.033 3.716 -13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.020 2.193 -14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.399 3.769 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.478 3.368 -16.059 1.00 0.00 H new ATOM 1407 N ALA A 91 6.895 4.940 -9.806 1.00 0.00 N ATOM 1408 CA ALA A 91 6.049 5.178 -8.643 1.00 0.00 C ATOM 1409 C ALA A 91 6.843 5.782 -7.488 1.00 0.00 C ATOM 1410 O ALA A 91 6.359 6.673 -6.790 1.00 0.00 O ATOM 1411 CB ALA A 91 5.383 3.883 -8.204 1.00 0.00 C ATOM 0 H ALA A 91 7.463 4.095 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 91 5.281 5.896 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.754 4.074 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.770 3.495 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.147 3.150 -7.945 1.00 0.00 H new ATOM 1417 N ILE A 92 8.061 5.291 -7.289 1.00 0.00 N ATOM 1418 CA ILE A 92 8.914 5.782 -6.212 1.00 0.00 C ATOM 1419 C ILE A 92 9.366 7.214 -6.482 1.00 0.00 C ATOM 1420 O ILE A 92 9.564 7.998 -5.554 1.00 0.00 O ATOM 1421 CB ILE A 92 10.149 4.876 -6.008 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.156 5.065 -7.147 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.721 3.418 -5.911 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.374 4.172 -7.037 1.00 0.00 C ATOM 0 H ILE A 92 8.480 4.555 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 92 8.319 5.764 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 92 10.635 5.161 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.658 4.870 -8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.480 6.106 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.600 2.790 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.044 3.293 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.213 3.126 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.041 4.362 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.897 4.383 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.062 3.128 -7.050 1.00 0.00 H new ATOM 1436 N LYS A 93 9.521 7.549 -7.757 1.00 0.00 N ATOM 1437 CA LYS A 93 9.941 8.888 -8.148 1.00 0.00 C ATOM 1438 C LYS A 93 8.876 9.916 -7.780 1.00 0.00 C ATOM 1439 O LYS A 93 9.180 11.089 -7.566 1.00 0.00 O ATOM 1440 CB LYS A 93 10.221 8.941 -9.651 1.00 0.00 C ATOM 1441 CG LYS A 93 10.867 10.241 -10.104 1.00 0.00 C ATOM 1442 CD LYS A 93 12.055 9.987 -11.017 1.00 0.00 C ATOM 1443 CE LYS A 93 13.367 10.059 -10.255 1.00 0.00 C ATOM 1444 NZ LYS A 93 13.607 11.415 -9.689 1.00 0.00 N ATOM 0 H LYS A 93 9.362 6.912 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 93 10.857 9.128 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.871 8.109 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.285 8.802 -10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.130 10.851 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.192 10.809 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.956 9.006 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.060 10.721 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.359 9.325 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.188 9.793 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.630 11.575 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.203 12.133 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.156 11.486 -8.755 1.00 0.00 H new ATOM 1458 N LYS A 94 7.628 9.465 -7.709 1.00 0.00 N ATOM 1459 CA LYS A 94 6.517 10.344 -7.366 1.00 0.00 C ATOM 1460 C LYS A 94 6.534 10.690 -5.882 1.00 0.00 C ATOM 1461 O LYS A 94 6.623 11.861 -5.511 1.00 0.00 O ATOM 1462 CB LYS A 94 5.189 9.686 -7.733 1.00 0.00 C ATOM 1463 CG LYS A 94 4.945 9.609 -9.231 1.00 0.00 C ATOM 1464 CD LYS A 94 4.647 10.979 -9.817 1.00 0.00 C ATOM 1465 CE LYS A 94 4.822 10.988 -11.327 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.088 10.326 -11.743 1.00 0.00 N ATOM 0 H LYS A 94 7.361 8.496 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 94 6.627 11.267 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.164 8.679 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.376 10.243 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.821 9.185 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.110 8.937 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.627 11.269 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.309 11.720 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.977 10.481 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.815 12.017 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.325 10.610 -12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.856 10.611 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.969 9.294 -11.703 1.00 0.00 H new ATOM 1480 N GLY A 95 6.448 9.668 -5.035 1.00 0.00 N ATOM 1481 CA GLY A 95 6.456 9.901 -3.603 1.00 0.00 C ATOM 1482 C GLY A 95 6.380 8.623 -2.785 1.00 0.00 C ATOM 1483 O GLY A 95 5.836 8.625 -1.682 1.00 0.00 O ATOM 0 H GLY A 95 6.373 8.689 -5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.364 10.442 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.614 10.542 -3.342 1.00 0.00 H new ATOM 1487 N ALA A 96 6.934 7.534 -3.312 1.00 0.00 N ATOM 1488 CA ALA A 96 6.926 6.264 -2.598 1.00 0.00 C ATOM 1489 C ALA A 96 8.169 6.136 -1.726 1.00 0.00 C ATOM 1490 O ALA A 96 8.857 7.124 -1.467 1.00 0.00 O ATOM 1491 CB ALA A 96 6.820 5.096 -3.570 1.00 0.00 C ATOM 0 H ALA A 96 7.390 7.507 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 96 6.050 6.240 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.816 4.159 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.897 5.182 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.672 5.110 -4.250 1.00 0.00 H new ATOM 1497 N TYR A 97 8.455 4.923 -1.268 1.00 0.00 N ATOM 1498 CA TYR A 97 9.618 4.692 -0.419 1.00 0.00 C ATOM 1499 C TYR A 97 10.742 4.002 -1.185 1.00 0.00 C ATOM 1500 O TYR A 97 11.905 4.099 -0.800 1.00 0.00 O ATOM 1501 CB TYR A 97 9.214 3.881 0.823 1.00 0.00 C ATOM 1502 CG TYR A 97 10.325 3.033 1.407 1.00 0.00 C ATOM 1503 CD1 TYR A 97 11.341 3.606 2.161 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.353 1.659 1.203 1.00 0.00 C ATOM 1505 CE1 TYR A 97 12.354 2.834 2.696 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.364 0.880 1.735 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.361 1.472 2.480 1.00 0.00 C ATOM 1508 OH TYR A 97 13.369 0.699 3.011 1.00 0.00 O ATOM 0 H TYR A 97 7.902 4.089 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 97 9.999 5.660 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.857 4.568 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.378 3.232 0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.339 4.672 2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.573 1.192 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.137 3.295 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.372 -0.187 1.568 1.00 0.00 H new ATOM 0 HH TYR A 97 13.833 0.226 2.289 1.00 0.00 H new ATOM 1518 N GLU A 98 10.377 3.328 -2.276 1.00 0.00 N ATOM 1519 CA GLU A 98 11.335 2.613 -3.142 1.00 0.00 C ATOM 1520 C GLU A 98 10.736 1.325 -3.708 1.00 0.00 C ATOM 1521 O GLU A 98 11.465 0.474 -4.218 1.00 0.00 O ATOM 1522 CB GLU A 98 12.631 2.261 -2.400 1.00 0.00 C ATOM 1523 CG GLU A 98 12.407 1.471 -1.120 1.00 0.00 C ATOM 1524 CD GLU A 98 13.200 0.178 -1.084 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.156 -0.572 -2.082 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.864 -0.082 -0.060 1.00 0.00 O ATOM 0 H GLU A 98 9.409 3.258 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 98 11.564 3.298 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.275 1.684 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.163 3.181 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.685 2.087 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.346 1.245 -1.019 1.00 0.00 H new ATOM 1533 N PHE A 99 9.416 1.175 -3.623 1.00 0.00 N ATOM 1534 CA PHE A 99 8.759 -0.022 -4.134 1.00 0.00 C ATOM 1535 C PHE A 99 9.243 -1.261 -3.388 1.00 0.00 C ATOM 1536 O PHE A 99 10.274 -1.227 -2.714 1.00 0.00 O ATOM 1537 CB PHE A 99 9.033 -0.174 -5.632 1.00 0.00 C ATOM 1538 CG PHE A 99 7.790 -0.257 -6.470 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.902 0.805 -6.523 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.513 -1.395 -7.211 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.761 0.733 -7.300 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.373 -1.474 -7.988 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.496 -0.408 -8.033 1.00 0.00 C ATOM 0 H PHE A 99 8.786 1.862 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 99 7.685 0.081 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.632 0.672 -5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.629 -1.072 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.103 1.699 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.197 -2.231 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.077 1.568 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.168 -2.368 -8.559 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.605 -0.466 -8.640 1.00 0.00 H new ATOM 1553 N LEU A 100 8.499 -2.354 -3.512 1.00 0.00 N ATOM 1554 CA LEU A 100 8.855 -3.600 -2.853 1.00 0.00 C ATOM 1555 C LEU A 100 9.365 -4.619 -3.868 1.00 0.00 C ATOM 1556 O LEU A 100 8.580 -5.306 -4.522 1.00 0.00 O ATOM 1557 CB LEU A 100 7.645 -4.160 -2.103 1.00 0.00 C ATOM 1558 CG LEU A 100 7.977 -5.136 -0.979 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.814 -6.287 -1.509 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.704 -4.417 0.147 1.00 0.00 C ATOM 0 H LEU A 100 7.643 -2.400 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 100 9.653 -3.399 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.079 -3.328 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.994 -4.662 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 100 7.047 -5.543 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.043 -6.975 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.258 -6.814 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.742 -5.899 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.935 -5.126 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.630 -3.986 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.070 -3.623 0.541 1.00 0.00 H new ATOM 1572 N GLU A 101 10.685 -4.710 -3.995 1.00 0.00 N ATOM 1573 CA GLU A 101 11.302 -5.642 -4.931 1.00 0.00 C ATOM 1574 C GLU A 101 10.996 -7.087 -4.547 1.00 0.00 C ATOM 1575 O GLU A 101 10.555 -7.364 -3.432 1.00 0.00 O ATOM 1576 CB GLU A 101 12.816 -5.426 -4.978 1.00 0.00 C ATOM 1577 CG GLU A 101 13.499 -5.602 -3.631 1.00 0.00 C ATOM 1578 CD GLU A 101 14.915 -5.063 -3.622 1.00 0.00 C ATOM 1579 OE1 GLU A 101 15.793 -5.685 -4.258 1.00 0.00 O ATOM 1580 OE2 GLU A 101 15.148 -4.017 -2.979 1.00 0.00 O ATOM 0 H GLU A 101 11.348 -4.149 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 101 10.883 -5.451 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.252 -6.125 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.020 -4.422 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.916 -5.094 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.515 -6.660 -3.371 1.00 0.00 H new ATOM 1654 N VAL A 106 5.848 -12.619 0.592 1.00 0.00 N ATOM 1655 CA VAL A 106 5.347 -11.522 1.411 1.00 0.00 C ATOM 1656 C VAL A 106 6.228 -11.309 2.638 1.00 0.00 C ATOM 1657 O VAL A 106 6.436 -10.178 3.074 1.00 0.00 O ATOM 1658 CB VAL A 106 3.895 -11.782 1.863 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.819 -13.029 2.732 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.335 -10.572 2.596 1.00 0.00 C ATOM 0 HA VAL A 106 5.370 -10.623 0.795 1.00 0.00 H new ATOM 0 HB VAL A 106 3.284 -11.951 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.787 -13.195 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.171 -13.890 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.445 -12.896 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.310 -10.777 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.945 -10.364 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.348 -9.707 1.933 1.00 0.00 H new ATOM 1670 N GLU A 107 6.747 -12.403 3.193 1.00 0.00 N ATOM 1671 CA GLU A 107 7.608 -12.332 4.368 1.00 0.00 C ATOM 1672 C GLU A 107 8.659 -11.236 4.208 1.00 0.00 C ATOM 1673 O GLU A 107 8.936 -10.485 5.141 1.00 0.00 O ATOM 1674 CB GLU A 107 8.290 -13.677 4.600 1.00 0.00 C ATOM 1675 CG GLU A 107 8.859 -13.829 5.998 1.00 0.00 C ATOM 1676 CD GLU A 107 10.010 -14.816 6.059 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.428 -15.311 4.991 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.494 -15.093 7.177 1.00 0.00 O ATOM 0 H GLU A 107 6.585 -13.349 2.846 1.00 0.00 H new ATOM 0 HA GLU A 107 6.988 -12.090 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.572 -14.477 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.093 -13.799 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.200 -12.857 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.069 -14.157 6.674 1.00 0.00 H new ATOM 1685 N ARG A 108 9.228 -11.147 3.010 1.00 0.00 N ATOM 1686 CA ARG A 108 10.237 -10.136 2.718 1.00 0.00 C ATOM 1687 C ARG A 108 9.629 -8.742 2.820 1.00 0.00 C ATOM 1688 O ARG A 108 10.288 -7.794 3.246 1.00 0.00 O ATOM 1689 CB ARG A 108 10.813 -10.355 1.319 1.00 0.00 C ATOM 1690 CG ARG A 108 12.252 -9.883 1.173 1.00 0.00 C ATOM 1691 CD ARG A 108 13.190 -11.030 0.826 1.00 0.00 C ATOM 1692 NE ARG A 108 14.142 -11.301 1.899 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.849 -12.008 2.988 1.00 0.00 C ATOM 1694 NH1 ARG A 108 12.632 -12.514 3.152 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.774 -12.210 3.916 1.00 0.00 N ATOM 0 H ARG A 108 9.008 -11.762 2.227 1.00 0.00 H new ATOM 0 HA ARG A 108 11.042 -10.224 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.761 -11.416 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.192 -9.831 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.307 -9.120 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.577 -9.416 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.606 -11.928 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.733 -10.791 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 108 15.087 -10.927 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.916 -12.362 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.413 -13.055 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.710 -11.824 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.549 -12.752 4.751 1.00 0.00 H new ATOM 1709 N PHE A 109 8.363 -8.634 2.431 1.00 0.00 N ATOM 1710 CA PHE A 109 7.650 -7.364 2.481 1.00 0.00 C ATOM 1711 C PHE A 109 7.423 -6.934 3.929 1.00 0.00 C ATOM 1712 O PHE A 109 7.343 -5.742 4.228 1.00 0.00 O ATOM 1713 CB PHE A 109 6.310 -7.481 1.742 1.00 0.00 C ATOM 1714 CG PHE A 109 5.379 -6.327 1.988 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.857 -5.026 2.002 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.029 -6.544 2.210 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.005 -3.964 2.233 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.172 -5.485 2.443 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.662 -4.194 2.454 1.00 0.00 C ATOM 0 H PHE A 109 7.809 -9.414 2.077 1.00 0.00 H new ATOM 0 HA PHE A 109 8.257 -6.604 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.502 -7.559 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.817 -8.404 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.907 -4.841 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.642 -7.552 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.389 -2.955 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.122 -5.667 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.995 -3.364 2.635 1.00 0.00 H new ATOM 1729 N LEU A 110 7.320 -7.914 4.823 1.00 0.00 N ATOM 1730 CA LEU A 110 7.103 -7.643 6.240 1.00 0.00 C ATOM 1731 C LEU A 110 8.108 -6.624 6.763 1.00 0.00 C ATOM 1732 O LEU A 110 7.756 -5.714 7.513 1.00 0.00 O ATOM 1733 CB LEU A 110 7.207 -8.936 7.043 1.00 0.00 C ATOM 1734 CG LEU A 110 6.094 -9.155 8.068 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.874 -10.641 8.307 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.424 -8.443 9.372 1.00 0.00 C ATOM 0 H LEU A 110 7.384 -8.905 4.590 1.00 0.00 H new ATOM 0 HA LEU A 110 6.102 -7.227 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.211 -9.777 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.165 -8.947 7.563 1.00 0.00 H new ATOM 0 HG LEU A 110 5.171 -8.733 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.078 -10.778 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.592 -11.122 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.794 -11.089 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.621 -8.609 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.358 -8.835 9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.529 -7.374 9.186 1.00 0.00 H new ATOM 1748 N LEU A 111 9.364 -6.783 6.358 1.00 0.00 N ATOM 1749 CA LEU A 111 10.426 -5.880 6.780 1.00 0.00 C ATOM 1750 C LEU A 111 10.085 -4.436 6.422 1.00 0.00 C ATOM 1751 O LEU A 111 10.058 -3.563 7.289 1.00 0.00 O ATOM 1752 CB LEU A 111 11.753 -6.282 6.130 1.00 0.00 C ATOM 1753 CG LEU A 111 12.221 -7.705 6.448 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.947 -8.634 5.275 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.701 -7.715 6.802 1.00 0.00 C ATOM 0 H LEU A 111 9.671 -7.531 5.736 1.00 0.00 H new ATOM 0 HA LEU A 111 10.524 -5.953 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.657 -6.180 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.524 -5.581 6.449 1.00 0.00 H new ATOM 0 HG LEU A 111 11.659 -8.065 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.287 -9.640 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.877 -8.653 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.481 -8.276 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.015 -8.735 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.279 -7.333 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.871 -7.084 7.675 1.00 0.00 H new ATOM 1767 N THR A 112 9.824 -4.192 5.140 1.00 0.00 N ATOM 1768 CA THR A 112 9.483 -2.853 4.664 1.00 0.00 C ATOM 1769 C THR A 112 8.436 -2.201 5.564 1.00 0.00 C ATOM 1770 O THR A 112 8.555 -1.029 5.921 1.00 0.00 O ATOM 1771 CB THR A 112 8.971 -2.917 3.223 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.955 -3.474 2.369 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.588 -1.564 2.663 1.00 0.00 C ATOM 0 H THR A 112 9.842 -4.905 4.411 1.00 0.00 H new ATOM 0 HA THR A 112 10.386 -2.244 4.694 1.00 0.00 H new ATOM 0 HB THR A 112 8.078 -3.541 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.305 -2.777 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.234 -1.681 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.797 -1.128 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.457 -0.907 2.673 1.00 0.00 H new ATOM 1781 N ILE A 113 7.415 -2.968 5.937 1.00 0.00 N ATOM 1782 CA ILE A 113 6.357 -2.464 6.809 1.00 0.00 C ATOM 1783 C ILE A 113 6.952 -1.891 8.092 1.00 0.00 C ATOM 1784 O ILE A 113 6.945 -0.679 8.309 1.00 0.00 O ATOM 1785 CB ILE A 113 5.348 -3.580 7.161 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.535 -3.965 5.925 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.426 -3.142 8.291 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.792 -2.804 5.301 1.00 0.00 C ATOM 0 H ILE A 113 7.298 -3.940 5.650 1.00 0.00 H new ATOM 0 HA ILE A 113 5.831 -1.675 6.271 1.00 0.00 H new ATOM 0 HB ILE A 113 5.906 -4.453 7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.204 -4.399 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.818 -4.739 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.725 -3.945 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.019 -2.914 9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.873 -2.254 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.238 -3.153 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.097 -2.383 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.505 -2.038 4.995 1.00 0.00 H new ATOM 1800 N LYS A 114 7.483 -2.775 8.929 1.00 0.00 N ATOM 1801 CA LYS A 114 8.107 -2.375 10.188 1.00 0.00 C ATOM 1802 C LYS A 114 9.203 -1.334 9.947 1.00 0.00 C ATOM 1803 O LYS A 114 9.604 -0.617 10.865 1.00 0.00 O ATOM 1804 CB LYS A 114 8.688 -3.608 10.890 1.00 0.00 C ATOM 1805 CG LYS A 114 9.591 -3.289 12.079 1.00 0.00 C ATOM 1806 CD LYS A 114 11.045 -3.057 11.668 1.00 0.00 C ATOM 1807 CE LYS A 114 11.539 -4.098 10.675 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.955 -4.483 10.930 1.00 0.00 N ATOM 0 H LYS A 114 7.494 -3.780 8.758 1.00 0.00 H new ATOM 0 HA LYS A 114 7.348 -1.923 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.866 -4.237 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.255 -4.191 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.215 -2.401 12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.546 -4.110 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.142 -2.064 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.678 -3.076 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.906 -4.984 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.446 -3.706 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.253 -5.194 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.563 -3.643 10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.040 -4.881 11.887 1.00 0.00 H new ATOM 1822 N HIS A 115 9.663 -1.240 8.702 1.00 0.00 N ATOM 1823 CA HIS A 115 10.690 -0.274 8.334 1.00 0.00 C ATOM 1824 C HIS A 115 10.053 1.044 7.902 1.00 0.00 C ATOM 1825 O HIS A 115 10.693 2.094 7.926 1.00 0.00 O ATOM 1826 CB HIS A 115 11.564 -0.826 7.213 1.00 0.00 C ATOM 1827 CG HIS A 115 12.875 -1.370 7.690 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.222 -2.700 7.587 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.930 -0.753 8.277 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.431 -2.879 8.090 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.882 -1.712 8.514 1.00 0.00 N ATOM 0 H HIS A 115 9.339 -1.823 7.931 1.00 0.00 H new ATOM 0 HA HIS A 115 11.316 -0.090 9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.020 -1.615 6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.751 -0.036 6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.007 0.298 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.960 -3.819 8.145 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.791 -1.550 8.947 1.00 0.00 H new ATOM 1840 N ALA A 116 8.782 0.978 7.510 1.00 0.00 N ATOM 1841 CA ALA A 116 8.048 2.161 7.076 1.00 0.00 C ATOM 1842 C ALA A 116 7.423 2.882 8.265 1.00 0.00 C ATOM 1843 O ALA A 116 7.375 4.112 8.304 1.00 0.00 O ATOM 1844 CB ALA A 116 6.975 1.774 6.068 1.00 0.00 C ATOM 0 H ALA A 116 8.240 0.115 7.485 1.00 0.00 H new ATOM 0 HA ALA A 116 8.752 2.843 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.434 2.666 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.442 1.306 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.280 1.072 6.528 1.00 0.00 H new ATOM 1850 N PHE A 117 6.946 2.108 9.234 1.00 0.00 N ATOM 1851 CA PHE A 117 6.323 2.669 10.428 1.00 0.00 C ATOM 1852 C PHE A 117 7.369 3.290 11.350 1.00 0.00 C ATOM 1853 O PHE A 117 7.139 4.340 11.949 1.00 0.00 O ATOM 1854 CB PHE A 117 5.547 1.585 11.181 1.00 0.00 C ATOM 1855 CG PHE A 117 4.183 1.315 10.613 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.119 2.157 10.899 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.963 0.217 9.795 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.863 1.909 10.380 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.708 -0.035 9.273 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.657 0.814 9.567 1.00 0.00 C ATOM 0 H PHE A 117 6.979 1.089 9.216 1.00 0.00 H new ATOM 0 HA PHE A 117 5.633 3.451 10.112 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.126 0.661 11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.444 1.883 12.225 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.274 3.016 11.535 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.781 -0.449 9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.043 2.572 10.611 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.549 -0.893 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.675 0.620 9.160 1.00 0.00 H new ATOM 1870 N GLU A 118 8.518 2.630 11.463 1.00 0.00 N ATOM 1871 CA GLU A 118 9.599 3.112 12.316 1.00 0.00 C ATOM 1872 C GLU A 118 10.301 4.316 11.694 1.00 0.00 C ATOM 1873 O GLU A 118 10.846 5.162 12.404 1.00 0.00 O ATOM 1874 CB GLU A 118 10.609 1.998 12.575 1.00 0.00 C ATOM 1875 CG GLU A 118 10.168 1.015 13.647 1.00 0.00 C ATOM 1876 CD GLU A 118 11.300 0.621 14.575 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.122 -0.232 14.179 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.366 1.164 15.698 1.00 0.00 O ATOM 0 H GLU A 118 8.724 1.759 10.974 1.00 0.00 H new ATOM 0 HA GLU A 118 9.160 3.425 13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.785 1.455 11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.560 2.442 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.361 1.457 14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.764 0.121 13.172 1.00 0.00 H new