USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 61 SER OG : rot -5:sc= 0.722 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.165 K(o=0.89,f=-5.6!) USER MOD Set 2.1: A 29 THR OG1 : rot 11:sc= -0.508! USER MOD Set 2.2: A 32 CYS SG : rot 38:sc= -0.231 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.157 (180deg=-0.638) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= -0.355 (180deg=-1.57!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -174:sc= -1.34 (180deg=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= -0.285 (180deg=-1.33!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 SER OG : rot 180:sc= -0.454 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00226 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 25:sc= 0.339 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 86 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -64:sc= -0.945 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.870 4.732 -10.757 1.00 0.00 N ATOM 87 CA VAL A 6 89.594 4.132 -9.415 1.00 0.00 C ATOM 88 C VAL A 6 88.563 3.015 -9.565 1.00 0.00 C ATOM 89 O VAL A 6 87.618 3.128 -10.320 1.00 0.00 O ATOM 90 CB VAL A 6 89.035 5.217 -8.492 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.726 4.610 -7.123 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.068 6.341 -8.338 1.00 0.00 C ATOM 0 HA VAL A 6 90.513 3.725 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 6 88.120 5.625 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.328 5.382 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 6 87.990 3.814 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.640 4.201 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.670 7.114 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 6 90.985 5.936 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.285 6.772 -9.315 1.00 0.00 H new ATOM 102 N SER A 7 88.735 1.932 -8.854 1.00 0.00 N ATOM 103 CA SER A 7 87.763 0.807 -8.960 1.00 0.00 C ATOM 104 C SER A 7 86.612 1.017 -7.976 1.00 0.00 C ATOM 105 O SER A 7 86.725 0.748 -6.797 1.00 0.00 O ATOM 106 CB SER A 7 88.465 -0.503 -8.634 1.00 0.00 C ATOM 107 OG SER A 7 89.633 -0.627 -9.434 1.00 0.00 O ATOM 0 H SER A 7 89.507 1.779 -8.205 1.00 0.00 H new ATOM 0 HA SER A 7 87.369 0.773 -9.976 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.730 -0.532 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.795 -1.343 -8.818 1.00 0.00 H new ATOM 0 HG SER A 7 90.086 -1.470 -9.223 1.00 0.00 H new ATOM 113 N PHE A 8 85.504 1.485 -8.466 1.00 0.00 N ATOM 114 CA PHE A 8 84.316 1.717 -7.593 1.00 0.00 C ATOM 115 C PHE A 8 83.504 0.420 -7.504 1.00 0.00 C ATOM 116 O PHE A 8 83.049 -0.104 -8.501 1.00 0.00 O ATOM 117 CB PHE A 8 83.458 2.824 -8.211 1.00 0.00 C ATOM 118 CG PHE A 8 83.417 2.649 -9.711 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.450 3.164 -10.504 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.346 1.972 -10.310 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.413 3.003 -11.894 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.310 1.811 -11.701 1.00 0.00 C ATOM 123 CZ PHE A 8 83.344 2.327 -12.493 1.00 0.00 C ATOM 0 H PHE A 8 85.365 1.722 -9.448 1.00 0.00 H new ATOM 0 HA PHE A 8 84.632 2.016 -6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.448 2.788 -7.802 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.869 3.801 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.276 3.686 -10.043 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.549 1.575 -9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.210 3.401 -12.505 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.485 1.289 -12.163 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.316 2.203 -13.566 1.00 0.00 H new ATOM 133 N PHE A 9 83.319 -0.102 -6.317 1.00 0.00 N ATOM 134 CA PHE A 9 82.537 -1.370 -6.156 1.00 0.00 C ATOM 135 C PHE A 9 81.133 -1.034 -5.651 1.00 0.00 C ATOM 136 O PHE A 9 80.962 -0.246 -4.742 1.00 0.00 O ATOM 137 CB PHE A 9 83.235 -2.273 -5.129 1.00 0.00 C ATOM 138 CG PHE A 9 84.419 -2.963 -5.768 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.612 -2.261 -5.970 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.325 -4.308 -6.153 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.709 -2.900 -6.557 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.424 -4.947 -6.740 1.00 0.00 C ATOM 143 CZ PHE A 9 86.616 -4.243 -6.941 1.00 0.00 C ATOM 0 H PHE A 9 83.677 0.296 -5.449 1.00 0.00 H new ATOM 0 HA PHE A 9 82.474 -1.884 -7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.566 -1.680 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.533 -3.015 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.686 -1.225 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.405 -4.851 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.629 -2.357 -6.714 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.351 -5.983 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.465 -4.736 -7.392 1.00 0.00 H new ATOM 153 N LEU A 10 80.125 -1.629 -6.227 1.00 0.00 N ATOM 154 CA LEU A 10 78.737 -1.344 -5.770 1.00 0.00 C ATOM 155 C LEU A 10 78.432 -2.172 -4.529 1.00 0.00 C ATOM 156 O LEU A 10 78.230 -3.367 -4.600 1.00 0.00 O ATOM 157 CB LEU A 10 77.734 -1.698 -6.879 1.00 0.00 C ATOM 158 CG LEU A 10 76.266 -1.531 -6.364 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.447 -0.704 -7.361 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.589 -2.903 -6.204 1.00 0.00 C ATOM 0 H LEU A 10 80.203 -2.299 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 10 78.650 -0.283 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.897 -1.055 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.895 -2.724 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 10 76.306 -1.025 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.427 -0.595 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.899 0.281 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.431 -1.210 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.569 -2.766 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.569 -3.413 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.148 -3.503 -5.487 1.00 0.00 H new ATOM 172 N VAL A 11 78.380 -1.531 -3.393 1.00 0.00 N ATOM 173 CA VAL A 11 78.062 -2.244 -2.123 1.00 0.00 C ATOM 174 C VAL A 11 76.762 -1.656 -1.585 1.00 0.00 C ATOM 175 O VAL A 11 76.485 -0.488 -1.775 1.00 0.00 O ATOM 176 CB VAL A 11 79.195 -2.039 -1.114 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.539 -2.424 -1.756 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.241 -0.570 -0.675 1.00 0.00 C ATOM 0 H VAL A 11 78.547 -0.530 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 11 77.954 -3.315 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 11 79.015 -2.670 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.342 -2.276 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.511 -3.471 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.717 -1.798 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.049 -0.430 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.414 0.064 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.293 -0.299 -0.211 1.00 0.00 H new ATOM 188 N LYS A 12 75.954 -2.448 -0.932 1.00 0.00 N ATOM 189 CA LYS A 12 74.654 -1.930 -0.399 1.00 0.00 C ATOM 190 C LYS A 12 74.741 -1.813 1.120 1.00 0.00 C ATOM 191 O LYS A 12 75.489 -2.514 1.772 1.00 0.00 O ATOM 192 CB LYS A 12 73.514 -2.902 -0.793 1.00 0.00 C ATOM 193 CG LYS A 12 72.764 -2.373 -2.023 1.00 0.00 C ATOM 194 CD LYS A 12 71.822 -3.456 -2.550 1.00 0.00 C ATOM 195 CE LYS A 12 70.995 -2.896 -3.710 1.00 0.00 C ATOM 196 NZ LYS A 12 71.909 -2.364 -4.760 1.00 0.00 N ATOM 0 H LYS A 12 76.136 -3.434 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 12 74.447 -0.947 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.926 -3.889 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.822 -3.019 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.198 -1.480 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.473 -2.084 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.396 -4.321 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.163 -3.799 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.359 -3.677 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.335 -2.105 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.390 -2.268 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.270 -1.434 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.706 -3.019 -4.891 1.00 0.00 H new ATOM 210 N GLU A 13 73.960 -0.930 1.677 1.00 0.00 N ATOM 211 CA GLU A 13 73.945 -0.735 3.157 1.00 0.00 C ATOM 212 C GLU A 13 72.500 -0.842 3.627 1.00 0.00 C ATOM 213 O GLU A 13 71.585 -0.654 2.856 1.00 0.00 O ATOM 214 CB GLU A 13 74.492 0.648 3.501 1.00 0.00 C ATOM 215 CG GLU A 13 75.794 0.882 2.736 1.00 0.00 C ATOM 216 CD GLU A 13 76.492 2.128 3.283 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.472 2.313 4.489 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.033 2.877 2.486 1.00 0.00 O ATOM 0 H GLU A 13 73.321 -0.325 1.162 1.00 0.00 H new ATOM 0 HA GLU A 13 74.564 -1.488 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 73.762 1.415 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.668 0.725 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.446 0.014 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.586 1.006 1.673 1.00 0.00 H new ATOM 225 N LYS A 14 72.284 -1.145 4.879 1.00 0.00 N ATOM 226 CA LYS A 14 70.887 -1.279 5.405 1.00 0.00 C ATOM 227 C LYS A 14 70.564 -0.084 6.305 1.00 0.00 C ATOM 228 O LYS A 14 71.028 0.004 7.424 1.00 0.00 O ATOM 229 CB LYS A 14 70.779 -2.589 6.227 1.00 0.00 C ATOM 230 CG LYS A 14 70.076 -3.692 5.419 1.00 0.00 C ATOM 231 CD LYS A 14 70.967 -4.142 4.256 1.00 0.00 C ATOM 232 CE LYS A 14 70.477 -5.495 3.728 1.00 0.00 C ATOM 233 NZ LYS A 14 70.430 -6.485 4.841 1.00 0.00 N ATOM 0 H LYS A 14 73.019 -1.307 5.568 1.00 0.00 H new ATOM 0 HA LYS A 14 70.182 -1.306 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.775 -2.924 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.227 -2.400 7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 14 69.852 -4.541 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.124 -3.323 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.945 -3.399 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.002 -4.223 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.487 -5.386 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.142 -5.851 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.653 -7.432 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 71.126 -6.223 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.478 -6.492 5.260 1.00 0.00 H new ATOM 351 N LEU A 21 67.602 -1.561 1.398 1.00 0.00 N ATOM 352 CA LEU A 21 69.090 -1.477 1.284 1.00 0.00 C ATOM 353 C LEU A 21 69.445 -0.156 0.602 1.00 0.00 C ATOM 354 O LEU A 21 68.640 0.412 -0.110 1.00 0.00 O ATOM 355 CB LEU A 21 69.634 -2.656 0.433 1.00 0.00 C ATOM 356 CG LEU A 21 68.668 -3.862 0.498 1.00 0.00 C ATOM 357 CD1 LEU A 21 67.614 -3.744 -0.611 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.434 -5.181 0.303 1.00 0.00 C ATOM 0 HA LEU A 21 69.537 -1.530 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.759 -2.338 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.618 -2.951 0.797 1.00 0.00 H new ATOM 0 HG LEU A 21 68.189 -3.861 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 21 66.936 -4.596 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.048 -2.822 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.108 -3.730 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.737 -6.017 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.926 -5.176 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.183 -5.286 1.088 1.00 0.00 H new ATOM 370 N VAL A 22 70.645 0.328 0.796 1.00 0.00 N ATOM 371 CA VAL A 22 71.058 1.611 0.139 1.00 0.00 C ATOM 372 C VAL A 22 72.336 1.347 -0.700 1.00 0.00 C ATOM 373 O VAL A 22 73.380 1.107 -0.127 1.00 0.00 O ATOM 374 CB VAL A 22 71.367 2.641 1.246 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.232 3.783 0.693 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.058 3.227 1.792 1.00 0.00 C ATOM 0 H VAL A 22 71.359 -0.108 1.380 1.00 0.00 H new ATOM 0 HA VAL A 22 70.268 1.989 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 22 71.909 2.134 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.440 4.500 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.171 3.378 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.700 4.283 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.282 3.953 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.515 3.718 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.446 2.426 2.206 1.00 0.00 H new ATOM 386 N PRO A 23 72.251 1.420 -2.025 1.00 0.00 N ATOM 387 CA PRO A 23 73.441 1.210 -2.876 1.00 0.00 C ATOM 388 C PRO A 23 74.541 2.221 -2.532 1.00 0.00 C ATOM 389 O PRO A 23 74.277 3.337 -2.131 1.00 0.00 O ATOM 390 CB PRO A 23 72.934 1.424 -4.319 1.00 0.00 C ATOM 391 CG PRO A 23 71.388 1.441 -4.259 1.00 0.00 C ATOM 392 CD PRO A 23 71.001 1.672 -2.785 1.00 0.00 C ATOM 0 HA PRO A 23 73.878 0.222 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.314 2.361 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.286 0.626 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.985 2.231 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.977 0.500 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.638 2.687 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.205 0.996 -2.474 1.00 0.00 H new ATOM 400 N ARG A 24 75.772 1.831 -2.703 1.00 0.00 N ATOM 401 CA ARG A 24 76.905 2.752 -2.409 1.00 0.00 C ATOM 402 C ARG A 24 78.108 2.332 -3.257 1.00 0.00 C ATOM 403 O ARG A 24 78.345 1.159 -3.467 1.00 0.00 O ATOM 404 CB ARG A 24 77.257 2.669 -0.918 1.00 0.00 C ATOM 405 CG ARG A 24 78.268 3.771 -0.547 1.00 0.00 C ATOM 406 CD ARG A 24 77.532 5.073 -0.197 1.00 0.00 C ATOM 407 NE ARG A 24 77.080 5.025 1.222 1.00 0.00 N ATOM 408 CZ ARG A 24 76.734 6.126 1.832 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.800 7.269 1.205 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.322 6.084 3.070 1.00 0.00 N ATOM 0 H ARG A 24 76.045 0.906 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 24 76.629 3.779 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.354 2.777 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.676 1.689 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.873 3.448 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.950 3.943 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.191 5.928 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.676 5.208 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 24 77.041 4.133 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.122 7.302 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.529 8.129 1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.271 5.191 3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.052 6.944 3.547 1.00 0.00 H new ATOM 424 N LEU A 25 78.871 3.274 -3.743 1.00 0.00 N ATOM 425 CA LEU A 25 80.064 2.934 -4.574 1.00 0.00 C ATOM 426 C LEU A 25 81.311 3.060 -3.693 1.00 0.00 C ATOM 427 O LEU A 25 81.401 3.944 -2.864 1.00 0.00 O ATOM 428 CB LEU A 25 80.138 3.906 -5.753 1.00 0.00 C ATOM 429 CG LEU A 25 79.050 3.564 -6.780 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.988 4.676 -7.838 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.338 2.199 -7.454 1.00 0.00 C ATOM 0 H LEU A 25 78.718 4.272 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 25 79.996 1.918 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.009 4.929 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.121 3.851 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 25 78.090 3.490 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.217 4.439 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.751 5.624 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.953 4.755 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.554 1.978 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.301 2.241 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.363 1.417 -6.695 1.00 0.00 H new ATOM 443 N LEU A 26 82.260 2.167 -3.844 1.00 0.00 N ATOM 444 CA LEU A 26 83.495 2.206 -2.993 1.00 0.00 C ATOM 445 C LEU A 26 84.746 2.189 -3.879 1.00 0.00 C ATOM 446 O LEU A 26 85.091 1.188 -4.476 1.00 0.00 O ATOM 447 CB LEU A 26 83.491 0.972 -2.080 1.00 0.00 C ATOM 448 CG LEU A 26 84.635 1.050 -1.051 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.269 2.002 0.097 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.889 -0.346 -0.473 1.00 0.00 C ATOM 0 H LEU A 26 82.233 1.407 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 26 83.506 3.118 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.534 0.900 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.597 0.069 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 26 85.528 1.424 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.091 2.042 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.086 3.000 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.370 1.641 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.698 -0.296 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.984 -0.709 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.166 -1.028 -1.277 1.00 0.00 H new ATOM 462 N GLY A 27 85.425 3.301 -3.949 1.00 0.00 N ATOM 463 CA GLY A 27 86.662 3.402 -4.775 1.00 0.00 C ATOM 464 C GLY A 27 87.877 2.949 -3.971 1.00 0.00 C ATOM 465 O GLY A 27 88.130 3.427 -2.883 1.00 0.00 O ATOM 0 H GLY A 27 85.170 4.159 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.561 2.788 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.801 4.430 -5.108 1.00 0.00 H new ATOM 469 N ILE A 28 88.637 2.032 -4.514 1.00 0.00 N ATOM 470 CA ILE A 28 89.858 1.531 -3.811 1.00 0.00 C ATOM 471 C ILE A 28 91.096 2.081 -4.519 1.00 0.00 C ATOM 472 O ILE A 28 91.393 1.711 -5.638 1.00 0.00 O ATOM 473 CB ILE A 28 89.894 0.000 -3.872 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.539 -0.573 -3.438 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.991 -0.520 -2.943 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.121 0.021 -2.091 1.00 0.00 C ATOM 0 H ILE A 28 88.462 1.605 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 28 89.840 1.856 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 28 90.102 -0.314 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.784 -0.351 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.603 -1.658 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.018 -1.609 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.955 -0.121 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.784 -0.202 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.158 -0.394 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.869 -0.224 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.038 1.104 -2.181 1.00 0.00 H new ATOM 488 N THR A 29 91.828 2.958 -3.881 1.00 0.00 N ATOM 489 CA THR A 29 93.052 3.524 -4.525 1.00 0.00 C ATOM 490 C THR A 29 94.273 2.728 -4.063 1.00 0.00 C ATOM 491 O THR A 29 94.171 1.826 -3.255 1.00 0.00 O ATOM 492 CB THR A 29 93.214 4.996 -4.125 1.00 0.00 C ATOM 493 OG1 THR A 29 92.916 5.147 -2.747 1.00 0.00 O ATOM 494 CG2 THR A 29 92.259 5.860 -4.949 1.00 0.00 C ATOM 0 H THR A 29 91.631 3.307 -2.943 1.00 0.00 H new ATOM 0 HA THR A 29 92.959 3.458 -5.609 1.00 0.00 H new ATOM 0 HB THR A 29 94.241 5.310 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 29 92.846 4.264 -2.329 1.00 0.00 H new ATOM 0 HG21 THR A 29 92.376 6.905 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 29 92.487 5.746 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 29 91.232 5.546 -4.763 1.00 0.00 H new ATOM 502 N LYS A 30 95.426 3.056 -4.572 1.00 0.00 N ATOM 503 CA LYS A 30 96.661 2.325 -4.173 1.00 0.00 C ATOM 504 C LYS A 30 97.179 2.890 -2.851 1.00 0.00 C ATOM 505 O LYS A 30 98.230 2.510 -2.374 1.00 0.00 O ATOM 506 CB LYS A 30 97.724 2.512 -5.265 1.00 0.00 C ATOM 507 CG LYS A 30 97.575 3.910 -5.869 1.00 0.00 C ATOM 508 CD LYS A 30 98.836 4.276 -6.658 1.00 0.00 C ATOM 509 CE LYS A 30 98.534 5.452 -7.595 1.00 0.00 C ATOM 510 NZ LYS A 30 99.802 6.160 -7.931 1.00 0.00 N ATOM 0 H LYS A 30 95.568 3.803 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 30 96.443 1.264 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.722 2.388 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.607 1.753 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.704 3.941 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.406 4.641 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.641 4.541 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.178 3.417 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.054 5.091 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.836 6.140 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.597 6.957 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 100.242 6.517 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.453 5.501 -8.403 1.00 0.00 H new ATOM 524 N GLU A 31 96.462 3.808 -2.264 1.00 0.00 N ATOM 525 CA GLU A 31 96.927 4.411 -0.981 1.00 0.00 C ATOM 526 C GLU A 31 95.738 4.741 -0.077 1.00 0.00 C ATOM 527 O GLU A 31 95.903 5.320 0.978 1.00 0.00 O ATOM 528 CB GLU A 31 97.693 5.694 -1.299 1.00 0.00 C ATOM 529 CG GLU A 31 98.929 5.357 -2.128 1.00 0.00 C ATOM 530 CD GLU A 31 99.905 6.537 -2.110 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.507 6.768 -1.074 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.036 7.187 -3.134 1.00 0.00 O ATOM 0 H GLU A 31 95.575 4.167 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 31 97.568 3.700 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.053 6.386 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.986 6.193 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.414 4.466 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.639 5.129 -3.154 1.00 0.00 H new ATOM 539 N CYS A 32 94.543 4.390 -0.467 1.00 0.00 N ATOM 540 CA CYS A 32 93.378 4.713 0.407 1.00 0.00 C ATOM 541 C CYS A 32 92.090 4.078 -0.138 1.00 0.00 C ATOM 542 O CYS A 32 92.032 3.595 -1.250 1.00 0.00 O ATOM 543 CB CYS A 32 93.210 6.247 0.468 1.00 0.00 C ATOM 544 SG CYS A 32 93.876 6.994 -1.040 1.00 0.00 S ATOM 0 H CYS A 32 94.324 3.903 -1.336 1.00 0.00 H new ATOM 0 HA CYS A 32 93.562 4.311 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.156 6.503 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.727 6.645 1.341 1.00 0.00 H new ATOM 0 HG CYS A 32 93.600 6.235 -2.059 1.00 0.00 H new ATOM 550 N VAL A 33 91.048 4.118 0.653 1.00 0.00 N ATOM 551 CA VAL A 33 89.722 3.576 0.228 1.00 0.00 C ATOM 552 C VAL A 33 88.784 4.773 0.134 1.00 0.00 C ATOM 553 O VAL A 33 88.688 5.547 1.064 1.00 0.00 O ATOM 554 CB VAL A 33 89.207 2.594 1.282 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.770 2.184 0.954 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.103 1.355 1.298 1.00 0.00 C ATOM 0 H VAL A 33 91.061 4.511 1.594 1.00 0.00 H new ATOM 0 HA VAL A 33 89.790 3.048 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 33 89.225 3.073 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.410 1.485 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.132 3.068 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.742 1.707 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.739 0.653 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.085 0.880 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.125 1.648 1.540 1.00 0.00 H new ATOM 566 N MET A 34 88.121 4.971 -0.980 1.00 0.00 N ATOM 567 CA MET A 34 87.233 6.170 -1.109 1.00 0.00 C ATOM 568 C MET A 34 85.771 5.800 -0.936 1.00 0.00 C ATOM 569 O MET A 34 85.306 4.796 -1.437 1.00 0.00 O ATOM 570 CB MET A 34 87.432 6.807 -2.493 1.00 0.00 C ATOM 571 CG MET A 34 88.930 6.790 -2.883 1.00 0.00 C ATOM 572 SD MET A 34 89.388 8.376 -3.635 1.00 0.00 S ATOM 573 CE MET A 34 89.080 7.916 -5.356 1.00 0.00 C ATOM 0 H MET A 34 88.155 4.362 -1.797 1.00 0.00 H new ATOM 0 HA MET A 34 87.503 6.876 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.849 6.264 -3.238 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.063 7.833 -2.485 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.543 6.605 -2.001 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.124 5.976 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 34 89.403 8.725 -6.012 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.637 7.010 -5.596 1.00 0.00 H new ATOM 0 HE3 MET A 34 88.015 7.736 -5.499 1.00 0.00 H new ATOM 583 N ARG A 35 85.025 6.640 -0.266 1.00 0.00 N ATOM 584 CA ARG A 35 83.571 6.365 -0.108 1.00 0.00 C ATOM 585 C ARG A 35 82.883 7.091 -1.250 1.00 0.00 C ATOM 586 O ARG A 35 83.126 8.260 -1.477 1.00 0.00 O ATOM 587 CB ARG A 35 83.049 6.933 1.216 1.00 0.00 C ATOM 588 CG ARG A 35 83.521 6.080 2.411 1.00 0.00 C ATOM 589 CD ARG A 35 82.524 6.217 3.581 1.00 0.00 C ATOM 590 NE ARG A 35 81.824 7.530 3.500 1.00 0.00 N ATOM 591 CZ ARG A 35 80.735 7.729 4.190 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.270 6.784 4.959 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.112 8.872 4.112 1.00 0.00 N ATOM 0 H ARG A 35 85.359 7.497 0.174 1.00 0.00 H new ATOM 0 HA ARG A 35 83.381 5.292 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.397 7.959 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.960 6.966 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.604 5.035 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.513 6.400 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.797 5.405 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.051 6.134 4.531 1.00 0.00 H new ATOM 0 HE ARG A 35 82.196 8.272 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.758 5.890 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.419 6.939 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.476 9.611 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.261 9.027 4.652 1.00 0.00 H new ATOM 607 N VAL A 36 82.054 6.413 -1.996 1.00 0.00 N ATOM 608 CA VAL A 36 81.386 7.072 -3.152 1.00 0.00 C ATOM 609 C VAL A 36 79.906 6.699 -3.182 1.00 0.00 C ATOM 610 O VAL A 36 79.542 5.539 -3.163 1.00 0.00 O ATOM 611 CB VAL A 36 82.073 6.609 -4.437 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.485 7.351 -5.639 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.572 6.905 -4.344 1.00 0.00 C ATOM 0 H VAL A 36 81.811 5.432 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 36 81.464 8.155 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 36 81.914 5.538 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.979 7.016 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.417 7.143 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.639 8.423 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.065 6.576 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.724 7.977 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 83.996 6.373 -3.492 1.00 0.00 H new ATOM 623 N ASP A 37 79.051 7.682 -3.234 1.00 0.00 N ATOM 624 CA ASP A 37 77.591 7.407 -3.275 1.00 0.00 C ATOM 625 C ASP A 37 77.237 6.843 -4.644 1.00 0.00 C ATOM 626 O ASP A 37 77.853 7.166 -5.632 1.00 0.00 O ATOM 627 CB ASP A 37 76.819 8.709 -3.038 1.00 0.00 C ATOM 628 CG ASP A 37 75.372 8.389 -2.654 1.00 0.00 C ATOM 629 OD1 ASP A 37 74.990 7.236 -2.768 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.670 9.304 -2.255 1.00 0.00 O ATOM 0 H ASP A 37 79.304 8.670 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 37 77.325 6.689 -2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.296 9.287 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.839 9.324 -3.938 1.00 0.00 H new ATOM 635 N GLU A 38 76.250 6.004 -4.712 1.00 0.00 N ATOM 636 CA GLU A 38 75.852 5.421 -6.021 1.00 0.00 C ATOM 637 C GLU A 38 74.822 6.344 -6.647 1.00 0.00 C ATOM 638 O GLU A 38 74.616 6.374 -7.844 1.00 0.00 O ATOM 639 CB GLU A 38 75.239 4.051 -5.756 1.00 0.00 C ATOM 640 CG GLU A 38 75.209 3.207 -7.030 1.00 0.00 C ATOM 641 CD GLU A 38 74.125 3.736 -7.971 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.965 3.676 -7.598 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.473 4.191 -9.048 1.00 0.00 O ATOM 0 H GLU A 38 75.696 5.693 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 38 76.704 5.315 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.814 3.534 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.226 4.170 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.181 3.240 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.012 2.164 -6.783 1.00 0.00 H new ATOM 650 N LYS A 39 74.182 7.092 -5.815 1.00 0.00 N ATOM 651 CA LYS A 39 73.149 8.038 -6.274 1.00 0.00 C ATOM 652 C LYS A 39 73.813 9.246 -6.926 1.00 0.00 C ATOM 653 O LYS A 39 73.461 9.650 -8.016 1.00 0.00 O ATOM 654 CB LYS A 39 72.357 8.487 -5.057 1.00 0.00 C ATOM 655 CG LYS A 39 71.277 9.485 -5.481 1.00 0.00 C ATOM 656 CD LYS A 39 70.229 9.612 -4.373 1.00 0.00 C ATOM 657 CE LYS A 39 70.866 10.231 -3.127 1.00 0.00 C ATOM 658 NZ LYS A 39 69.796 10.625 -2.167 1.00 0.00 N ATOM 0 H LYS A 39 74.335 7.088 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 39 72.493 7.563 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.899 7.625 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.024 8.947 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.726 10.457 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.804 9.153 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.399 10.231 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.818 8.631 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.544 9.517 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 39 71.460 11.102 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 70.228 11.046 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.166 11.320 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.247 9.785 -1.895 1.00 0.00 H new ATOM 672 N THR A 40 74.768 9.831 -6.254 1.00 0.00 N ATOM 673 CA THR A 40 75.464 11.029 -6.812 1.00 0.00 C ATOM 674 C THR A 40 76.811 10.630 -7.416 1.00 0.00 C ATOM 675 O THR A 40 77.495 11.448 -7.998 1.00 0.00 O ATOM 676 CB THR A 40 75.699 12.044 -5.693 1.00 0.00 C ATOM 677 OG1 THR A 40 76.595 11.498 -4.736 1.00 0.00 O ATOM 678 CG2 THR A 40 74.367 12.374 -5.023 1.00 0.00 C ATOM 0 H THR A 40 75.098 9.530 -5.337 1.00 0.00 H new ATOM 0 HA THR A 40 74.840 11.467 -7.591 1.00 0.00 H new ATOM 0 HB THR A 40 76.131 12.954 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.746 12.150 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.531 13.098 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 40 73.684 12.796 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.935 11.465 -4.606 1.00 0.00 H new ATOM 686 N LYS A 41 77.213 9.390 -7.289 1.00 0.00 N ATOM 687 CA LYS A 41 78.527 8.991 -7.872 1.00 0.00 C ATOM 688 C LYS A 41 79.601 9.985 -7.417 1.00 0.00 C ATOM 689 O LYS A 41 80.628 10.136 -8.048 1.00 0.00 O ATOM 690 CB LYS A 41 78.422 9.002 -9.399 1.00 0.00 C ATOM 691 CG LYS A 41 77.568 7.813 -9.855 1.00 0.00 C ATOM 692 CD LYS A 41 77.574 7.708 -11.389 1.00 0.00 C ATOM 693 CE LYS A 41 76.537 8.664 -11.987 1.00 0.00 C ATOM 694 NZ LYS A 41 75.181 8.302 -11.485 1.00 0.00 N ATOM 0 H LYS A 41 76.697 8.649 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 41 78.797 7.990 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.975 9.937 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.415 8.943 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.954 6.891 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.546 7.932 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.565 7.948 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 41 77.354 6.684 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.775 9.692 -11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 41 76.560 8.609 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 74.509 8.291 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 75.214 7.360 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 74.873 9.002 -10.781 1.00 0.00 H new ATOM 708 N GLU A 42 79.365 10.664 -6.320 1.00 0.00 N ATOM 709 CA GLU A 42 80.361 11.657 -5.804 1.00 0.00 C ATOM 710 C GLU A 42 81.140 11.024 -4.644 1.00 0.00 C ATOM 711 O GLU A 42 80.720 10.043 -4.074 1.00 0.00 O ATOM 712 CB GLU A 42 79.605 12.915 -5.313 1.00 0.00 C ATOM 713 CG GLU A 42 80.087 14.164 -6.059 1.00 0.00 C ATOM 714 CD GLU A 42 79.600 14.115 -7.508 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.398 14.031 -7.705 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.435 14.161 -8.396 1.00 0.00 O ATOM 0 H GLU A 42 78.520 10.573 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 42 81.059 11.941 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.534 12.784 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.760 13.043 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.710 15.061 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.175 14.219 -6.032 1.00 0.00 H new ATOM 723 N VAL A 43 82.262 11.590 -4.289 1.00 0.00 N ATOM 724 CA VAL A 43 83.068 11.028 -3.161 1.00 0.00 C ATOM 725 C VAL A 43 82.549 11.592 -1.839 1.00 0.00 C ATOM 726 O VAL A 43 82.420 12.789 -1.674 1.00 0.00 O ATOM 727 CB VAL A 43 84.540 11.410 -3.348 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.340 11.012 -2.105 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.103 10.676 -4.566 1.00 0.00 C ATOM 0 H VAL A 43 82.658 12.419 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 43 82.978 9.942 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 43 84.616 12.487 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.386 11.286 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.941 11.531 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.264 9.935 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.150 10.946 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.023 9.600 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.538 10.958 -5.454 1.00 0.00 H new ATOM 739 N ILE A 44 82.240 10.734 -0.898 1.00 0.00 N ATOM 740 CA ILE A 44 81.714 11.205 0.418 1.00 0.00 C ATOM 741 C ILE A 44 82.812 11.145 1.484 1.00 0.00 C ATOM 742 O ILE A 44 82.780 11.875 2.454 1.00 0.00 O ATOM 743 CB ILE A 44 80.552 10.311 0.843 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.587 10.121 -0.337 1.00 0.00 C ATOM 745 CG2 ILE A 44 79.814 10.961 2.014 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.184 11.480 -0.919 1.00 0.00 C ATOM 0 H ILE A 44 82.331 9.722 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 44 81.376 12.236 0.316 1.00 0.00 H new ATOM 0 HB ILE A 44 80.935 9.338 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.060 9.513 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 44 78.699 9.582 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 44 78.984 10.324 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.500 11.088 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.431 11.934 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.500 11.330 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 44 78.691 12.074 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.073 12.004 -1.268 1.00 0.00 H new ATOM 758 N GLN A 45 83.780 10.280 1.328 1.00 0.00 N ATOM 759 CA GLN A 45 84.859 10.193 2.358 1.00 0.00 C ATOM 760 C GLN A 45 86.005 9.307 1.861 1.00 0.00 C ATOM 761 O GLN A 45 85.880 8.581 0.896 1.00 0.00 O ATOM 762 CB GLN A 45 84.291 9.611 3.657 1.00 0.00 C ATOM 763 CG GLN A 45 85.374 9.612 4.744 1.00 0.00 C ATOM 764 CD GLN A 45 84.722 9.500 6.122 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.719 8.834 6.282 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.257 10.128 7.131 1.00 0.00 N ATOM 0 H GLN A 45 83.871 9.637 0.542 1.00 0.00 H new ATOM 0 HA GLN A 45 85.243 11.196 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.433 10.198 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 45 83.935 8.595 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.061 8.780 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 45 85.963 10.527 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.099 10.687 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 45 84.833 10.060 8.056 1.00 0.00 H new ATOM 775 N GLU A 46 87.127 9.378 2.528 1.00 0.00 N ATOM 776 CA GLU A 46 88.320 8.567 2.137 1.00 0.00 C ATOM 777 C GLU A 46 89.043 8.047 3.385 1.00 0.00 C ATOM 778 O GLU A 46 88.924 8.592 4.465 1.00 0.00 O ATOM 779 CB GLU A 46 89.279 9.441 1.311 1.00 0.00 C ATOM 780 CG GLU A 46 88.814 9.492 -0.148 1.00 0.00 C ATOM 781 CD GLU A 46 89.489 10.666 -0.862 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.690 10.600 -1.064 1.00 0.00 O ATOM 783 OE2 GLU A 46 88.792 11.611 -1.195 1.00 0.00 O ATOM 0 H GLU A 46 87.270 9.975 3.343 1.00 0.00 H new ATOM 0 HA GLU A 46 87.992 7.715 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.315 10.448 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.290 9.038 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.060 8.557 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 87.730 9.602 -0.191 1.00 0.00 H new ATOM 790 N TRP A 47 89.799 6.986 3.228 1.00 0.00 N ATOM 791 CA TRP A 47 90.552 6.396 4.378 1.00 0.00 C ATOM 792 C TRP A 47 91.944 5.983 3.906 1.00 0.00 C ATOM 793 O TRP A 47 92.145 5.675 2.754 1.00 0.00 O ATOM 794 CB TRP A 47 89.832 5.149 4.886 1.00 0.00 C ATOM 795 CG TRP A 47 88.513 5.505 5.501 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.309 6.477 6.425 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.213 4.894 5.260 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.966 6.499 6.758 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.253 5.543 6.069 1.00 0.00 C ATOM 800 CE3 TRP A 47 86.778 3.849 4.424 1.00 0.00 C ATOM 801 CZ2 TRP A 47 84.912 5.169 6.053 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.427 3.470 4.405 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.496 4.128 5.219 1.00 0.00 C ATOM 0 H TRP A 47 89.927 6.499 2.341 1.00 0.00 H new ATOM 0 HA TRP A 47 90.620 7.137 5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.677 4.453 4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.455 4.639 5.621 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.069 7.126 6.833 1.00 0.00 H new ATOM 0 HE1 TRP A 47 86.554 7.145 7.432 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.488 3.335 3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.198 5.680 6.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.103 2.667 3.759 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.458 3.831 5.202 1.00 0.00 H new ATOM 814 N SER A 48 92.902 5.952 4.790 1.00 0.00 N ATOM 815 CA SER A 48 94.278 5.540 4.382 1.00 0.00 C ATOM 816 C SER A 48 94.363 4.008 4.368 1.00 0.00 C ATOM 817 O SER A 48 93.803 3.336 5.212 1.00 0.00 O ATOM 818 CB SER A 48 95.300 6.128 5.370 1.00 0.00 C ATOM 819 OG SER A 48 94.671 6.332 6.629 1.00 0.00 O ATOM 0 H SER A 48 92.794 6.193 5.775 1.00 0.00 H new ATOM 0 HA SER A 48 94.500 5.915 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.148 5.452 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 48 95.691 7.071 4.989 1.00 0.00 H new ATOM 0 HG SER A 48 95.319 6.705 7.262 1.00 0.00 H new ATOM 825 N LEU A 49 95.060 3.455 3.411 1.00 0.00 N ATOM 826 CA LEU A 49 95.187 1.973 3.330 1.00 0.00 C ATOM 827 C LEU A 49 95.952 1.470 4.560 1.00 0.00 C ATOM 828 O LEU A 49 95.651 0.429 5.110 1.00 0.00 O ATOM 829 CB LEU A 49 95.952 1.605 2.029 1.00 0.00 C ATOM 830 CG LEU A 49 94.992 0.995 0.991 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.615 1.083 -0.409 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.723 -0.476 1.339 1.00 0.00 C ATOM 0 H LEU A 49 95.549 3.970 2.679 1.00 0.00 H new ATOM 0 HA LEU A 49 94.202 1.506 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.426 2.495 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.748 0.896 2.257 1.00 0.00 H new ATOM 0 HG LEU A 49 94.054 1.549 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.931 0.650 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.800 2.127 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.557 0.534 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.043 -0.906 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.662 -1.029 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.272 -0.539 2.329 1.00 0.00 H new ATOM 844 N THR A 50 96.941 2.200 4.989 1.00 0.00 N ATOM 845 CA THR A 50 97.729 1.768 6.172 1.00 0.00 C ATOM 846 C THR A 50 96.853 1.824 7.422 1.00 0.00 C ATOM 847 O THR A 50 97.268 1.451 8.501 1.00 0.00 O ATOM 848 CB THR A 50 98.932 2.697 6.347 1.00 0.00 C ATOM 849 OG1 THR A 50 98.475 4.024 6.573 1.00 0.00 O ATOM 850 CG2 THR A 50 99.791 2.659 5.083 1.00 0.00 C ATOM 0 H THR A 50 97.238 3.081 4.569 1.00 0.00 H new ATOM 0 HA THR A 50 98.076 0.746 6.023 1.00 0.00 H new ATOM 0 HB THR A 50 99.527 2.369 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.245 4.620 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.649 3.320 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.140 1.641 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.198 2.989 4.230 1.00 0.00 H new ATOM 858 N ASN A 51 95.642 2.292 7.286 1.00 0.00 N ATOM 859 CA ASN A 51 94.735 2.378 8.469 1.00 0.00 C ATOM 860 C ASN A 51 93.945 1.074 8.616 1.00 0.00 C ATOM 861 O ASN A 51 93.538 0.705 9.699 1.00 0.00 O ATOM 862 CB ASN A 51 93.758 3.543 8.275 1.00 0.00 C ATOM 863 CG ASN A 51 93.115 3.903 9.616 1.00 0.00 C ATOM 864 OD1 ASN A 51 92.966 3.059 10.476 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.725 5.130 9.832 1.00 0.00 N ATOM 0 H ASN A 51 95.240 2.619 6.407 1.00 0.00 H new ATOM 0 HA ASN A 51 95.331 2.541 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.283 4.407 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.989 3.269 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.295 5.379 10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.850 5.839 9.110 1.00 0.00 H new ATOM 872 N ILE A 52 93.716 0.378 7.536 1.00 0.00 N ATOM 873 CA ILE A 52 92.941 -0.893 7.619 1.00 0.00 C ATOM 874 C ILE A 52 93.700 -1.921 8.464 1.00 0.00 C ATOM 875 O ILE A 52 94.815 -2.294 8.159 1.00 0.00 O ATOM 876 CB ILE A 52 92.726 -1.449 6.211 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.940 -0.426 5.380 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.939 -2.759 6.295 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.849 -0.891 3.923 1.00 0.00 C ATOM 0 H ILE A 52 94.032 0.634 6.600 1.00 0.00 H new ATOM 0 HA ILE A 52 91.977 -0.692 8.087 1.00 0.00 H new ATOM 0 HB ILE A 52 93.690 -1.639 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.939 -0.302 5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.429 0.547 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.785 -3.156 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.498 -3.482 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.973 -2.573 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.289 -0.158 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.853 -0.992 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.340 -1.854 3.880 1.00 0.00 H new ATOM 891 N LYS A 53 93.092 -2.387 9.523 1.00 0.00 N ATOM 892 CA LYS A 53 93.754 -3.400 10.396 1.00 0.00 C ATOM 893 C LYS A 53 93.460 -4.800 9.850 1.00 0.00 C ATOM 894 O LYS A 53 94.353 -5.598 9.644 1.00 0.00 O ATOM 895 CB LYS A 53 93.199 -3.275 11.819 1.00 0.00 C ATOM 896 CG LYS A 53 93.723 -4.424 12.684 1.00 0.00 C ATOM 897 CD LYS A 53 93.418 -4.133 14.156 1.00 0.00 C ATOM 898 CE LYS A 53 93.713 -5.377 14.995 1.00 0.00 C ATOM 899 NZ LYS A 53 93.471 -5.076 16.435 1.00 0.00 N ATOM 0 H LYS A 53 92.158 -2.107 9.823 1.00 0.00 H new ATOM 0 HA LYS A 53 94.831 -3.234 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.494 -2.319 12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.109 -3.292 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.257 -5.362 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.797 -4.541 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.022 -3.295 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.374 -3.843 14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.079 -6.204 14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.746 -5.692 14.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.672 -5.922 17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.094 -4.300 16.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.478 -4.796 16.569 1.00 0.00 H new ATOM 913 N ARG A 54 92.210 -5.100 9.608 1.00 0.00 N ATOM 914 CA ARG A 54 91.847 -6.444 9.067 1.00 0.00 C ATOM 915 C ARG A 54 90.556 -6.324 8.249 1.00 0.00 C ATOM 916 O ARG A 54 89.945 -5.276 8.177 1.00 0.00 O ATOM 917 CB ARG A 54 91.648 -7.447 10.237 1.00 0.00 C ATOM 918 CG ARG A 54 90.164 -7.512 10.662 1.00 0.00 C ATOM 919 CD ARG A 54 90.010 -8.216 12.018 1.00 0.00 C ATOM 920 NE ARG A 54 90.119 -7.210 13.114 1.00 0.00 N ATOM 921 CZ ARG A 54 89.770 -7.533 14.329 1.00 0.00 C ATOM 922 NH1 ARG A 54 89.341 -8.739 14.584 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.848 -6.652 15.288 1.00 0.00 N ATOM 0 H ARG A 54 91.423 -4.470 9.762 1.00 0.00 H new ATOM 0 HA ARG A 54 92.649 -6.811 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.987 -8.437 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.261 -7.147 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 89.755 -6.503 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.588 -8.044 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.047 -8.723 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.779 -8.980 12.133 1.00 0.00 H new ATOM 0 HE ARG A 54 90.466 -6.272 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.279 -9.427 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.068 -8.993 15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 54 90.182 -5.709 15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.575 -6.906 16.237 1.00 0.00 H new ATOM 937 N TRP A 55 90.126 -7.404 7.663 1.00 0.00 N ATOM 938 CA TRP A 55 88.859 -7.380 6.883 1.00 0.00 C ATOM 939 C TRP A 55 88.317 -8.798 6.764 1.00 0.00 C ATOM 940 O TRP A 55 88.967 -9.752 7.126 1.00 0.00 O ATOM 941 CB TRP A 55 89.092 -6.804 5.484 1.00 0.00 C ATOM 942 CG TRP A 55 90.131 -7.609 4.772 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.914 -8.802 4.172 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.539 -7.299 4.567 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.103 -9.248 3.621 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.131 -8.355 3.835 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.352 -6.216 4.944 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.481 -8.336 3.488 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.711 -6.194 4.596 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.273 -7.253 3.869 1.00 0.00 C ATOM 0 H TRP A 55 90.600 -8.307 7.691 1.00 0.00 H new ATOM 0 HA TRP A 55 88.140 -6.746 7.402 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.161 -6.812 4.917 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.411 -5.764 5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.968 -9.321 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.206 -10.129 3.118 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.928 -5.396 5.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.910 -9.154 2.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.327 -5.357 4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.320 -7.230 3.604 1.00 0.00 H new ATOM 961 N ALA A 56 87.127 -8.946 6.259 1.00 0.00 N ATOM 962 CA ALA A 56 86.543 -10.310 6.104 1.00 0.00 C ATOM 963 C ALA A 56 85.650 -10.322 4.865 1.00 0.00 C ATOM 964 O ALA A 56 84.750 -9.515 4.732 1.00 0.00 O ATOM 965 CB ALA A 56 85.722 -10.668 7.342 1.00 0.00 C ATOM 0 H ALA A 56 86.530 -8.181 5.945 1.00 0.00 H new ATOM 0 HA ALA A 56 87.341 -11.044 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.299 -11.665 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.365 -10.650 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.916 -9.944 7.466 1.00 0.00 H new ATOM 971 N ALA A 57 85.895 -11.222 3.951 1.00 0.00 N ATOM 972 CA ALA A 57 85.068 -11.282 2.708 1.00 0.00 C ATOM 973 C ALA A 57 84.012 -12.375 2.838 1.00 0.00 C ATOM 974 O ALA A 57 84.315 -13.551 2.819 1.00 0.00 O ATOM 975 CB ALA A 57 85.973 -11.602 1.520 1.00 0.00 C ATOM 0 H ALA A 57 86.635 -11.922 4.011 1.00 0.00 H new ATOM 0 HA ALA A 57 84.576 -10.321 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.376 -11.647 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.730 -10.824 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.460 -12.563 1.682 1.00 0.00 H new ATOM 981 N SER A 58 82.766 -11.995 2.955 1.00 0.00 N ATOM 982 CA SER A 58 81.681 -13.005 3.071 1.00 0.00 C ATOM 983 C SER A 58 81.118 -13.268 1.663 1.00 0.00 C ATOM 984 O SER A 58 81.333 -12.474 0.769 1.00 0.00 O ATOM 985 CB SER A 58 80.586 -12.456 4.003 1.00 0.00 C ATOM 986 OG SER A 58 80.599 -13.194 5.219 1.00 0.00 O ATOM 0 H SER A 58 82.456 -11.024 2.975 1.00 0.00 H new ATOM 0 HA SER A 58 82.056 -13.939 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.757 -11.398 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.610 -12.536 3.525 1.00 0.00 H new ATOM 0 HG SER A 58 79.905 -12.849 5.819 1.00 0.00 H new ATOM 992 N PRO A 59 80.413 -14.363 1.497 1.00 0.00 N ATOM 993 CA PRO A 59 79.828 -14.706 0.189 1.00 0.00 C ATOM 994 C PRO A 59 78.882 -13.588 -0.278 1.00 0.00 C ATOM 995 O PRO A 59 78.396 -13.607 -1.391 1.00 0.00 O ATOM 996 CB PRO A 59 79.056 -16.024 0.439 1.00 0.00 C ATOM 997 CG PRO A 59 79.094 -16.294 1.968 1.00 0.00 C ATOM 998 CD PRO A 59 80.139 -15.340 2.574 1.00 0.00 C ATOM 0 HA PRO A 59 80.580 -14.820 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.027 -15.940 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.513 -16.848 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.114 -16.123 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.359 -17.332 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.757 -14.848 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.043 -15.874 2.865 1.00 0.00 H new ATOM 1006 N LYS A 60 78.596 -12.628 0.566 1.00 0.00 N ATOM 1007 CA LYS A 60 77.659 -11.540 0.156 1.00 0.00 C ATOM 1008 C LYS A 60 77.968 -10.239 0.893 1.00 0.00 C ATOM 1009 O LYS A 60 77.402 -9.209 0.590 1.00 0.00 O ATOM 1010 CB LYS A 60 76.246 -11.968 0.520 1.00 0.00 C ATOM 1011 CG LYS A 60 76.152 -12.171 2.036 1.00 0.00 C ATOM 1012 CD LYS A 60 74.920 -13.013 2.367 1.00 0.00 C ATOM 1013 CE LYS A 60 74.608 -12.905 3.862 1.00 0.00 C ATOM 1014 NZ LYS A 60 73.466 -13.802 4.198 1.00 0.00 N ATOM 0 H LYS A 60 78.968 -12.551 1.513 1.00 0.00 H new ATOM 0 HA LYS A 60 77.766 -11.370 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.530 -11.211 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.989 -12.892 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.052 -12.665 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.091 -11.206 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.066 -12.671 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.096 -14.054 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.485 -13.180 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.363 -11.875 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 73.254 -13.729 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 72.629 -13.520 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 73.717 -14.785 3.967 1.00 0.00 H new ATOM 1028 N SER A 61 78.830 -10.279 1.875 1.00 0.00 N ATOM 1029 CA SER A 61 79.146 -9.035 2.659 1.00 0.00 C ATOM 1030 C SER A 61 80.659 -8.802 2.748 1.00 0.00 C ATOM 1031 O SER A 61 81.459 -9.690 2.532 1.00 0.00 O ATOM 1032 CB SER A 61 78.579 -9.184 4.071 1.00 0.00 C ATOM 1033 OG SER A 61 77.161 -9.091 4.021 1.00 0.00 O ATOM 0 H SER A 61 79.332 -11.116 2.172 1.00 0.00 H new ATOM 0 HA SER A 61 78.698 -8.181 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.877 -10.143 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.983 -8.408 4.721 1.00 0.00 H new ATOM 0 HG SER A 61 76.880 -8.870 3.109 1.00 0.00 H new ATOM 1039 N PHE A 62 81.039 -7.591 3.077 1.00 0.00 N ATOM 1040 CA PHE A 62 82.487 -7.229 3.207 1.00 0.00 C ATOM 1041 C PHE A 62 82.668 -6.415 4.490 1.00 0.00 C ATOM 1042 O PHE A 62 81.833 -5.600 4.832 1.00 0.00 O ATOM 1043 CB PHE A 62 82.918 -6.383 2.005 1.00 0.00 C ATOM 1044 CG PHE A 62 84.396 -6.067 2.106 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.338 -7.102 2.050 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.827 -4.741 2.255 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.704 -6.813 2.142 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.195 -4.454 2.346 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.133 -5.490 2.290 1.00 0.00 C ATOM 0 H PHE A 62 80.394 -6.823 3.265 1.00 0.00 H new ATOM 0 HA PHE A 62 83.095 -8.133 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.714 -6.920 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.340 -5.459 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.010 -8.124 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.104 -3.940 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.428 -7.613 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.526 -3.432 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.188 -5.269 2.361 1.00 0.00 H new ATOM 1059 N THR A 63 83.739 -6.633 5.214 1.00 0.00 N ATOM 1060 CA THR A 63 83.957 -5.873 6.490 1.00 0.00 C ATOM 1061 C THR A 63 85.411 -5.411 6.575 1.00 0.00 C ATOM 1062 O THR A 63 86.316 -6.105 6.167 1.00 0.00 O ATOM 1063 CB THR A 63 83.640 -6.795 7.678 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.237 -7.004 7.747 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.126 -6.164 8.989 1.00 0.00 C ATOM 0 H THR A 63 84.472 -7.303 4.979 1.00 0.00 H new ATOM 0 HA THR A 63 83.305 -5.000 6.513 1.00 0.00 H new ATOM 0 HB THR A 63 84.152 -7.747 7.535 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.031 -7.593 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.894 -6.829 9.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.203 -6.007 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.626 -5.207 9.139 1.00 0.00 H new ATOM 1073 N LEU A 64 85.632 -4.242 7.126 1.00 0.00 N ATOM 1074 CA LEU A 64 87.025 -3.715 7.282 1.00 0.00 C ATOM 1075 C LEU A 64 87.165 -3.169 8.702 1.00 0.00 C ATOM 1076 O LEU A 64 86.200 -2.758 9.316 1.00 0.00 O ATOM 1077 CB LEU A 64 87.304 -2.594 6.263 1.00 0.00 C ATOM 1078 CG LEU A 64 86.010 -1.803 5.981 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.363 -0.360 5.577 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.201 -2.482 4.847 1.00 0.00 C ATOM 0 H LEU A 64 84.900 -3.625 7.478 1.00 0.00 H new ATOM 0 HA LEU A 64 87.743 -4.516 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.073 -1.924 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.688 -3.021 5.337 1.00 0.00 H new ATOM 0 HG LEU A 64 85.401 -1.788 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.447 0.197 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 64 86.911 0.121 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 64 86.981 -0.374 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.291 -1.913 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 64 85.803 -2.514 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.939 -3.497 5.144 1.00 0.00 H new ATOM 1092 N ASP A 65 88.360 -3.172 9.228 1.00 0.00 N ATOM 1093 CA ASP A 65 88.587 -2.665 10.619 1.00 0.00 C ATOM 1094 C ASP A 65 89.749 -1.678 10.617 1.00 0.00 C ATOM 1095 O ASP A 65 90.798 -1.939 10.068 1.00 0.00 O ATOM 1096 CB ASP A 65 88.930 -3.840 11.541 1.00 0.00 C ATOM 1097 CG ASP A 65 87.856 -4.925 11.420 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.435 -5.195 10.309 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.481 -5.475 12.441 1.00 0.00 O ATOM 0 H ASP A 65 89.198 -3.506 8.752 1.00 0.00 H new ATOM 0 HA ASP A 65 87.684 -2.169 10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.905 -4.249 11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.998 -3.496 12.573 1.00 0.00 H new ATOM 1104 N PHE A 66 89.570 -0.544 11.238 1.00 0.00 N ATOM 1105 CA PHE A 66 90.661 0.471 11.290 1.00 0.00 C ATOM 1106 C PHE A 66 91.393 0.330 12.620 1.00 0.00 C ATOM 1107 O PHE A 66 92.334 1.043 12.909 1.00 0.00 O ATOM 1108 CB PHE A 66 90.051 1.867 11.188 1.00 0.00 C ATOM 1109 CG PHE A 66 89.438 2.035 9.819 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.264 2.188 8.700 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.046 2.028 9.666 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.699 2.332 7.428 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.481 2.174 8.394 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.308 2.325 7.275 1.00 0.00 C ATOM 0 H PHE A 66 88.709 -0.275 11.715 1.00 0.00 H new ATOM 0 HA PHE A 66 91.358 0.320 10.465 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.293 2.004 11.959 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.816 2.625 11.354 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.338 2.195 8.818 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.408 1.910 10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.337 2.449 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.407 2.170 8.276 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.872 2.436 6.293 1.00 0.00 H new ATOM 1124 N GLY A 67 90.956 -0.588 13.435 1.00 0.00 N ATOM 1125 CA GLY A 67 91.605 -0.795 14.761 1.00 0.00 C ATOM 1126 C GLY A 67 90.928 0.104 15.792 1.00 0.00 C ATOM 1127 O GLY A 67 91.098 -0.063 16.984 1.00 0.00 O ATOM 0 H GLY A 67 90.171 -1.209 13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.523 -1.840 15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.668 -0.563 14.700 1.00 0.00 H new ATOM 1131 N ASP A 68 90.157 1.057 15.342 1.00 0.00 N ATOM 1132 CA ASP A 68 89.466 1.970 16.295 1.00 0.00 C ATOM 1133 C ASP A 68 88.183 1.303 16.802 1.00 0.00 C ATOM 1134 O ASP A 68 87.088 1.683 16.439 1.00 0.00 O ATOM 1135 CB ASP A 68 89.129 3.283 15.582 1.00 0.00 C ATOM 1136 CG ASP A 68 90.259 3.642 14.615 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.408 3.455 14.982 1.00 0.00 O ATOM 1138 OD2 ASP A 68 89.957 4.097 13.524 1.00 0.00 O ATOM 0 H ASP A 68 89.976 1.242 14.355 1.00 0.00 H new ATOM 0 HA ASP A 68 90.117 2.179 17.144 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.189 3.184 15.039 1.00 0.00 H new ATOM 0 HB3 ASP A 68 88.993 4.081 16.312 1.00 0.00 H new ATOM 1143 N TYR A 69 88.312 0.309 17.640 1.00 0.00 N ATOM 1144 CA TYR A 69 87.107 -0.384 18.177 1.00 0.00 C ATOM 1145 C TYR A 69 86.067 0.653 18.605 1.00 0.00 C ATOM 1146 O TYR A 69 84.883 0.489 18.393 1.00 0.00 O ATOM 1147 CB TYR A 69 87.509 -1.229 19.384 1.00 0.00 C ATOM 1148 CG TYR A 69 86.277 -1.850 19.994 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.706 -2.983 19.406 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.708 -1.295 21.146 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.563 -3.564 19.970 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.566 -1.876 21.711 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.993 -3.011 21.124 1.00 0.00 C ATOM 1154 OH TYR A 69 82.867 -3.583 21.681 1.00 0.00 O ATOM 0 H TYR A 69 89.204 -0.053 17.976 1.00 0.00 H new ATOM 0 HA TYR A 69 86.681 -1.025 17.405 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.209 -2.007 19.080 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.021 -0.610 20.121 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.146 -3.410 18.517 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.149 -0.419 21.599 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.121 -4.438 19.515 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.127 -1.448 22.600 1.00 0.00 H new ATOM 0 HH TYR A 69 82.602 -3.076 22.477 1.00 0.00 H new ATOM 1164 N GLN A 70 86.509 1.721 19.204 1.00 0.00 N ATOM 1165 CA GLN A 70 85.559 2.777 19.648 1.00 0.00 C ATOM 1166 C GLN A 70 84.729 3.254 18.457 1.00 0.00 C ATOM 1167 O GLN A 70 83.518 3.338 18.526 1.00 0.00 O ATOM 1168 CB GLN A 70 86.343 3.957 20.230 1.00 0.00 C ATOM 1169 CG GLN A 70 87.329 4.500 19.194 1.00 0.00 C ATOM 1170 CD GLN A 70 88.405 5.336 19.893 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.113 6.084 20.806 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.645 5.241 19.500 1.00 0.00 N ATOM 0 H GLN A 70 87.491 1.909 19.406 1.00 0.00 H new ATOM 0 HA GLN A 70 84.896 2.369 20.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.655 4.745 20.535 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.881 3.640 21.123 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.791 3.676 18.651 1.00 0.00 H new ATOM 0 HG3 GLN A 70 86.801 5.109 18.460 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.891 4.614 18.734 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.369 5.794 19.959 1.00 0.00 H new ATOM 1181 N ASP A 71 85.366 3.567 17.363 1.00 0.00 N ATOM 1182 CA ASP A 71 84.609 4.036 16.174 1.00 0.00 C ATOM 1183 C ASP A 71 83.693 2.913 15.692 1.00 0.00 C ATOM 1184 O ASP A 71 82.603 3.146 15.208 1.00 0.00 O ATOM 1185 CB ASP A 71 85.594 4.413 15.068 1.00 0.00 C ATOM 1186 CG ASP A 71 84.900 5.310 14.040 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.523 6.412 14.403 1.00 0.00 O ATOM 1188 OD2 ASP A 71 84.759 4.880 12.907 1.00 0.00 O ATOM 0 H ASP A 71 86.378 3.518 17.243 1.00 0.00 H new ATOM 0 HA ASP A 71 84.008 4.908 16.433 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.453 4.930 15.494 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.972 3.513 14.583 1.00 0.00 H new ATOM 1193 N GLY A 72 84.134 1.692 15.826 1.00 0.00 N ATOM 1194 CA GLY A 72 83.306 0.532 15.385 1.00 0.00 C ATOM 1195 C GLY A 72 83.760 0.081 13.997 1.00 0.00 C ATOM 1196 O GLY A 72 84.368 0.830 13.258 1.00 0.00 O ATOM 0 H GLY A 72 85.040 1.446 16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.403 -0.289 16.096 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.253 0.811 15.362 1.00 0.00 H new ATOM 1200 N TYR A 73 83.472 -1.139 13.638 1.00 0.00 N ATOM 1201 CA TYR A 73 83.889 -1.640 12.300 1.00 0.00 C ATOM 1202 C TYR A 73 82.982 -1.044 11.225 1.00 0.00 C ATOM 1203 O TYR A 73 81.988 -0.410 11.518 1.00 0.00 O ATOM 1204 CB TYR A 73 83.776 -3.166 12.271 1.00 0.00 C ATOM 1205 CG TYR A 73 84.537 -3.752 13.438 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.928 -3.642 13.483 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.854 -4.409 14.468 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.642 -4.185 14.558 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.565 -4.952 15.545 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.961 -4.840 15.590 1.00 0.00 C ATOM 1211 OH TYR A 73 86.663 -5.375 16.650 1.00 0.00 O ATOM 0 H TYR A 73 82.965 -1.811 14.214 1.00 0.00 H new ATOM 0 HA TYR A 73 84.921 -1.346 12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.729 -3.464 12.320 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.174 -3.553 11.333 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.455 -3.137 12.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.778 -4.497 14.432 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.718 -4.098 14.591 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.038 -5.457 16.341 1.00 0.00 H new ATOM 0 HH TYR A 73 86.038 -5.793 17.278 1.00 0.00 H new ATOM 1221 N TYR A 74 83.319 -1.251 9.978 1.00 0.00 N ATOM 1222 CA TYR A 74 82.495 -0.715 8.856 1.00 0.00 C ATOM 1223 C TYR A 74 82.253 -1.842 7.857 1.00 0.00 C ATOM 1224 O TYR A 74 83.149 -2.262 7.158 1.00 0.00 O ATOM 1225 CB TYR A 74 83.261 0.415 8.169 1.00 0.00 C ATOM 1226 CG TYR A 74 82.432 0.999 7.048 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.538 2.045 7.306 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.566 0.499 5.747 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.778 2.589 6.264 1.00 0.00 C ATOM 1230 CE2 TYR A 74 81.807 1.043 4.705 1.00 0.00 C ATOM 1231 CZ TYR A 74 80.912 2.088 4.963 1.00 0.00 C ATOM 1232 OH TYR A 74 80.163 2.624 3.937 1.00 0.00 O ATOM 0 H TYR A 74 84.143 -1.777 9.687 1.00 0.00 H new ATOM 0 HA TYR A 74 81.545 -0.334 9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.506 1.192 8.893 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.205 0.038 7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.435 2.432 8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.256 -0.308 5.548 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.088 3.395 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 74 81.912 0.657 3.702 1.00 0.00 H new ATOM 0 HH TYR A 74 80.378 2.163 3.099 1.00 0.00 H new ATOM 1242 N SER A 75 81.051 -2.345 7.799 1.00 0.00 N ATOM 1243 CA SER A 75 80.731 -3.464 6.859 1.00 0.00 C ATOM 1244 C SER A 75 79.514 -3.112 6.008 1.00 0.00 C ATOM 1245 O SER A 75 78.683 -2.307 6.379 1.00 0.00 O ATOM 1246 CB SER A 75 80.433 -4.726 7.666 1.00 0.00 C ATOM 1247 OG SER A 75 79.122 -4.640 8.206 1.00 0.00 O ATOM 0 H SER A 75 80.266 -2.027 8.368 1.00 0.00 H new ATOM 0 HA SER A 75 81.585 -3.631 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.520 -5.607 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 75 81.162 -4.839 8.468 1.00 0.00 H new ATOM 0 HG SER A 75 78.927 -5.449 8.723 1.00 0.00 H new ATOM 1253 N VAL A 76 79.416 -3.722 4.858 1.00 0.00 N ATOM 1254 CA VAL A 76 78.269 -3.451 3.944 1.00 0.00 C ATOM 1255 C VAL A 76 78.011 -4.695 3.095 1.00 0.00 C ATOM 1256 O VAL A 76 78.767 -5.645 3.126 1.00 0.00 O ATOM 1257 CB VAL A 76 78.609 -2.277 3.026 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.705 -0.991 3.850 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.951 -2.546 2.343 1.00 0.00 C ATOM 0 H VAL A 76 80.089 -4.404 4.509 1.00 0.00 H new ATOM 0 HA VAL A 76 77.383 -3.206 4.529 1.00 0.00 H new ATOM 0 HB VAL A 76 77.829 -2.164 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 76 78.948 -0.155 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.751 -0.801 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.485 -1.099 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.199 -1.712 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.728 -2.656 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.883 -3.462 1.756 1.00 0.00 H new ATOM 1269 N GLN A 77 76.949 -4.702 2.340 1.00 0.00 N ATOM 1270 CA GLN A 77 76.647 -5.887 1.499 1.00 0.00 C ATOM 1271 C GLN A 77 77.534 -5.869 0.252 1.00 0.00 C ATOM 1272 O GLN A 77 77.719 -4.846 -0.376 1.00 0.00 O ATOM 1273 CB GLN A 77 75.173 -5.833 1.083 1.00 0.00 C ATOM 1274 CG GLN A 77 74.287 -6.373 2.216 1.00 0.00 C ATOM 1275 CD GLN A 77 74.235 -7.902 2.156 1.00 0.00 C ATOM 1276 OE1 GLN A 77 75.258 -8.556 2.108 1.00 0.00 O ATOM 1277 NE2 GLN A 77 73.077 -8.502 2.158 1.00 0.00 N ATOM 0 H GLN A 77 76.278 -3.937 2.270 1.00 0.00 H new ATOM 0 HA GLN A 77 76.840 -6.801 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.891 -4.807 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 77 75.020 -6.422 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.680 -6.052 3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.281 -5.963 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.218 -7.953 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 77 73.030 -9.520 2.119 1.00 0.00 H new ATOM 1286 N THR A 78 78.074 -7.002 -0.111 1.00 0.00 N ATOM 1287 CA THR A 78 78.946 -7.076 -1.318 1.00 0.00 C ATOM 1288 C THR A 78 78.766 -8.438 -1.977 1.00 0.00 C ATOM 1289 O THR A 78 79.018 -9.467 -1.383 1.00 0.00 O ATOM 1290 CB THR A 78 80.414 -6.917 -0.919 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.784 -7.984 -0.057 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.624 -5.583 -0.199 1.00 0.00 C ATOM 0 H THR A 78 77.947 -7.886 0.382 1.00 0.00 H new ATOM 0 HA THR A 78 78.669 -6.277 -2.006 1.00 0.00 H new ATOM 0 HB THR A 78 81.032 -6.935 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.202 -8.755 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.673 -5.481 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.344 -4.764 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.005 -5.552 0.698 1.00 0.00 H new ATOM 1300 N THR A 79 78.343 -8.451 -3.202 1.00 0.00 N ATOM 1301 CA THR A 79 78.157 -9.746 -3.906 1.00 0.00 C ATOM 1302 C THR A 79 79.518 -10.415 -4.060 1.00 0.00 C ATOM 1303 O THR A 79 79.631 -11.623 -4.129 1.00 0.00 O ATOM 1304 CB THR A 79 77.558 -9.490 -5.288 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.329 -8.790 -5.149 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.315 -10.822 -5.997 1.00 0.00 C ATOM 0 H THR A 79 78.117 -7.621 -3.750 1.00 0.00 H new ATOM 0 HA THR A 79 77.486 -10.389 -3.336 1.00 0.00 H new ATOM 0 HB THR A 79 78.251 -8.891 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.945 -8.624 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.888 -10.637 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.260 -11.354 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.624 -11.426 -5.409 1.00 0.00 H new ATOM 1314 N GLU A 80 80.557 -9.626 -4.114 1.00 0.00 N ATOM 1315 CA GLU A 80 81.930 -10.181 -4.263 1.00 0.00 C ATOM 1316 C GLU A 80 82.602 -10.254 -2.896 1.00 0.00 C ATOM 1317 O GLU A 80 82.799 -11.316 -2.341 1.00 0.00 O ATOM 1318 CB GLU A 80 82.742 -9.268 -5.189 1.00 0.00 C ATOM 1319 CG GLU A 80 81.882 -8.856 -6.390 1.00 0.00 C ATOM 1320 CD GLU A 80 80.907 -7.749 -5.978 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.950 -7.346 -4.827 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.135 -7.324 -6.821 1.00 0.00 O ATOM 0 H GLU A 80 80.511 -8.608 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 80 81.878 -11.183 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.073 -8.383 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.638 -9.785 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.520 -8.507 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.330 -9.718 -6.766 1.00 0.00 H new ATOM 1329 N GLY A 81 82.959 -9.131 -2.357 1.00 0.00 N ATOM 1330 CA GLY A 81 83.630 -9.116 -1.025 1.00 0.00 C ATOM 1331 C GLY A 81 85.031 -9.718 -1.155 1.00 0.00 C ATOM 1332 O GLY A 81 85.966 -9.285 -0.512 1.00 0.00 O ATOM 0 H GLY A 81 82.817 -8.214 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.694 -8.095 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 81 83.043 -9.685 -0.303 1.00 0.00 H new ATOM 1336 N GLU A 82 85.182 -10.712 -1.986 1.00 0.00 N ATOM 1337 CA GLU A 82 86.517 -11.343 -2.165 1.00 0.00 C ATOM 1338 C GLU A 82 87.389 -10.421 -3.018 1.00 0.00 C ATOM 1339 O GLU A 82 88.454 -9.999 -2.612 1.00 0.00 O ATOM 1340 CB GLU A 82 86.331 -12.697 -2.868 1.00 0.00 C ATOM 1341 CG GLU A 82 87.655 -13.168 -3.472 1.00 0.00 C ATOM 1342 CD GLU A 82 87.596 -14.673 -3.749 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.739 -15.081 -4.515 1.00 0.00 O ATOM 1344 OE2 GLU A 82 88.408 -15.390 -3.188 1.00 0.00 O ATOM 0 H GLU A 82 84.434 -11.115 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 82 87.000 -11.501 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.965 -13.437 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.578 -12.608 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.856 -12.627 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.475 -12.947 -2.789 1.00 0.00 H new ATOM 1351 N GLN A 83 86.936 -10.108 -4.194 1.00 0.00 N ATOM 1352 CA GLN A 83 87.722 -9.210 -5.087 1.00 0.00 C ATOM 1353 C GLN A 83 88.106 -7.968 -4.304 1.00 0.00 C ATOM 1354 O GLN A 83 89.251 -7.564 -4.265 1.00 0.00 O ATOM 1355 CB GLN A 83 86.874 -8.797 -6.293 1.00 0.00 C ATOM 1356 CG GLN A 83 86.231 -10.022 -6.934 1.00 0.00 C ATOM 1357 CD GLN A 83 85.224 -9.575 -7.990 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.318 -8.485 -8.518 1.00 0.00 O ATOM 1359 NE2 GLN A 83 84.255 -10.379 -8.317 1.00 0.00 N ATOM 0 H GLN A 83 86.051 -10.435 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 83 88.612 -9.732 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 83 86.101 -8.095 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.496 -8.281 -7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.996 -10.651 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.734 -10.624 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 83 84.179 -11.294 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.571 -10.095 -9.019 1.00 0.00 H new ATOM 1368 N ILE A 84 87.149 -7.374 -3.663 1.00 0.00 N ATOM 1369 CA ILE A 84 87.438 -6.165 -2.854 1.00 0.00 C ATOM 1370 C ILE A 84 88.564 -6.508 -1.880 1.00 0.00 C ATOM 1371 O ILE A 84 89.388 -5.683 -1.542 1.00 0.00 O ATOM 1372 CB ILE A 84 86.180 -5.771 -2.078 1.00 0.00 C ATOM 1373 CG1 ILE A 84 85.021 -5.579 -3.061 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.431 -4.468 -1.317 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.744 -5.217 -2.297 1.00 0.00 C ATOM 0 H ILE A 84 86.174 -7.674 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 84 87.736 -5.333 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 84 85.929 -6.557 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.264 -4.791 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.865 -6.492 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.533 -4.190 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.257 -4.607 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.682 -3.677 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.924 -5.082 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.496 -6.019 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.902 -4.292 -1.742 1.00 0.00 H new ATOM 1387 N ALA A 85 88.601 -7.737 -1.439 1.00 0.00 N ATOM 1388 CA ALA A 85 89.670 -8.169 -0.495 1.00 0.00 C ATOM 1389 C ALA A 85 90.916 -8.571 -1.287 1.00 0.00 C ATOM 1390 O ALA A 85 92.021 -8.532 -0.784 1.00 0.00 O ATOM 1391 CB ALA A 85 89.169 -9.362 0.324 1.00 0.00 C ATOM 0 H ALA A 85 87.932 -8.464 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 85 89.921 -7.349 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.948 -9.681 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.282 -9.071 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.920 -10.185 -0.346 1.00 0.00 H new ATOM 1397 N GLN A 86 90.745 -8.966 -2.521 1.00 0.00 N ATOM 1398 CA GLN A 86 91.918 -9.377 -3.340 1.00 0.00 C ATOM 1399 C GLN A 86 92.558 -8.141 -3.955 1.00 0.00 C ATOM 1400 O GLN A 86 93.764 -8.040 -4.070 1.00 0.00 O ATOM 1401 CB GLN A 86 91.453 -10.320 -4.446 1.00 0.00 C ATOM 1402 CG GLN A 86 92.658 -11.038 -5.049 1.00 0.00 C ATOM 1403 CD GLN A 86 92.271 -11.667 -6.385 1.00 0.00 C ATOM 1404 OE1 GLN A 86 91.120 -11.643 -6.773 1.00 0.00 O ATOM 1405 NE2 GLN A 86 93.193 -12.234 -7.109 1.00 0.00 N ATOM 0 H GLN A 86 89.844 -9.021 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 86 92.648 -9.888 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.747 -11.047 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.927 -9.759 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.478 -10.334 -5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 86 93.014 -11.807 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.159 -12.253 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.949 -12.659 -8.004 1.00 0.00 H new ATOM 1414 N LEU A 87 91.758 -7.192 -4.340 1.00 0.00 N ATOM 1415 CA LEU A 87 92.313 -5.955 -4.935 1.00 0.00 C ATOM 1416 C LEU A 87 92.963 -5.150 -3.819 1.00 0.00 C ATOM 1417 O LEU A 87 94.029 -4.589 -3.971 1.00 0.00 O ATOM 1418 CB LEU A 87 91.183 -5.143 -5.577 1.00 0.00 C ATOM 1419 CG LEU A 87 91.707 -3.774 -6.031 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.941 -3.956 -6.930 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.606 -3.044 -6.810 1.00 0.00 C ATOM 0 H LEU A 87 90.741 -7.222 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 87 93.048 -6.195 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.775 -5.685 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.369 -5.011 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 87 91.989 -3.187 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 87 93.307 -2.980 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.723 -4.473 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.669 -4.545 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.974 -2.071 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 90.324 -3.635 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.736 -2.907 -6.168 1.00 0.00 H new ATOM 1433 N ILE A 88 92.323 -5.110 -2.689 1.00 0.00 N ATOM 1434 CA ILE A 88 92.885 -4.365 -1.537 1.00 0.00 C ATOM 1435 C ILE A 88 94.121 -5.113 -1.038 1.00 0.00 C ATOM 1436 O ILE A 88 95.184 -4.547 -0.882 1.00 0.00 O ATOM 1437 CB ILE A 88 91.827 -4.290 -0.429 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.767 -3.253 -0.820 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.479 -3.881 0.901 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.599 -3.296 0.168 1.00 0.00 C ATOM 0 H ILE A 88 91.427 -5.565 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 88 93.164 -3.353 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 88 91.364 -5.269 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.208 -2.256 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.407 -3.452 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.718 -3.831 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.234 -4.617 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.949 -2.904 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.852 -2.556 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 88 89.149 -4.289 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.963 -3.074 1.171 1.00 0.00 H new ATOM 1452 N ALA A 89 93.988 -6.386 -0.800 1.00 0.00 N ATOM 1453 CA ALA A 89 95.153 -7.180 -0.321 1.00 0.00 C ATOM 1454 C ALA A 89 96.280 -7.067 -1.346 1.00 0.00 C ATOM 1455 O ALA A 89 97.425 -7.359 -1.065 1.00 0.00 O ATOM 1456 CB ALA A 89 94.747 -8.647 -0.174 1.00 0.00 C ATOM 0 H ALA A 89 93.122 -6.912 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 89 95.487 -6.801 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.600 -9.227 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.932 -8.729 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.418 -9.032 -1.139 1.00 0.00 H new ATOM 1462 N GLY A 90 95.953 -6.653 -2.541 1.00 0.00 N ATOM 1463 CA GLY A 90 96.990 -6.528 -3.606 1.00 0.00 C ATOM 1464 C GLY A 90 97.637 -5.141 -3.570 1.00 0.00 C ATOM 1465 O GLY A 90 98.781 -4.981 -3.941 1.00 0.00 O ATOM 0 H GLY A 90 95.008 -6.395 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.753 -7.294 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.538 -6.699 -4.583 1.00 0.00 H new ATOM 1469 N TYR A 91 96.929 -4.130 -3.136 1.00 0.00 N ATOM 1470 CA TYR A 91 97.541 -2.768 -3.099 1.00 0.00 C ATOM 1471 C TYR A 91 98.445 -2.652 -1.869 1.00 0.00 C ATOM 1472 O TYR A 91 99.386 -1.884 -1.846 1.00 0.00 O ATOM 1473 CB TYR A 91 96.437 -1.696 -3.014 1.00 0.00 C ATOM 1474 CG TYR A 91 95.886 -1.363 -4.392 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.739 -0.904 -5.413 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.513 -1.493 -4.642 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.215 -0.586 -6.672 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.994 -1.172 -5.901 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.844 -0.721 -6.916 1.00 0.00 C ATOM 1480 OH TYR A 91 94.331 -0.405 -8.157 1.00 0.00 O ATOM 0 H TYR A 91 95.964 -4.187 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 91 98.124 -2.615 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.630 -2.051 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.837 -0.794 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.797 -0.797 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.854 -1.842 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.870 -0.236 -7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.935 -1.273 -6.089 1.00 0.00 H new ATOM 0 HH TYR A 91 93.363 -0.556 -8.159 1.00 0.00 H new ATOM 1490 N ILE A 92 98.152 -3.395 -0.842 1.00 0.00 N ATOM 1491 CA ILE A 92 98.974 -3.318 0.395 1.00 0.00 C ATOM 1492 C ILE A 92 100.377 -3.870 0.132 1.00 0.00 C ATOM 1493 O ILE A 92 101.327 -3.526 0.807 1.00 0.00 O ATOM 1494 CB ILE A 92 98.290 -4.132 1.490 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.908 -3.529 1.755 1.00 0.00 C ATOM 1496 CG2 ILE A 92 99.129 -4.089 2.771 1.00 0.00 C ATOM 1497 CD1 ILE A 92 96.136 -4.416 2.731 1.00 0.00 C ATOM 0 H ILE A 92 97.375 -4.055 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 92 99.066 -2.278 0.710 1.00 0.00 H new ATOM 0 HB ILE A 92 98.189 -5.170 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 92 97.012 -2.525 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.356 -3.435 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.636 -4.672 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 92 100.116 -4.508 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.234 -3.056 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 92 95.153 -3.983 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 92 96.019 -5.412 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.685 -4.487 3.670 1.00 0.00 H new ATOM 1509 N ASP A 93 100.511 -4.727 -0.838 1.00 0.00 N ATOM 1510 CA ASP A 93 101.847 -5.311 -1.147 1.00 0.00 C ATOM 1511 C ASP A 93 102.629 -4.372 -2.067 1.00 0.00 C ATOM 1512 O ASP A 93 103.836 -4.449 -2.168 1.00 0.00 O ATOM 1513 CB ASP A 93 101.651 -6.657 -1.847 1.00 0.00 C ATOM 1514 CG ASP A 93 101.175 -7.702 -0.834 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.359 -7.479 0.351 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.635 -8.708 -1.263 1.00 0.00 O ATOM 0 H ASP A 93 99.750 -5.051 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 93 102.405 -5.448 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.921 -6.557 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.586 -6.980 -2.304 1.00 0.00 H new ATOM 1521 N ILE A 94 101.947 -3.497 -2.753 1.00 0.00 N ATOM 1522 CA ILE A 94 102.642 -2.562 -3.687 1.00 0.00 C ATOM 1523 C ILE A 94 103.112 -1.316 -2.940 1.00 0.00 C ATOM 1524 O ILE A 94 104.049 -0.659 -3.343 1.00 0.00 O ATOM 1525 CB ILE A 94 101.676 -2.154 -4.795 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.164 -3.412 -5.500 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.410 -1.267 -5.801 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.041 -3.042 -6.470 1.00 0.00 C ATOM 0 H ILE A 94 100.934 -3.388 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 94 103.510 -3.064 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 94 100.835 -1.604 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.979 -3.895 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.800 -4.129 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.724 -0.973 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.784 -0.376 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.246 -1.819 -6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.680 -3.941 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.222 -2.579 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.419 -2.341 -7.214 1.00 0.00 H new ATOM 1540 N ILE A 95 102.475 -0.985 -1.855 1.00 0.00 N ATOM 1541 CA ILE A 95 102.897 0.223 -1.088 1.00 0.00 C ATOM 1542 C ILE A 95 104.058 -0.148 -0.176 1.00 0.00 C ATOM 1543 O ILE A 95 104.945 0.641 0.083 1.00 0.00 O ATOM 1544 CB ILE A 95 101.733 0.721 -0.235 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.228 -0.418 0.656 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.604 1.203 -1.146 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.972 0.038 1.402 1.00 0.00 C ATOM 0 H ILE A 95 101.683 -1.495 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 95 103.202 1.007 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 95 102.068 1.547 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.006 -1.297 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.001 -0.708 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.772 1.559 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.966 2.015 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.267 0.379 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.612 -0.772 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.210 0.904 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.199 0.307 0.682 1.00 0.00 H new ATOM 1559 N LEU A 96 104.045 -1.348 0.317 1.00 0.00 N ATOM 1560 CA LEU A 96 105.130 -1.803 1.226 1.00 0.00 C ATOM 1561 C LEU A 96 106.353 -2.210 0.397 1.00 0.00 C ATOM 1562 O LEU A 96 107.470 -2.210 0.876 1.00 0.00 O ATOM 1563 CB LEU A 96 104.609 -3.005 2.033 1.00 0.00 C ATOM 1564 CG LEU A 96 103.945 -2.526 3.343 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.954 -3.583 3.835 1.00 0.00 C ATOM 1566 CD2 LEU A 96 105.011 -2.302 4.425 1.00 0.00 C ATOM 0 H LEU A 96 103.322 -2.043 0.129 1.00 0.00 H new ATOM 0 HA LEU A 96 105.422 -1.002 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.890 -3.567 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.432 -3.682 2.261 1.00 0.00 H new ATOM 0 HG LEU A 96 103.423 -1.589 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.487 -3.242 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.186 -3.742 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.482 -4.519 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.531 -1.965 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.540 -3.236 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.720 -1.546 4.087 1.00 0.00 H new ATOM 1681 N TRP B 2 88.802 -14.887 9.483 1.00 0.00 N ATOM 1682 CA TRP B 2 89.303 -13.490 9.347 1.00 0.00 C ATOM 1683 C TRP B 2 90.546 -13.473 8.447 1.00 0.00 C ATOM 1684 O TRP B 2 91.000 -14.492 7.966 1.00 0.00 O ATOM 1685 CB TRP B 2 89.669 -12.943 10.741 1.00 0.00 C ATOM 1686 CG TRP B 2 88.466 -12.350 11.407 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.804 -12.899 12.449 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.787 -11.099 11.103 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.761 -12.062 12.807 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.710 -10.938 12.006 1.00 0.00 C ATOM 1691 CE3 TRP B 2 88.002 -10.099 10.141 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.875 -9.821 11.955 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.165 -8.973 10.086 1.00 0.00 C ATOM 1694 CH2 TRP B 2 86.105 -8.834 10.991 1.00 0.00 C ATOM 0 HA TRP B 2 88.528 -12.867 8.901 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.074 -13.745 11.358 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.449 -12.188 10.648 1.00 0.00 H new ATOM 0 HD1 TRP B 2 88.048 -13.837 12.925 1.00 0.00 H new ATOM 0 HE1 TRP B 2 86.110 -12.252 13.569 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.817 -10.197 9.439 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 85.058 -9.720 12.654 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.339 -8.210 9.342 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.465 -7.965 10.944 1.00 0.00 H new ATOM 1705 N VAL B 3 91.097 -12.310 8.231 1.00 0.00 N ATOM 1706 CA VAL B 3 92.308 -12.183 7.381 1.00 0.00 C ATOM 1707 C VAL B 3 92.994 -10.857 7.732 1.00 0.00 C ATOM 1708 O VAL B 3 92.340 -9.868 7.998 1.00 0.00 O ATOM 1709 CB VAL B 3 91.902 -12.215 5.905 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.682 -11.325 5.699 1.00 0.00 C ATOM 1711 CG2 VAL B 3 93.061 -11.718 5.032 1.00 0.00 C ATOM 0 H VAL B 3 90.751 -11.430 8.615 1.00 0.00 H new ATOM 0 HA VAL B 3 92.998 -13.008 7.558 1.00 0.00 H new ATOM 0 HB VAL B 3 91.659 -13.238 5.619 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.390 -11.345 4.649 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.858 -11.690 6.312 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.925 -10.303 5.988 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.764 -11.744 3.984 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.315 -10.696 5.312 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.929 -12.361 5.179 1.00 0.00 H new ATOM 1745 N SER B 5 96.957 -8.326 7.342 1.00 0.00 N ATOM 1746 CA SER B 5 97.986 -7.900 6.352 1.00 0.00 C ATOM 1747 C SER B 5 99.226 -7.421 7.128 1.00 0.00 C ATOM 1748 O SER B 5 99.138 -7.187 8.317 1.00 0.00 O ATOM 1749 CB SER B 5 97.412 -6.754 5.496 1.00 0.00 C ATOM 1750 OG SER B 5 98.160 -5.562 5.717 1.00 0.00 O ATOM 0 HA SER B 5 98.262 -8.724 5.695 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.446 -7.025 4.441 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.365 -6.589 5.749 1.00 0.00 H new ATOM 0 HG SER B 5 98.056 -5.279 6.649 1.00 0.00 H new ATOM 1756 N PRO B 6 100.346 -7.279 6.452 1.00 0.00 N ATOM 1757 CA PRO B 6 101.580 -6.820 7.115 1.00 0.00 C ATOM 1758 C PRO B 6 101.345 -5.422 7.712 1.00 0.00 C ATOM 1759 O PRO B 6 100.955 -5.291 8.856 1.00 0.00 O ATOM 1760 CB PRO B 6 102.652 -6.806 5.996 1.00 0.00 C ATOM 1761 CG PRO B 6 101.932 -7.150 4.659 1.00 0.00 C ATOM 1762 CD PRO B 6 100.480 -7.554 5.004 1.00 0.00 C ATOM 0 HA PRO B 6 101.894 -7.459 7.940 1.00 0.00 H new ATOM 0 HB2 PRO B 6 103.130 -5.828 5.934 1.00 0.00 H new ATOM 0 HB3 PRO B 6 103.437 -7.532 6.207 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.942 -6.292 3.986 1.00 0.00 H new ATOM 0 HG3 PRO B 6 102.445 -7.963 4.146 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.760 -6.977 4.423 1.00 0.00 H new ATOM 0 HD3 PRO B 6 100.299 -8.606 4.782 1.00 0.00 H new ATOM 1770 N LEU B 7 101.566 -4.385 6.942 1.00 0.00 N ATOM 1771 CA LEU B 7 101.350 -2.995 7.443 1.00 0.00 C ATOM 1772 C LEU B 7 101.830 -2.866 8.893 1.00 0.00 C ATOM 1773 O LEU B 7 101.042 -2.832 9.818 1.00 0.00 O ATOM 1774 CB LEU B 7 99.860 -2.665 7.362 1.00 0.00 C ATOM 1775 CG LEU B 7 99.438 -2.492 5.894 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.909 -2.445 5.814 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.029 -1.191 5.306 1.00 0.00 C ATOM 0 H LEU B 7 101.891 -4.445 5.977 1.00 0.00 H new ATOM 0 HA LEU B 7 101.921 -2.299 6.828 1.00 0.00 H new ATOM 0 HB2 LEU B 7 99.277 -3.461 7.825 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.651 -1.752 7.919 1.00 0.00 H new ATOM 0 HG LEU B 7 99.816 -3.335 5.315 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.603 -2.322 4.775 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.495 -3.374 6.207 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.539 -1.605 6.403 1.00 0.00 H new ATOM 0 HD21 LEU B 7 99.718 -1.088 4.266 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.669 -0.336 5.879 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.117 -1.230 5.357 1.00 0.00 H new