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 48 SER OG : rot -117:sc= 0.254 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0499 (180deg=-0.392) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -4.04 (180deg=-5.42!) USER MOD Single : A 29 THR OG1 : rot 82:sc= 0.0286 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.777 USER MOD Single : A 34 MET CE :methyl 165:sc= -1.01 (180deg=-1.28) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0395 (180deg=-0.387) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 51 ASN : amide:sc= -2.63! K(o=-2.6!,f=-3.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 80:sc= 0.588 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.45! C(o=-3.4!,f=-5.4!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -68:sc= 0.931 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.93) USER MOD Single : A 78 THR OG1 : rot 21:sc= -0.199 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -7.38! C(o=-7.4!,f=-5!) USER MOD Single : A 86 GLN : amide:sc= -0.914 K(o=-0.91,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -73:sc= -1.75 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.924 5.354 -10.458 1.00 0.00 N ATOM 87 CA VAL A 6 89.695 4.472 -9.269 1.00 0.00 C ATOM 88 C VAL A 6 88.531 3.521 -9.557 1.00 0.00 C ATOM 89 O VAL A 6 87.547 3.897 -10.162 1.00 0.00 O ATOM 90 CB VAL A 6 89.354 5.345 -8.060 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.246 4.470 -6.811 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.460 6.387 -7.860 1.00 0.00 C ATOM 0 HA VAL A 6 90.593 3.890 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 6 88.403 5.849 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 6 89.003 5.093 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.462 3.727 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.196 3.965 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.220 7.011 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.410 5.881 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.537 7.011 -8.750 1.00 0.00 H new ATOM 102 N SER A 7 88.638 2.289 -9.134 1.00 0.00 N ATOM 103 CA SER A 7 87.540 1.314 -9.391 1.00 0.00 C ATOM 104 C SER A 7 86.451 1.468 -8.329 1.00 0.00 C ATOM 105 O SER A 7 86.657 1.198 -7.164 1.00 0.00 O ATOM 106 CB SER A 7 88.097 -0.103 -9.340 1.00 0.00 C ATOM 107 OG SER A 7 89.317 -0.157 -10.067 1.00 0.00 O ATOM 0 H SER A 7 89.438 1.917 -8.622 1.00 0.00 H new ATOM 0 HA SER A 7 87.114 1.506 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.264 -0.403 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.377 -0.804 -9.763 1.00 0.00 H new ATOM 0 HG SER A 7 89.678 -1.068 -10.034 1.00 0.00 H new ATOM 113 N PHE A 8 85.293 1.898 -8.737 1.00 0.00 N ATOM 114 CA PHE A 8 84.159 2.087 -7.782 1.00 0.00 C ATOM 115 C PHE A 8 83.302 0.816 -7.741 1.00 0.00 C ATOM 116 O PHE A 8 82.809 0.359 -8.753 1.00 0.00 O ATOM 117 CB PHE A 8 83.314 3.265 -8.266 1.00 0.00 C ATOM 118 CG PHE A 8 84.234 4.371 -8.724 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.790 5.249 -7.787 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.538 4.511 -10.083 1.00 0.00 C ATOM 121 CE1 PHE A 8 85.651 6.268 -8.209 1.00 0.00 C ATOM 122 CE2 PHE A 8 85.398 5.532 -10.505 1.00 0.00 C ATOM 123 CZ PHE A 8 85.955 6.409 -9.568 1.00 0.00 C ATOM 0 H PHE A 8 85.077 2.131 -9.706 1.00 0.00 H new ATOM 0 HA PHE A 8 84.540 2.286 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.664 2.952 -9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 8 82.668 3.620 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 8 84.555 5.140 -6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 8 84.110 3.832 -10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 8 86.081 6.946 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.631 5.643 -11.554 1.00 0.00 H new ATOM 0 HZ PHE A 8 86.620 7.195 -9.893 1.00 0.00 H new ATOM 133 N PHE A 9 83.121 0.245 -6.576 1.00 0.00 N ATOM 134 CA PHE A 9 82.295 -1.000 -6.455 1.00 0.00 C ATOM 135 C PHE A 9 80.913 -0.640 -5.896 1.00 0.00 C ATOM 136 O PHE A 9 80.801 0.027 -4.886 1.00 0.00 O ATOM 137 CB PHE A 9 82.982 -1.972 -5.486 1.00 0.00 C ATOM 138 CG PHE A 9 84.136 -2.672 -6.170 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.357 -2.009 -6.338 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.987 -3.990 -6.623 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.429 -2.663 -6.959 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.059 -4.642 -7.245 1.00 0.00 C ATOM 143 CZ PHE A 9 86.279 -3.979 -7.412 1.00 0.00 C ATOM 0 H PHE A 9 83.511 0.588 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 9 82.190 -1.463 -7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.344 -1.430 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.262 -2.708 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.473 -0.994 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.045 -4.503 -6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.371 -2.152 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.944 -5.657 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.106 -4.483 -7.891 1.00 0.00 H new ATOM 153 N LEU A 10 79.860 -1.089 -6.527 1.00 0.00 N ATOM 154 CA LEU A 10 78.500 -0.778 -6.003 1.00 0.00 C ATOM 155 C LEU A 10 78.208 -1.693 -4.826 1.00 0.00 C ATOM 156 O LEU A 10 78.170 -2.901 -4.953 1.00 0.00 O ATOM 157 CB LEU A 10 77.440 -0.991 -7.096 1.00 0.00 C ATOM 158 CG LEU A 10 76.000 -0.901 -6.488 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.089 -0.067 -7.395 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.388 -2.304 -6.349 1.00 0.00 C ATOM 0 H LEU A 10 79.883 -1.653 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 10 78.466 0.265 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.559 -0.240 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.583 -1.965 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 10 76.080 -0.432 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.091 -0.014 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.496 0.939 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.030 -0.533 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.387 -2.224 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.330 -2.774 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.013 -2.910 -5.693 1.00 0.00 H new ATOM 172 N VAL A 11 78.001 -1.116 -3.678 1.00 0.00 N ATOM 173 CA VAL A 11 77.699 -1.916 -2.462 1.00 0.00 C ATOM 174 C VAL A 11 76.474 -1.308 -1.794 1.00 0.00 C ATOM 175 O VAL A 11 76.207 -0.131 -1.935 1.00 0.00 O ATOM 176 CB VAL A 11 78.896 -1.867 -1.507 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.168 -2.275 -2.261 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.066 -0.445 -0.960 1.00 0.00 C ATOM 0 H VAL A 11 78.029 -0.107 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 11 77.506 -2.956 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 11 78.723 -2.555 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.020 -2.240 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.053 -3.288 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.336 -1.587 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.919 -0.416 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.236 0.245 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.164 -0.152 -0.423 1.00 0.00 H new ATOM 188 N LYS A 12 75.728 -2.095 -1.068 1.00 0.00 N ATOM 189 CA LYS A 12 74.511 -1.563 -0.384 1.00 0.00 C ATOM 190 C LYS A 12 74.801 -1.473 1.108 1.00 0.00 C ATOM 191 O LYS A 12 75.532 -2.272 1.661 1.00 0.00 O ATOM 192 CB LYS A 12 73.315 -2.505 -0.654 1.00 0.00 C ATOM 193 CG LYS A 12 72.384 -1.893 -1.710 1.00 0.00 C ATOM 194 CD LYS A 12 71.346 -2.931 -2.131 1.00 0.00 C ATOM 195 CE LYS A 12 70.546 -2.401 -3.321 1.00 0.00 C ATOM 196 NZ LYS A 12 71.416 -2.376 -4.530 1.00 0.00 N ATOM 0 H LYS A 12 75.908 -3.088 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 12 74.258 -0.573 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.677 -3.475 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.764 -2.678 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.889 -1.010 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 12 72.961 -1.568 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 12 71.839 -3.866 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.677 -3.150 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.676 -3.033 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.174 -1.399 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.823 -2.384 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.999 -1.515 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.034 -3.212 -4.530 1.00 0.00 H new ATOM 210 N GLU A 13 74.241 -0.488 1.754 1.00 0.00 N ATOM 211 CA GLU A 13 74.475 -0.297 3.217 1.00 0.00 C ATOM 212 C GLU A 13 73.143 -0.324 3.953 1.00 0.00 C ATOM 213 O GLU A 13 72.094 -0.131 3.372 1.00 0.00 O ATOM 214 CB GLU A 13 75.146 1.055 3.446 1.00 0.00 C ATOM 215 CG GLU A 13 76.310 1.215 2.469 1.00 0.00 C ATOM 216 CD GLU A 13 77.196 2.379 2.914 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.678 3.284 3.548 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.378 2.347 2.614 1.00 0.00 O ATOM 0 H GLU A 13 73.623 0.202 1.327 1.00 0.00 H new ATOM 0 HA GLU A 13 75.115 -1.096 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.425 1.860 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.506 1.126 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.893 0.295 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.932 1.397 1.463 1.00 0.00 H new ATOM 225 N LYS A 14 73.184 -0.557 5.235 1.00 0.00 N ATOM 226 CA LYS A 14 71.935 -0.597 6.045 1.00 0.00 C ATOM 227 C LYS A 14 71.820 0.704 6.835 1.00 0.00 C ATOM 228 O LYS A 14 72.624 0.997 7.696 1.00 0.00 O ATOM 229 CB LYS A 14 71.995 -1.785 7.017 1.00 0.00 C ATOM 230 CG LYS A 14 71.560 -3.068 6.301 1.00 0.00 C ATOM 231 CD LYS A 14 72.366 -3.242 5.006 1.00 0.00 C ATOM 232 CE LYS A 14 72.315 -4.708 4.567 1.00 0.00 C ATOM 233 NZ LYS A 14 72.756 -4.822 3.150 1.00 0.00 N ATOM 0 H LYS A 14 74.041 -0.724 5.762 1.00 0.00 H new ATOM 0 HA LYS A 14 71.070 -0.711 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 73.008 -1.899 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.347 -1.598 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.712 -3.928 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.495 -3.025 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.959 -2.602 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.400 -2.934 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 72.957 -5.312 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 14 71.302 -5.095 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.398 -5.710 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.384 -4.018 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.795 -4.817 3.108 1.00 0.00 H new ATOM 351 N LEU A 21 67.855 -0.793 2.406 1.00 0.00 N ATOM 352 CA LEU A 21 69.313 -0.831 2.081 1.00 0.00 C ATOM 353 C LEU A 21 69.644 0.456 1.328 1.00 0.00 C ATOM 354 O LEU A 21 68.771 1.078 0.756 1.00 0.00 O ATOM 355 CB LEU A 21 69.658 -2.041 1.179 1.00 0.00 C ATOM 356 CG LEU A 21 68.873 -3.299 1.594 1.00 0.00 C ATOM 357 CD1 LEU A 21 68.931 -4.332 0.464 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.491 -3.906 2.860 1.00 0.00 C ATOM 0 HA LEU A 21 69.888 -0.924 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.433 -1.797 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.728 -2.244 1.235 1.00 0.00 H new ATOM 0 HG LEU A 21 67.837 -3.023 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.376 -5.223 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.489 -3.909 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.969 -4.600 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.931 -4.796 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.528 -4.178 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.454 -3.176 3.669 1.00 0.00 H new ATOM 370 N VAL A 22 70.888 0.865 1.319 1.00 0.00 N ATOM 371 CA VAL A 22 71.262 2.125 0.590 1.00 0.00 C ATOM 372 C VAL A 22 72.455 1.838 -0.362 1.00 0.00 C ATOM 373 O VAL A 22 73.540 1.568 0.115 1.00 0.00 O ATOM 374 CB VAL A 22 71.675 3.184 1.639 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.509 4.294 0.982 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.421 3.811 2.272 1.00 0.00 C ATOM 0 H VAL A 22 71.661 0.386 1.782 1.00 0.00 H new ATOM 0 HA VAL A 22 70.420 2.488 0.001 1.00 0.00 H new ATOM 0 HB VAL A 22 72.271 2.691 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.791 5.031 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.408 3.862 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.921 4.778 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.719 4.556 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.822 4.288 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.832 3.034 2.759 1.00 0.00 H new ATOM 386 N PRO A 23 72.258 1.933 -1.678 1.00 0.00 N ATOM 387 CA PRO A 23 73.366 1.712 -2.633 1.00 0.00 C ATOM 388 C PRO A 23 74.523 2.672 -2.331 1.00 0.00 C ATOM 389 O PRO A 23 74.324 3.780 -1.874 1.00 0.00 O ATOM 390 CB PRO A 23 72.751 2.008 -4.018 1.00 0.00 C ATOM 391 CG PRO A 23 71.217 2.026 -3.834 1.00 0.00 C ATOM 392 CD PRO A 23 70.954 2.222 -2.327 1.00 0.00 C ATOM 0 HA PRO A 23 73.776 0.703 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.105 2.965 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.044 1.247 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.767 2.832 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.774 1.095 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.620 3.237 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.175 1.548 -1.970 1.00 0.00 H new ATOM 400 N ARG A 24 75.730 2.248 -2.583 1.00 0.00 N ATOM 401 CA ARG A 24 76.905 3.126 -2.311 1.00 0.00 C ATOM 402 C ARG A 24 78.055 2.729 -3.237 1.00 0.00 C ATOM 403 O ARG A 24 78.229 1.571 -3.561 1.00 0.00 O ATOM 404 CB ARG A 24 77.330 2.952 -0.846 1.00 0.00 C ATOM 405 CG ARG A 24 78.245 4.111 -0.408 1.00 0.00 C ATOM 406 CD ARG A 24 77.399 5.289 0.091 1.00 0.00 C ATOM 407 NE ARG A 24 76.815 4.955 1.420 1.00 0.00 N ATOM 408 CZ ARG A 24 76.328 5.901 2.175 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.353 7.140 1.768 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.813 5.606 3.338 1.00 0.00 N ATOM 0 H ARG A 24 75.955 1.330 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 24 76.643 4.169 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.448 2.916 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.851 2.003 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.917 3.776 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.868 4.429 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.014 6.185 0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.604 5.508 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 24 76.796 3.987 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.754 7.370 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.972 7.879 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.792 4.637 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.432 6.345 3.929 1.00 0.00 H new ATOM 424 N LEU A 25 78.850 3.679 -3.652 1.00 0.00 N ATOM 425 CA LEU A 25 80.005 3.371 -4.544 1.00 0.00 C ATOM 426 C LEU A 25 81.275 3.406 -3.690 1.00 0.00 C ATOM 427 O LEU A 25 81.406 4.227 -2.804 1.00 0.00 O ATOM 428 CB LEU A 25 80.070 4.428 -5.646 1.00 0.00 C ATOM 429 CG LEU A 25 79.036 4.117 -6.742 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.929 5.317 -7.691 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.443 2.861 -7.542 1.00 0.00 C ATOM 0 H LEU A 25 78.747 4.664 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 25 79.901 2.390 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 25 79.879 5.415 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.071 4.454 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 25 78.072 3.927 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.197 5.101 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.614 6.197 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.900 5.507 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.696 2.662 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.412 3.027 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.508 2.006 -6.869 1.00 0.00 H new ATOM 443 N LEU A 26 82.195 2.504 -3.926 1.00 0.00 N ATOM 444 CA LEU A 26 83.448 2.455 -3.104 1.00 0.00 C ATOM 445 C LEU A 26 84.680 2.427 -4.015 1.00 0.00 C ATOM 446 O LEU A 26 84.972 1.441 -4.663 1.00 0.00 O ATOM 447 CB LEU A 26 83.408 1.183 -2.247 1.00 0.00 C ATOM 448 CG LEU A 26 84.560 1.178 -1.225 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.245 2.115 -0.048 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.756 -0.245 -0.689 1.00 0.00 C ATOM 0 H LEU A 26 82.133 1.795 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 26 83.511 3.339 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.453 1.120 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.480 0.304 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 26 85.467 1.524 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.071 2.097 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.107 3.131 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.333 1.783 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.571 -0.252 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.839 -0.581 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.998 -0.915 -1.514 1.00 0.00 H new ATOM 462 N GLY A 27 85.402 3.512 -4.053 1.00 0.00 N ATOM 463 CA GLY A 27 86.625 3.599 -4.899 1.00 0.00 C ATOM 464 C GLY A 27 87.819 2.991 -4.168 1.00 0.00 C ATOM 465 O GLY A 27 88.130 3.362 -3.054 1.00 0.00 O ATOM 0 H GLY A 27 85.192 4.358 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.462 3.076 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.832 4.641 -5.145 1.00 0.00 H new ATOM 469 N ILE A 28 88.501 2.066 -4.796 1.00 0.00 N ATOM 470 CA ILE A 28 89.696 1.433 -4.154 1.00 0.00 C ATOM 471 C ILE A 28 90.959 2.006 -4.793 1.00 0.00 C ATOM 472 O ILE A 28 91.248 1.751 -5.945 1.00 0.00 O ATOM 473 CB ILE A 28 89.669 -0.085 -4.381 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.289 -0.652 -4.019 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.736 -0.746 -3.508 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.857 -0.155 -2.640 1.00 0.00 C ATOM 0 H ILE A 28 88.281 1.720 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 28 89.684 1.638 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 28 89.871 -0.291 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.557 -0.350 -4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.322 -1.741 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.719 -1.824 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.718 -0.355 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.532 -0.531 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.877 -0.565 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.582 -0.479 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.804 0.934 -2.646 1.00 0.00 H new ATOM 488 N THR A 29 91.716 2.778 -4.052 1.00 0.00 N ATOM 489 CA THR A 29 92.970 3.376 -4.607 1.00 0.00 C ATOM 490 C THR A 29 94.174 2.681 -3.969 1.00 0.00 C ATOM 491 O THR A 29 94.058 2.019 -2.956 1.00 0.00 O ATOM 492 CB THR A 29 92.998 4.881 -4.284 1.00 0.00 C ATOM 493 OG1 THR A 29 91.673 5.392 -4.333 1.00 0.00 O ATOM 494 CG2 THR A 29 93.865 5.619 -5.308 1.00 0.00 C ATOM 0 H THR A 29 91.518 3.021 -3.081 1.00 0.00 H new ATOM 0 HA THR A 29 93.006 3.242 -5.688 1.00 0.00 H new ATOM 0 HB THR A 29 93.417 5.029 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.215 5.196 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 29 93.880 6.683 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.881 5.226 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.452 5.474 -6.306 1.00 0.00 H new ATOM 502 N LYS A 30 95.326 2.826 -4.553 1.00 0.00 N ATOM 503 CA LYS A 30 96.537 2.175 -3.984 1.00 0.00 C ATOM 504 C LYS A 30 96.966 2.924 -2.724 1.00 0.00 C ATOM 505 O LYS A 30 97.680 2.401 -1.891 1.00 0.00 O ATOM 506 CB LYS A 30 97.666 2.225 -5.016 1.00 0.00 C ATOM 507 CG LYS A 30 98.047 3.686 -5.268 1.00 0.00 C ATOM 508 CD LYS A 30 98.947 3.796 -6.508 1.00 0.00 C ATOM 509 CE LYS A 30 98.143 3.534 -7.793 1.00 0.00 C ATOM 510 NZ LYS A 30 98.796 4.241 -8.931 1.00 0.00 N ATOM 0 H LYS A 30 95.484 3.368 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 30 96.316 1.137 -3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.530 1.667 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.347 1.753 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.147 4.284 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.565 4.089 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.395 4.789 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.765 3.080 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.094 2.464 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.117 3.883 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.257 4.067 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.821 5.262 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.767 3.887 -9.048 1.00 0.00 H new ATOM 524 N GLU A 31 96.544 4.152 -2.588 1.00 0.00 N ATOM 525 CA GLU A 31 96.929 4.962 -1.394 1.00 0.00 C ATOM 526 C GLU A 31 95.783 5.003 -0.380 1.00 0.00 C ATOM 527 O GLU A 31 95.987 5.322 0.774 1.00 0.00 O ATOM 528 CB GLU A 31 97.247 6.395 -1.837 1.00 0.00 C ATOM 529 CG GLU A 31 98.473 6.410 -2.763 1.00 0.00 C ATOM 530 CD GLU A 31 99.176 7.771 -2.684 1.00 0.00 C ATOM 531 OE1 GLU A 31 99.366 8.254 -1.580 1.00 0.00 O ATOM 532 OE2 GLU A 31 99.510 8.303 -3.729 1.00 0.00 O ATOM 0 H GLU A 31 95.944 4.634 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 31 97.802 4.504 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 31 96.388 6.822 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 31 97.435 7.019 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.164 5.618 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.166 6.210 -3.789 1.00 0.00 H new ATOM 539 N CYS A 32 94.577 4.705 -0.786 1.00 0.00 N ATOM 540 CA CYS A 32 93.453 4.763 0.193 1.00 0.00 C ATOM 541 C CYS A 32 92.157 4.234 -0.433 1.00 0.00 C ATOM 542 O CYS A 32 92.038 4.095 -1.633 1.00 0.00 O ATOM 543 CB CYS A 32 93.251 6.234 0.617 1.00 0.00 C ATOM 544 SG CYS A 32 93.756 7.327 -0.735 1.00 0.00 S ATOM 0 H CYS A 32 94.324 4.429 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 32 93.696 4.142 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.206 6.410 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.836 6.450 1.511 1.00 0.00 H new ATOM 0 HG CYS A 32 93.584 8.565 -0.379 1.00 0.00 H new ATOM 550 N VAL A 33 91.169 3.986 0.389 1.00 0.00 N ATOM 551 CA VAL A 33 89.847 3.519 -0.122 1.00 0.00 C ATOM 552 C VAL A 33 88.954 4.751 -0.177 1.00 0.00 C ATOM 553 O VAL A 33 88.947 5.537 0.745 1.00 0.00 O ATOM 554 CB VAL A 33 89.252 2.491 0.845 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.845 2.105 0.386 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.139 1.245 0.873 1.00 0.00 C ATOM 0 H VAL A 33 91.224 4.089 1.402 1.00 0.00 H new ATOM 0 HA VAL A 33 89.940 3.048 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 33 89.199 2.924 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.425 1.374 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.212 2.992 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.894 1.674 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.716 0.513 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.193 0.814 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.141 1.519 1.205 1.00 0.00 H new ATOM 566 N MET A 34 88.224 4.961 -1.246 1.00 0.00 N ATOM 567 CA MET A 34 87.374 6.191 -1.331 1.00 0.00 C ATOM 568 C MET A 34 85.914 5.870 -1.043 1.00 0.00 C ATOM 569 O MET A 34 85.368 4.905 -1.538 1.00 0.00 O ATOM 570 CB MET A 34 87.487 6.791 -2.740 1.00 0.00 C ATOM 571 CG MET A 34 88.910 6.601 -3.270 1.00 0.00 C ATOM 572 SD MET A 34 89.193 7.741 -4.647 1.00 0.00 S ATOM 573 CE MET A 34 89.851 9.117 -3.675 1.00 0.00 C ATOM 0 H MET A 34 88.179 4.342 -2.055 1.00 0.00 H new ATOM 0 HA MET A 34 87.727 6.903 -0.585 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.773 6.310 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.237 7.852 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.634 6.785 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.053 5.572 -3.600 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.339 9.830 -4.339 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.036 9.612 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.575 8.739 -2.953 1.00 0.00 H new ATOM 583 N ARG A 35 85.261 6.707 -0.279 1.00 0.00 N ATOM 584 CA ARG A 35 83.815 6.481 -0.001 1.00 0.00 C ATOM 585 C ARG A 35 83.058 7.285 -1.044 1.00 0.00 C ATOM 586 O ARG A 35 83.219 8.486 -1.141 1.00 0.00 O ATOM 587 CB ARG A 35 83.448 6.998 1.396 1.00 0.00 C ATOM 588 CG ARG A 35 83.998 6.057 2.492 1.00 0.00 C ATOM 589 CD ARG A 35 83.096 6.106 3.741 1.00 0.00 C ATOM 590 NE ARG A 35 82.440 7.441 3.835 1.00 0.00 N ATOM 591 CZ ARG A 35 81.433 7.617 4.647 1.00 0.00 C ATOM 592 NH1 ARG A 35 81.010 6.629 5.387 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.851 8.783 4.721 1.00 0.00 N ATOM 0 H ARG A 35 85.666 7.533 0.162 1.00 0.00 H new ATOM 0 HA ARG A 35 83.572 5.419 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.852 8.001 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.365 7.075 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.050 5.037 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.014 6.351 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.341 5.322 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.688 5.917 4.637 1.00 0.00 H new ATOM 0 HE ARG A 35 82.778 8.217 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.466 5.718 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.223 6.767 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.183 9.556 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.064 8.921 5.355 1.00 0.00 H new ATOM 607 N VAL A 36 82.268 6.633 -1.859 1.00 0.00 N ATOM 608 CA VAL A 36 81.539 7.358 -2.939 1.00 0.00 C ATOM 609 C VAL A 36 80.051 7.022 -2.896 1.00 0.00 C ATOM 610 O VAL A 36 79.660 5.873 -2.916 1.00 0.00 O ATOM 611 CB VAL A 36 82.124 6.925 -4.284 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.502 7.750 -5.414 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.640 7.138 -4.272 1.00 0.00 C ATOM 0 H VAL A 36 82.097 5.628 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 36 81.652 8.433 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 36 81.903 5.870 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.924 7.436 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.423 7.596 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.716 8.807 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.058 6.830 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.858 8.193 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.085 6.544 -3.474 1.00 0.00 H new ATOM 623 N ASP A 37 79.219 8.025 -2.857 1.00 0.00 N ATOM 624 CA ASP A 37 77.756 7.776 -2.834 1.00 0.00 C ATOM 625 C ASP A 37 77.326 7.293 -4.213 1.00 0.00 C ATOM 626 O ASP A 37 77.895 7.666 -5.214 1.00 0.00 O ATOM 627 CB ASP A 37 77.014 9.070 -2.486 1.00 0.00 C ATOM 628 CG ASP A 37 75.563 8.747 -2.125 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.040 7.785 -2.663 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.000 9.467 -1.318 1.00 0.00 O ATOM 0 H ASP A 37 79.492 9.008 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 37 77.519 7.023 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.505 9.569 -1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.045 9.758 -3.331 1.00 0.00 H new ATOM 635 N GLU A 38 76.329 6.466 -4.273 1.00 0.00 N ATOM 636 CA GLU A 38 75.854 5.953 -5.586 1.00 0.00 C ATOM 637 C GLU A 38 74.803 6.917 -6.103 1.00 0.00 C ATOM 638 O GLU A 38 74.490 6.976 -7.275 1.00 0.00 O ATOM 639 CB GLU A 38 75.238 4.580 -5.353 1.00 0.00 C ATOM 640 CG GLU A 38 75.069 3.823 -6.668 1.00 0.00 C ATOM 641 CD GLU A 38 73.909 4.426 -7.462 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.802 4.425 -6.949 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.148 4.879 -8.570 1.00 0.00 O ATOM 0 H GLU A 38 75.816 6.118 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 38 76.665 5.871 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.870 4.004 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.269 4.691 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.989 3.877 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.878 2.768 -6.470 1.00 0.00 H new ATOM 650 N LYS A 39 74.267 7.671 -5.203 1.00 0.00 N ATOM 651 CA LYS A 39 73.228 8.660 -5.549 1.00 0.00 C ATOM 652 C LYS A 39 73.871 9.860 -6.236 1.00 0.00 C ATOM 653 O LYS A 39 73.464 10.272 -7.304 1.00 0.00 O ATOM 654 CB LYS A 39 72.568 9.111 -4.254 1.00 0.00 C ATOM 655 CG LYS A 39 71.429 10.086 -4.559 1.00 0.00 C ATOM 656 CD LYS A 39 70.795 10.551 -3.249 1.00 0.00 C ATOM 657 CE LYS A 39 69.627 11.492 -3.553 1.00 0.00 C ATOM 658 NZ LYS A 39 70.146 12.739 -4.182 1.00 0.00 N ATOM 0 H LYS A 39 74.512 7.643 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 39 72.493 8.221 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.183 8.247 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.304 9.590 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.808 10.942 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.680 9.603 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.444 9.692 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.537 11.061 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.917 11.004 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.090 11.731 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 69.428 13.488 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 71.011 13.042 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.362 12.559 -5.183 1.00 0.00 H new ATOM 672 N THR A 40 74.867 10.432 -5.616 1.00 0.00 N ATOM 673 CA THR A 40 75.546 11.625 -6.206 1.00 0.00 C ATOM 674 C THR A 40 76.860 11.212 -6.875 1.00 0.00 C ATOM 675 O THR A 40 77.554 12.035 -7.439 1.00 0.00 O ATOM 676 CB THR A 40 75.845 12.634 -5.093 1.00 0.00 C ATOM 677 OG1 THR A 40 76.497 11.972 -4.018 1.00 0.00 O ATOM 678 CG2 THR A 40 74.536 13.250 -4.597 1.00 0.00 C ATOM 0 H THR A 40 75.243 10.123 -4.720 1.00 0.00 H new ATOM 0 HA THR A 40 74.892 12.072 -6.954 1.00 0.00 H new ATOM 0 HB THR A 40 76.491 13.422 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.690 12.617 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.749 13.968 -3.805 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.037 13.758 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.888 12.464 -4.210 1.00 0.00 H new ATOM 686 N LYS A 41 77.218 9.953 -6.825 1.00 0.00 N ATOM 687 CA LYS A 41 78.497 9.533 -7.471 1.00 0.00 C ATOM 688 C LYS A 41 79.620 10.477 -7.034 1.00 0.00 C ATOM 689 O LYS A 41 80.616 10.627 -7.714 1.00 0.00 O ATOM 690 CB LYS A 41 78.347 9.592 -8.999 1.00 0.00 C ATOM 691 CG LYS A 41 77.353 8.513 -9.492 1.00 0.00 C ATOM 692 CD LYS A 41 75.925 9.088 -9.563 1.00 0.00 C ATOM 693 CE LYS A 41 75.713 9.811 -10.899 1.00 0.00 C ATOM 694 NZ LYS A 41 74.429 10.567 -10.857 1.00 0.00 N ATOM 0 H LYS A 41 76.688 9.208 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 41 78.737 8.513 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.997 10.580 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.318 9.442 -9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.656 8.153 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 41 77.373 7.656 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 41 75.196 8.285 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 41 75.762 9.780 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.542 10.492 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 41 75.696 9.090 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 74.285 11.057 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 73.643 9.907 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 74.462 11.265 -10.087 1.00 0.00 H new ATOM 708 N GLU A 42 79.464 11.118 -5.900 1.00 0.00 N ATOM 709 CA GLU A 42 80.517 12.063 -5.407 1.00 0.00 C ATOM 710 C GLU A 42 81.352 11.367 -4.326 1.00 0.00 C ATOM 711 O GLU A 42 80.940 10.381 -3.757 1.00 0.00 O ATOM 712 CB GLU A 42 79.828 13.319 -4.821 1.00 0.00 C ATOM 713 CG GLU A 42 80.334 14.587 -5.518 1.00 0.00 C ATOM 714 CD GLU A 42 79.899 14.573 -6.985 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.774 14.179 -7.245 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.698 14.957 -7.823 1.00 0.00 O ATOM 0 H GLU A 42 78.650 11.027 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 42 81.172 12.360 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.748 13.238 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.025 13.383 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.938 15.471 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.420 14.643 -5.451 1.00 0.00 H new ATOM 723 N VAL A 43 82.512 11.889 -4.034 1.00 0.00 N ATOM 724 CA VAL A 43 83.374 11.273 -2.980 1.00 0.00 C ATOM 725 C VAL A 43 82.925 11.786 -1.612 1.00 0.00 C ATOM 726 O VAL A 43 82.879 12.976 -1.371 1.00 0.00 O ATOM 727 CB VAL A 43 84.840 11.657 -3.227 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.694 11.253 -2.022 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.354 10.932 -4.472 1.00 0.00 C ATOM 0 H VAL A 43 82.903 12.719 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 43 83.282 10.187 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 43 84.907 12.735 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.733 11.528 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.333 11.767 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.625 10.176 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.395 11.204 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.281 9.855 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.753 11.220 -5.335 1.00 0.00 H new ATOM 739 N ILE A 44 82.583 10.896 -0.716 1.00 0.00 N ATOM 740 CA ILE A 44 82.124 11.325 0.636 1.00 0.00 C ATOM 741 C ILE A 44 83.284 11.256 1.631 1.00 0.00 C ATOM 742 O ILE A 44 83.339 12.015 2.578 1.00 0.00 O ATOM 743 CB ILE A 44 80.997 10.403 1.103 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.959 10.246 -0.017 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.330 11.007 2.339 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.525 11.622 -0.535 1.00 0.00 C ATOM 0 H ILE A 44 82.603 9.887 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 44 81.763 12.352 0.582 1.00 0.00 H new ATOM 0 HB ILE A 44 81.407 9.424 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.380 9.659 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.092 9.700 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.526 10.352 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.067 11.114 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.921 11.986 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.789 11.496 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.085 12.196 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.393 12.154 -0.926 1.00 0.00 H new ATOM 758 N GLN A 45 84.211 10.356 1.435 1.00 0.00 N ATOM 759 CA GLN A 45 85.353 10.261 2.391 1.00 0.00 C ATOM 760 C GLN A 45 86.415 9.296 1.860 1.00 0.00 C ATOM 761 O GLN A 45 86.184 8.538 0.943 1.00 0.00 O ATOM 762 CB GLN A 45 84.854 9.763 3.753 1.00 0.00 C ATOM 763 CG GLN A 45 86.031 9.658 4.731 1.00 0.00 C ATOM 764 CD GLN A 45 85.509 9.637 6.169 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.419 9.166 6.427 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.248 10.134 7.122 1.00 0.00 N ATOM 0 H GLN A 45 84.228 9.689 0.663 1.00 0.00 H new ATOM 0 HA GLN A 45 85.794 11.252 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.102 10.446 4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.374 8.791 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.604 8.753 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.708 10.501 4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.163 10.529 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.911 10.127 8.085 1.00 0.00 H new ATOM 775 N GLU A 46 87.581 9.333 2.445 1.00 0.00 N ATOM 776 CA GLU A 46 88.701 8.439 2.021 1.00 0.00 C ATOM 777 C GLU A 46 89.332 7.789 3.258 1.00 0.00 C ATOM 778 O GLU A 46 89.180 8.263 4.366 1.00 0.00 O ATOM 779 CB GLU A 46 89.757 9.264 1.271 1.00 0.00 C ATOM 780 CG GLU A 46 89.323 9.459 -0.183 1.00 0.00 C ATOM 781 CD GLU A 46 90.212 10.514 -0.843 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.406 10.494 -0.596 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.683 11.326 -1.585 1.00 0.00 O ATOM 0 H GLU A 46 87.811 9.959 3.217 1.00 0.00 H new ATOM 0 HA GLU A 46 88.318 7.660 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.887 10.232 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.721 8.757 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.396 8.516 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.279 9.770 -0.224 1.00 0.00 H new ATOM 790 N TRP A 47 90.036 6.697 3.073 1.00 0.00 N ATOM 791 CA TRP A 47 90.680 5.998 4.229 1.00 0.00 C ATOM 792 C TRP A 47 92.078 5.523 3.834 1.00 0.00 C ATOM 793 O TRP A 47 92.297 5.066 2.734 1.00 0.00 O ATOM 794 CB TRP A 47 89.847 4.781 4.616 1.00 0.00 C ATOM 795 CG TRP A 47 88.510 5.218 5.125 1.00 0.00 C ATOM 796 CD1 TRP A 47 87.447 5.536 4.350 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.074 5.388 6.505 1.00 0.00 C ATOM 798 NE1 TRP A 47 86.388 5.888 5.166 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.725 5.813 6.501 1.00 0.00 C ATOM 800 CE3 TRP A 47 88.710 5.216 7.747 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.031 6.059 7.683 1.00 0.00 C ATOM 802 CZ3 TRP A 47 88.014 5.463 8.943 1.00 0.00 C ATOM 803 CH2 TRP A 47 86.676 5.883 8.910 1.00 0.00 C ATOM 0 H TRP A 47 90.192 6.258 2.166 1.00 0.00 H new ATOM 0 HA TRP A 47 90.747 6.691 5.068 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.721 4.127 3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.366 4.203 5.381 1.00 0.00 H new ATOM 0 HD1 TRP A 47 87.429 5.518 3.270 1.00 0.00 H new ATOM 0 HE1 TRP A 47 85.470 6.169 4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 47 89.740 4.892 7.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.001 6.384 7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 88.512 5.329 9.892 1.00 0.00 H new ATOM 0 HH2 TRP A 47 86.145 6.070 9.832 1.00 0.00 H new ATOM 814 N SER A 48 93.021 5.608 4.726 1.00 0.00 N ATOM 815 CA SER A 48 94.399 5.150 4.392 1.00 0.00 C ATOM 816 C SER A 48 94.429 3.620 4.310 1.00 0.00 C ATOM 817 O SER A 48 93.896 2.933 5.157 1.00 0.00 O ATOM 818 CB SER A 48 95.377 5.637 5.464 1.00 0.00 C ATOM 819 OG SER A 48 96.668 5.785 4.887 1.00 0.00 O ATOM 0 H SER A 48 92.900 5.974 5.671 1.00 0.00 H new ATOM 0 HA SER A 48 94.694 5.563 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.039 6.588 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 48 95.414 4.926 6.289 1.00 0.00 H new ATOM 0 HG SER A 48 97.291 5.162 5.316 1.00 0.00 H new ATOM 825 N LEU A 49 95.053 3.083 3.300 1.00 0.00 N ATOM 826 CA LEU A 49 95.119 1.603 3.173 1.00 0.00 C ATOM 827 C LEU A 49 95.881 1.047 4.383 1.00 0.00 C ATOM 828 O LEU A 49 95.761 -0.111 4.729 1.00 0.00 O ATOM 829 CB LEU A 49 95.846 1.244 1.852 1.00 0.00 C ATOM 830 CG LEU A 49 94.840 0.716 0.811 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.424 0.856 -0.596 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.537 -0.761 1.092 1.00 0.00 C ATOM 0 H LEU A 49 95.519 3.605 2.558 1.00 0.00 H new ATOM 0 HA LEU A 49 94.120 1.168 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.357 2.124 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.610 0.491 2.043 1.00 0.00 H new ATOM 0 HG LEU A 49 93.920 1.297 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.707 0.481 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.634 1.906 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.348 0.281 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.825 -1.133 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.459 -1.340 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.111 -0.862 2.090 1.00 0.00 H new ATOM 844 N THR A 50 96.659 1.873 5.028 1.00 0.00 N ATOM 845 CA THR A 50 97.426 1.408 6.215 1.00 0.00 C ATOM 846 C THR A 50 96.526 1.454 7.451 1.00 0.00 C ATOM 847 O THR A 50 96.872 0.951 8.502 1.00 0.00 O ATOM 848 CB THR A 50 98.634 2.323 6.431 1.00 0.00 C ATOM 849 OG1 THR A 50 98.191 3.670 6.532 1.00 0.00 O ATOM 850 CG2 THR A 50 99.597 2.188 5.251 1.00 0.00 C ATOM 0 H THR A 50 96.796 2.853 4.782 1.00 0.00 H new ATOM 0 HA THR A 50 97.768 0.386 6.051 1.00 0.00 H new ATOM 0 HB THR A 50 99.148 2.038 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 50 98.962 4.258 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.456 2.840 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 50 99.935 1.155 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.087 2.473 4.331 1.00 0.00 H new ATOM 858 N ASN A 51 95.372 2.054 7.333 1.00 0.00 N ATOM 859 CA ASN A 51 94.448 2.133 8.503 1.00 0.00 C ATOM 860 C ASN A 51 93.635 0.841 8.600 1.00 0.00 C ATOM 861 O ASN A 51 93.139 0.488 9.651 1.00 0.00 O ATOM 862 CB ASN A 51 93.493 3.322 8.333 1.00 0.00 C ATOM 863 CG ASN A 51 94.236 4.635 8.596 1.00 0.00 C ATOM 864 OD1 ASN A 51 93.958 5.637 7.967 1.00 0.00 O ATOM 865 ND2 ASN A 51 95.166 4.680 9.511 1.00 0.00 N ATOM 0 H ASN A 51 95.029 2.493 6.478 1.00 0.00 H new ATOM 0 HA ASN A 51 95.033 2.267 9.413 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.079 3.325 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.654 3.226 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.657 5.555 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 51 95.401 3.841 10.041 1.00 0.00 H new ATOM 872 N ILE A 52 93.492 0.132 7.513 1.00 0.00 N ATOM 873 CA ILE A 52 92.707 -1.134 7.554 1.00 0.00 C ATOM 874 C ILE A 52 93.431 -2.157 8.433 1.00 0.00 C ATOM 875 O ILE A 52 94.530 -2.581 8.133 1.00 0.00 O ATOM 876 CB ILE A 52 92.553 -1.689 6.136 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.707 -0.714 5.304 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.859 -3.054 6.199 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.673 -1.160 3.837 1.00 0.00 C ATOM 0 H ILE A 52 93.883 0.374 6.602 1.00 0.00 H new ATOM 0 HA ILE A 52 91.720 -0.935 7.971 1.00 0.00 H new ATOM 0 HB ILE A 52 93.533 -1.805 5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.693 -0.670 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.122 0.292 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.748 -3.452 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.460 -3.740 6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.876 -2.941 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.070 -0.461 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.688 -1.180 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.237 -2.157 3.770 1.00 0.00 H new ATOM 891 N LYS A 53 92.824 -2.555 9.519 1.00 0.00 N ATOM 892 CA LYS A 53 93.474 -3.549 10.421 1.00 0.00 C ATOM 893 C LYS A 53 93.189 -4.965 9.912 1.00 0.00 C ATOM 894 O LYS A 53 94.084 -5.776 9.777 1.00 0.00 O ATOM 895 CB LYS A 53 92.918 -3.388 11.838 1.00 0.00 C ATOM 896 CG LYS A 53 93.581 -4.406 12.766 1.00 0.00 C ATOM 897 CD LYS A 53 93.159 -4.129 14.210 1.00 0.00 C ATOM 898 CE LYS A 53 93.572 -5.307 15.095 1.00 0.00 C ATOM 899 NZ LYS A 53 93.171 -5.035 16.504 1.00 0.00 N ATOM 0 H LYS A 53 91.904 -2.234 9.821 1.00 0.00 H new ATOM 0 HA LYS A 53 94.551 -3.382 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.103 -2.376 12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 53 91.838 -3.533 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.293 -5.417 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.665 -4.345 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.625 -3.211 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.080 -3.980 14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.100 -6.224 14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.650 -5.460 15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.452 -5.836 17.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 93.641 -4.170 16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.140 -4.910 16.553 1.00 0.00 H new ATOM 913 N ARG A 54 91.951 -5.270 9.621 1.00 0.00 N ATOM 914 CA ARG A 54 91.615 -6.634 9.113 1.00 0.00 C ATOM 915 C ARG A 54 90.366 -6.555 8.235 1.00 0.00 C ATOM 916 O ARG A 54 89.752 -5.515 8.099 1.00 0.00 O ATOM 917 CB ARG A 54 91.361 -7.589 10.305 1.00 0.00 C ATOM 918 CG ARG A 54 89.889 -7.511 10.771 1.00 0.00 C ATOM 919 CD ARG A 54 89.711 -8.202 12.133 1.00 0.00 C ATOM 920 NE ARG A 54 89.856 -7.190 13.218 1.00 0.00 N ATOM 921 CZ ARG A 54 89.485 -7.480 14.435 1.00 0.00 C ATOM 922 NH1 ARG A 54 89.004 -8.662 14.705 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.597 -6.589 15.381 1.00 0.00 N ATOM 0 H ARG A 54 91.159 -4.634 9.713 1.00 0.00 H new ATOM 0 HA ARG A 54 92.448 -7.017 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.601 -8.612 10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.022 -7.329 11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 54 89.581 -6.468 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.243 -7.983 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.731 -8.675 12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.453 -8.991 12.254 1.00 0.00 H new ATOM 0 HE ARG A 54 90.245 -6.271 13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.918 -9.359 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.714 -8.889 15.656 1.00 0.00 H new ATOM 0 HH21 ARG A 54 89.975 -5.665 15.170 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.307 -6.816 16.332 1.00 0.00 H new ATOM 937 N TRP A 55 89.970 -7.659 7.669 1.00 0.00 N ATOM 938 CA TRP A 55 88.739 -7.663 6.834 1.00 0.00 C ATOM 939 C TRP A 55 88.195 -9.080 6.733 1.00 0.00 C ATOM 940 O TRP A 55 88.832 -10.029 7.126 1.00 0.00 O ATOM 941 CB TRP A 55 89.038 -7.119 5.432 1.00 0.00 C ATOM 942 CG TRP A 55 90.059 -7.973 4.754 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.830 -9.211 4.260 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.454 -7.671 4.470 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.001 -9.693 3.702 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.029 -8.778 3.803 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.271 -6.555 4.726 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.365 -8.779 3.403 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.616 -6.553 4.324 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.160 -7.664 3.664 1.00 0.00 C ATOM 0 H TRP A 55 90.445 -8.558 7.748 1.00 0.00 H new ATOM 0 HA TRP A 55 87.994 -7.020 7.304 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.123 -7.095 4.841 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.400 -6.093 5.502 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.888 -9.737 4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.093 -10.612 3.269 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.861 -5.695 5.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.780 -9.637 2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.235 -5.691 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.196 -7.656 3.358 1.00 0.00 H new ATOM 961 N ALA A 56 87.014 -9.227 6.212 1.00 0.00 N ATOM 962 CA ALA A 56 86.416 -10.585 6.070 1.00 0.00 C ATOM 963 C ALA A 56 85.517 -10.584 4.836 1.00 0.00 C ATOM 964 O ALA A 56 84.554 -9.847 4.765 1.00 0.00 O ATOM 965 CB ALA A 56 85.599 -10.923 7.317 1.00 0.00 C ATOM 0 H ALA A 56 86.430 -8.461 5.875 1.00 0.00 H new ATOM 0 HA ALA A 56 87.200 -11.334 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.164 -11.916 7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.247 -10.904 8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.802 -10.189 7.440 1.00 0.00 H new ATOM 971 N ALA A 57 85.828 -11.386 3.853 1.00 0.00 N ATOM 972 CA ALA A 57 84.999 -11.411 2.610 1.00 0.00 C ATOM 973 C ALA A 57 84.026 -12.588 2.644 1.00 0.00 C ATOM 974 O ALA A 57 84.421 -13.726 2.802 1.00 0.00 O ATOM 975 CB ALA A 57 85.923 -11.554 1.398 1.00 0.00 C ATOM 0 H ALA A 57 86.622 -12.027 3.856 1.00 0.00 H new ATOM 0 HA ALA A 57 84.429 -10.485 2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.326 -11.573 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.611 -10.710 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.490 -12.481 1.480 1.00 0.00 H new ATOM 981 N SER A 58 82.754 -12.314 2.478 1.00 0.00 N ATOM 982 CA SER A 58 81.726 -13.395 2.475 1.00 0.00 C ATOM 983 C SER A 58 81.022 -13.370 1.105 1.00 0.00 C ATOM 984 O SER A 58 80.984 -12.335 0.470 1.00 0.00 O ATOM 985 CB SER A 58 80.710 -13.120 3.589 1.00 0.00 C ATOM 986 OG SER A 58 81.213 -13.631 4.817 1.00 0.00 O ATOM 0 H SER A 58 82.383 -11.374 2.343 1.00 0.00 H new ATOM 0 HA SER A 58 82.182 -14.370 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.527 -12.049 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.755 -13.588 3.350 1.00 0.00 H new ATOM 0 HG SER A 58 80.567 -13.456 5.533 1.00 0.00 H new ATOM 992 N PRO A 59 80.480 -14.490 0.675 1.00 0.00 N ATOM 993 CA PRO A 59 79.782 -14.555 -0.628 1.00 0.00 C ATOM 994 C PRO A 59 78.579 -13.591 -0.659 1.00 0.00 C ATOM 995 O PRO A 59 77.704 -13.724 -1.492 1.00 0.00 O ATOM 996 CB PRO A 59 79.313 -16.026 -0.744 1.00 0.00 C ATOM 997 CG PRO A 59 79.570 -16.697 0.632 1.00 0.00 C ATOM 998 CD PRO A 59 80.512 -15.770 1.419 1.00 0.00 C ATOM 0 HA PRO A 59 80.426 -14.259 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.256 -16.074 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.859 -16.543 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.634 -16.842 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.019 -17.682 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.173 -15.640 2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.522 -16.177 1.465 1.00 0.00 H new ATOM 1006 N LYS A 60 78.510 -12.637 0.239 1.00 0.00 N ATOM 1007 CA LYS A 60 77.343 -11.702 0.240 1.00 0.00 C ATOM 1008 C LYS A 60 77.767 -10.301 0.681 1.00 0.00 C ATOM 1009 O LYS A 60 77.241 -9.312 0.209 1.00 0.00 O ATOM 1010 CB LYS A 60 76.303 -12.230 1.226 1.00 0.00 C ATOM 1011 CG LYS A 60 76.864 -12.161 2.654 1.00 0.00 C ATOM 1012 CD LYS A 60 76.149 -13.176 3.544 1.00 0.00 C ATOM 1013 CE LYS A 60 76.483 -12.896 5.011 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.900 -13.967 5.866 1.00 0.00 N ATOM 0 H LYS A 60 79.206 -12.467 0.965 1.00 0.00 H new ATOM 0 HA LYS A 60 76.936 -11.643 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.388 -11.641 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 60 76.040 -13.258 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.935 -12.364 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.734 -11.156 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.072 -13.117 3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 60 76.455 -14.188 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 77.564 -12.855 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.087 -11.924 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 76.127 -13.777 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 74.867 -13.986 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 76.298 -14.887 5.590 1.00 0.00 H new ATOM 1028 N SER A 61 78.684 -10.202 1.608 1.00 0.00 N ATOM 1029 CA SER A 61 79.104 -8.851 2.105 1.00 0.00 C ATOM 1030 C SER A 61 80.611 -8.795 2.367 1.00 0.00 C ATOM 1031 O SER A 61 81.277 -9.801 2.506 1.00 0.00 O ATOM 1032 CB SER A 61 78.370 -8.562 3.414 1.00 0.00 C ATOM 1033 OG SER A 61 79.034 -7.511 4.103 1.00 0.00 O ATOM 0 H SER A 61 79.160 -10.992 2.043 1.00 0.00 H new ATOM 0 HA SER A 61 78.859 -8.112 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.336 -8.283 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.342 -9.458 4.034 1.00 0.00 H new ATOM 0 HG SER A 61 78.768 -6.649 3.720 1.00 0.00 H new ATOM 1039 N PHE A 62 81.135 -7.597 2.454 1.00 0.00 N ATOM 1040 CA PHE A 62 82.593 -7.391 2.729 1.00 0.00 C ATOM 1041 C PHE A 62 82.724 -6.600 4.030 1.00 0.00 C ATOM 1042 O PHE A 62 81.951 -5.700 4.287 1.00 0.00 O ATOM 1043 CB PHE A 62 83.226 -6.587 1.591 1.00 0.00 C ATOM 1044 CG PHE A 62 84.699 -6.383 1.876 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.570 -7.478 1.861 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.194 -5.101 2.154 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.933 -7.294 2.125 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.557 -4.918 2.417 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.426 -6.015 2.402 1.00 0.00 C ATOM 0 H PHE A 62 80.602 -6.734 2.344 1.00 0.00 H new ATOM 0 HA PHE A 62 83.097 -8.354 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.097 -7.112 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.727 -5.623 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.191 -8.466 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.524 -4.254 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.604 -8.140 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.938 -3.930 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.477 -5.874 2.604 1.00 0.00 H new ATOM 1059 N THR A 63 83.686 -6.927 4.858 1.00 0.00 N ATOM 1060 CA THR A 63 83.858 -6.192 6.155 1.00 0.00 C ATOM 1061 C THR A 63 85.304 -5.727 6.284 1.00 0.00 C ATOM 1062 O THR A 63 86.220 -6.445 5.955 1.00 0.00 O ATOM 1063 CB THR A 63 83.516 -7.139 7.315 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.116 -7.383 7.323 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.932 -6.513 8.652 1.00 0.00 C ATOM 0 H THR A 63 84.362 -7.673 4.693 1.00 0.00 H new ATOM 0 HA THR A 63 83.197 -5.326 6.181 1.00 0.00 H new ATOM 0 HB THR A 63 84.056 -8.076 7.181 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.894 -7.988 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.684 -7.195 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.006 -6.328 8.648 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.402 -5.571 8.793 1.00 0.00 H new ATOM 1073 N LEU A 64 85.514 -4.532 6.779 1.00 0.00 N ATOM 1074 CA LEU A 64 86.909 -4.016 6.958 1.00 0.00 C ATOM 1075 C LEU A 64 87.003 -3.295 8.297 1.00 0.00 C ATOM 1076 O LEU A 64 86.046 -2.717 8.773 1.00 0.00 O ATOM 1077 CB LEU A 64 87.296 -3.071 5.814 1.00 0.00 C ATOM 1078 CG LEU A 64 86.243 -1.945 5.638 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.682 -0.677 6.385 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.085 -1.605 4.147 1.00 0.00 C ATOM 0 H LEU A 64 84.777 -3.889 7.068 1.00 0.00 H new ATOM 0 HA LEU A 64 87.604 -4.855 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.273 -2.631 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.387 -3.636 4.886 1.00 0.00 H new ATOM 0 HG LEU A 64 85.295 -2.298 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.932 0.102 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 64 86.789 -0.899 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.637 -0.333 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.344 -0.814 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.041 -1.268 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.757 -2.492 3.604 1.00 0.00 H new ATOM 1092 N ASP A 65 88.151 -3.355 8.918 1.00 0.00 N ATOM 1093 CA ASP A 65 88.340 -2.706 10.256 1.00 0.00 C ATOM 1094 C ASP A 65 89.401 -1.613 10.167 1.00 0.00 C ATOM 1095 O ASP A 65 90.519 -1.851 9.759 1.00 0.00 O ATOM 1096 CB ASP A 65 88.806 -3.763 11.259 1.00 0.00 C ATOM 1097 CG ASP A 65 88.921 -3.131 12.647 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.298 -2.104 12.863 1.00 0.00 O ATOM 1099 OD2 ASP A 65 89.630 -3.685 13.472 1.00 0.00 O ATOM 0 H ASP A 65 88.977 -3.830 8.554 1.00 0.00 H new ATOM 0 HA ASP A 65 87.395 -2.265 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.100 -4.594 11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 65 89.769 -4.172 10.952 1.00 0.00 H new ATOM 1104 N PHE A 66 89.065 -0.417 10.569 1.00 0.00 N ATOM 1105 CA PHE A 66 90.059 0.693 10.534 1.00 0.00 C ATOM 1106 C PHE A 66 90.783 0.733 11.875 1.00 0.00 C ATOM 1107 O PHE A 66 91.652 1.551 12.104 1.00 0.00 O ATOM 1108 CB PHE A 66 89.338 2.026 10.318 1.00 0.00 C ATOM 1109 CG PHE A 66 88.742 2.076 8.925 1.00 0.00 C ATOM 1110 CD1 PHE A 66 89.576 2.019 7.800 1.00 0.00 C ATOM 1111 CD2 PHE A 66 87.352 2.179 8.759 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.023 2.067 6.514 1.00 0.00 C ATOM 1113 CE2 PHE A 66 86.802 2.227 7.473 1.00 0.00 C ATOM 1114 CZ PHE A 66 87.637 2.171 6.351 1.00 0.00 C ATOM 0 H PHE A 66 88.143 -0.161 10.921 1.00 0.00 H new ATOM 0 HA PHE A 66 90.766 0.531 9.721 1.00 0.00 H new ATOM 0 HB2 PHE A 66 88.552 2.148 11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.036 2.852 10.453 1.00 0.00 H new ATOM 0 HD1 PHE A 66 90.646 1.938 7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 66 86.707 2.221 9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 66 89.667 2.024 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 66 85.732 2.307 7.346 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.211 2.208 5.359 1.00 0.00 H new ATOM 1124 N GLY A 67 90.420 -0.144 12.769 1.00 0.00 N ATOM 1125 CA GLY A 67 91.070 -0.165 14.108 1.00 0.00 C ATOM 1126 C GLY A 67 90.377 0.852 15.015 1.00 0.00 C ATOM 1127 O GLY A 67 90.668 0.950 16.191 1.00 0.00 O ATOM 0 H GLY A 67 89.698 -0.850 12.629 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.005 -1.163 14.542 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.130 0.074 14.016 1.00 0.00 H new ATOM 1131 N ASP A 68 89.461 1.613 14.476 1.00 0.00 N ATOM 1132 CA ASP A 68 88.750 2.626 15.305 1.00 0.00 C ATOM 1133 C ASP A 68 87.627 1.947 16.097 1.00 0.00 C ATOM 1134 O ASP A 68 86.468 2.019 15.740 1.00 0.00 O ATOM 1135 CB ASP A 68 88.168 3.712 14.394 1.00 0.00 C ATOM 1136 CG ASP A 68 89.129 3.974 13.233 1.00 0.00 C ATOM 1137 OD1 ASP A 68 90.324 3.842 13.439 1.00 0.00 O ATOM 1138 OD2 ASP A 68 88.654 4.302 12.159 1.00 0.00 O ATOM 0 H ASP A 68 89.176 1.576 13.497 1.00 0.00 H new ATOM 0 HA ASP A 68 89.450 3.083 16.004 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.196 3.399 14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 68 88.007 4.629 14.961 1.00 0.00 H new ATOM 1143 N TYR A 69 87.962 1.291 17.175 1.00 0.00 N ATOM 1144 CA TYR A 69 86.920 0.614 17.996 1.00 0.00 C ATOM 1145 C TYR A 69 85.745 1.570 18.213 1.00 0.00 C ATOM 1146 O TYR A 69 84.597 1.174 18.234 1.00 0.00 O ATOM 1147 CB TYR A 69 87.523 0.228 19.347 1.00 0.00 C ATOM 1148 CG TYR A 69 86.438 -0.300 20.253 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.010 -1.624 20.128 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.862 0.537 21.215 1.00 0.00 C ATOM 1151 CE1 TYR A 69 85.003 -2.116 20.967 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.855 0.047 22.055 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.425 -1.281 21.931 1.00 0.00 C ATOM 1154 OH TYR A 69 83.433 -1.765 22.759 1.00 0.00 O ATOM 0 H TYR A 69 88.916 1.195 17.523 1.00 0.00 H new ATOM 0 HA TYR A 69 86.567 -0.281 17.483 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.296 -0.528 19.209 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.003 1.094 19.803 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.456 -2.268 19.384 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.194 1.560 21.309 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.672 -3.140 20.871 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.410 0.692 22.798 1.00 0.00 H new ATOM 0 HH TYR A 69 83.142 -1.056 23.370 1.00 0.00 H new ATOM 1164 N GLN A 70 86.034 2.828 18.374 1.00 0.00 N ATOM 1165 CA GLN A 70 84.952 3.828 18.592 1.00 0.00 C ATOM 1166 C GLN A 70 83.980 3.797 17.406 1.00 0.00 C ATOM 1167 O GLN A 70 82.801 3.547 17.565 1.00 0.00 O ATOM 1168 CB GLN A 70 85.572 5.238 18.727 1.00 0.00 C ATOM 1169 CG GLN A 70 86.909 5.309 17.971 1.00 0.00 C ATOM 1170 CD GLN A 70 88.051 4.777 18.849 1.00 0.00 C ATOM 1171 OE1 GLN A 70 87.903 4.636 20.046 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.193 4.472 18.295 1.00 0.00 N ATOM 0 H GLN A 70 86.979 3.211 18.364 1.00 0.00 H new ATOM 0 HA GLN A 70 84.410 3.586 19.506 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.883 5.985 18.332 1.00 0.00 H new ATOM 0 HB3 GLN A 70 85.729 5.474 19.779 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.846 4.725 17.053 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.115 6.339 17.680 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.320 4.590 17.290 1.00 0.00 H new ATOM 0 HE22 GLN A 70 89.959 4.116 18.867 1.00 0.00 H new ATOM 1181 N ASP A 71 84.462 4.056 16.222 1.00 0.00 N ATOM 1182 CA ASP A 71 83.565 4.049 15.037 1.00 0.00 C ATOM 1183 C ASP A 71 82.998 2.646 14.837 1.00 0.00 C ATOM 1184 O ASP A 71 81.876 2.472 14.405 1.00 0.00 O ATOM 1185 CB ASP A 71 84.364 4.465 13.803 1.00 0.00 C ATOM 1186 CG ASP A 71 83.408 4.888 12.685 1.00 0.00 C ATOM 1187 OD1 ASP A 71 82.753 5.905 12.846 1.00 0.00 O ATOM 1188 OD2 ASP A 71 83.346 4.187 11.688 1.00 0.00 O ATOM 0 H ASP A 71 85.439 4.272 16.026 1.00 0.00 H new ATOM 0 HA ASP A 71 82.743 4.748 15.191 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.033 5.288 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 71 84.988 3.637 13.466 1.00 0.00 H new ATOM 1193 N GLY A 72 83.769 1.643 15.152 1.00 0.00 N ATOM 1194 CA GLY A 72 83.289 0.239 14.987 1.00 0.00 C ATOM 1195 C GLY A 72 83.720 -0.295 13.621 1.00 0.00 C ATOM 1196 O GLY A 72 84.417 0.365 12.876 1.00 0.00 O ATOM 0 H GLY A 72 84.716 1.734 15.519 1.00 0.00 H new ATOM 0 HA2 GLY A 72 83.695 -0.390 15.779 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.203 0.203 15.077 1.00 0.00 H new ATOM 1200 N TYR A 73 83.315 -1.489 13.290 1.00 0.00 N ATOM 1201 CA TYR A 73 83.705 -2.071 11.976 1.00 0.00 C ATOM 1202 C TYR A 73 82.887 -1.427 10.856 1.00 0.00 C ATOM 1203 O TYR A 73 81.955 -0.685 11.095 1.00 0.00 O ATOM 1204 CB TYR A 73 83.445 -3.579 11.985 1.00 0.00 C ATOM 1205 CG TYR A 73 84.239 -4.223 13.098 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.635 -4.202 13.055 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.581 -4.840 14.169 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.379 -4.797 14.081 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.322 -5.436 15.196 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.722 -5.414 15.152 1.00 0.00 C ATOM 1211 OH TYR A 73 86.453 -6.002 16.165 1.00 0.00 O ATOM 0 H TYR A 73 82.730 -2.088 13.873 1.00 0.00 H new ATOM 0 HA TYR A 73 84.765 -1.881 11.805 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.382 -3.774 12.123 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.727 -4.013 11.025 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.142 -3.726 12.229 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.502 -4.856 14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.458 -4.780 14.046 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.815 -5.913 16.022 1.00 0.00 H new ATOM 0 HH TYR A 73 85.843 -6.383 16.830 1.00 0.00 H new ATOM 1221 N TYR A 74 83.235 -1.721 9.630 1.00 0.00 N ATOM 1222 CA TYR A 74 82.504 -1.159 8.460 1.00 0.00 C ATOM 1223 C TYR A 74 82.190 -2.301 7.498 1.00 0.00 C ATOM 1224 O TYR A 74 83.067 -2.834 6.848 1.00 0.00 O ATOM 1225 CB TYR A 74 83.398 -0.142 7.758 1.00 0.00 C ATOM 1226 CG TYR A 74 82.670 0.472 6.584 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.815 1.563 6.780 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.859 -0.046 5.297 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.148 2.134 5.690 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.192 0.525 4.207 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.336 1.615 4.403 1.00 0.00 C ATOM 1232 OH TYR A 74 80.677 2.178 3.329 1.00 0.00 O ATOM 0 H TYR A 74 84.010 -2.339 9.388 1.00 0.00 H new ATOM 0 HA TYR A 74 81.583 -0.674 8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.694 0.638 8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.312 -0.626 7.415 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.670 1.964 7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.520 -0.887 5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.488 2.975 5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.338 0.125 3.215 1.00 0.00 H new ATOM 0 HH TYR A 74 79.716 2.006 3.408 1.00 0.00 H new ATOM 1242 N SER A 75 80.947 -2.689 7.418 1.00 0.00 N ATOM 1243 CA SER A 75 80.548 -3.812 6.516 1.00 0.00 C ATOM 1244 C SER A 75 79.379 -3.394 5.629 1.00 0.00 C ATOM 1245 O SER A 75 78.504 -2.652 6.030 1.00 0.00 O ATOM 1246 CB SER A 75 80.134 -5.011 7.366 1.00 0.00 C ATOM 1247 OG SER A 75 78.928 -4.704 8.054 1.00 0.00 O ATOM 0 H SER A 75 80.180 -2.272 7.945 1.00 0.00 H new ATOM 0 HA SER A 75 81.394 -4.076 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.993 -5.888 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 75 80.921 -5.255 8.079 1.00 0.00 H new ATOM 0 HG SER A 75 78.658 -5.472 8.600 1.00 0.00 H new ATOM 1253 N VAL A 76 79.366 -3.882 4.419 1.00 0.00 N ATOM 1254 CA VAL A 76 78.268 -3.545 3.466 1.00 0.00 C ATOM 1255 C VAL A 76 78.017 -4.757 2.569 1.00 0.00 C ATOM 1256 O VAL A 76 78.759 -5.718 2.595 1.00 0.00 O ATOM 1257 CB VAL A 76 78.684 -2.349 2.604 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.901 -1.122 3.491 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.987 -2.680 1.874 1.00 0.00 C ATOM 0 H VAL A 76 80.079 -4.508 4.044 1.00 0.00 H new ATOM 0 HA VAL A 76 77.362 -3.289 4.015 1.00 0.00 H new ATOM 0 HB VAL A 76 77.898 -2.137 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.197 -0.274 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.976 -0.884 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.686 -1.333 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.286 -1.831 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.769 -2.893 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.836 -3.553 1.238 1.00 0.00 H new ATOM 1269 N GLN A 77 76.980 -4.733 1.781 1.00 0.00 N ATOM 1270 CA GLN A 77 76.698 -5.897 0.899 1.00 0.00 C ATOM 1271 C GLN A 77 77.629 -5.855 -0.316 1.00 0.00 C ATOM 1272 O GLN A 77 77.866 -4.814 -0.895 1.00 0.00 O ATOM 1273 CB GLN A 77 75.232 -5.831 0.440 1.00 0.00 C ATOM 1274 CG GLN A 77 74.336 -6.594 1.421 1.00 0.00 C ATOM 1275 CD GLN A 77 74.474 -8.099 1.179 1.00 0.00 C ATOM 1276 OE1 GLN A 77 74.477 -8.547 0.050 1.00 0.00 O ATOM 1277 NE2 GLN A 77 74.590 -8.903 2.200 1.00 0.00 N ATOM 0 H GLN A 77 76.318 -3.960 1.710 1.00 0.00 H new ATOM 0 HA GLN A 77 76.868 -6.826 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.910 -4.792 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 77 75.136 -6.257 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.615 -6.353 2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.297 -6.289 1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 77 74.588 -8.527 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.683 -9.908 2.050 1.00 0.00 H new ATOM 1286 N THR A 78 78.151 -6.990 -0.707 1.00 0.00 N ATOM 1287 CA THR A 78 79.063 -7.039 -1.883 1.00 0.00 C ATOM 1288 C THR A 78 78.951 -8.403 -2.553 1.00 0.00 C ATOM 1289 O THR A 78 79.351 -9.411 -2.006 1.00 0.00 O ATOM 1290 CB THR A 78 80.510 -6.838 -1.435 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.896 -7.919 -0.598 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.640 -5.525 -0.666 1.00 0.00 C ATOM 0 H THR A 78 77.981 -7.889 -0.257 1.00 0.00 H new ATOM 0 HA THR A 78 78.781 -6.249 -2.579 1.00 0.00 H new ATOM 0 HB THR A 78 81.157 -6.802 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.305 -8.684 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.674 -5.389 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.345 -4.696 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.993 -5.551 0.211 1.00 0.00 H new ATOM 1300 N THR A 79 78.423 -8.440 -3.736 1.00 0.00 N ATOM 1301 CA THR A 79 78.298 -9.737 -4.450 1.00 0.00 C ATOM 1302 C THR A 79 79.698 -10.272 -4.739 1.00 0.00 C ATOM 1303 O THR A 79 79.891 -11.447 -4.978 1.00 0.00 O ATOM 1304 CB THR A 79 77.563 -9.518 -5.770 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.263 -9.007 -5.510 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.455 -10.844 -6.523 1.00 0.00 C ATOM 0 H THR A 79 78.071 -7.628 -4.243 1.00 0.00 H new ATOM 0 HA THR A 79 77.743 -10.448 -3.838 1.00 0.00 H new ATOM 0 HB THR A 79 78.116 -8.803 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.792 -8.865 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.930 -10.686 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.454 -11.230 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.904 -11.563 -5.917 1.00 0.00 H new ATOM 1314 N GLU A 80 80.675 -9.402 -4.719 1.00 0.00 N ATOM 1315 CA GLU A 80 82.085 -9.816 -4.991 1.00 0.00 C ATOM 1316 C GLU A 80 82.983 -9.359 -3.844 1.00 0.00 C ATOM 1317 O GLU A 80 84.113 -8.961 -4.046 1.00 0.00 O ATOM 1318 CB GLU A 80 82.561 -9.167 -6.291 1.00 0.00 C ATOM 1319 CG GLU A 80 81.502 -9.360 -7.377 1.00 0.00 C ATOM 1320 CD GLU A 80 82.090 -8.994 -8.740 1.00 0.00 C ATOM 1321 OE1 GLU A 80 83.035 -8.223 -8.768 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.585 -9.491 -9.734 1.00 0.00 O ATOM 0 H GLU A 80 80.554 -8.408 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 80 82.133 -10.901 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.745 -8.104 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.505 -9.611 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.159 -10.394 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.633 -8.737 -7.166 1.00 0.00 H new ATOM 1329 N GLY A 81 82.491 -9.418 -2.640 1.00 0.00 N ATOM 1330 CA GLY A 81 83.320 -8.993 -1.477 1.00 0.00 C ATOM 1331 C GLY A 81 84.677 -9.691 -1.546 1.00 0.00 C ATOM 1332 O GLY A 81 85.612 -9.327 -0.862 1.00 0.00 O ATOM 0 H GLY A 81 81.552 -9.742 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.453 -7.911 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.815 -9.244 -0.544 1.00 0.00 H new ATOM 1336 N GLU A 82 84.788 -10.693 -2.374 1.00 0.00 N ATOM 1337 CA GLU A 82 86.079 -11.421 -2.500 1.00 0.00 C ATOM 1338 C GLU A 82 87.036 -10.588 -3.353 1.00 0.00 C ATOM 1339 O GLU A 82 88.111 -10.218 -2.923 1.00 0.00 O ATOM 1340 CB GLU A 82 85.817 -12.778 -3.170 1.00 0.00 C ATOM 1341 CG GLU A 82 87.124 -13.373 -3.693 1.00 0.00 C ATOM 1342 CD GLU A 82 86.951 -14.874 -3.942 1.00 0.00 C ATOM 1343 OE1 GLU A 82 85.901 -15.256 -4.432 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.872 -15.615 -3.639 1.00 0.00 O ATOM 0 H GLU A 82 84.036 -11.039 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 82 86.524 -11.584 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.359 -13.462 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.111 -12.655 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.417 -12.874 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.924 -13.205 -2.972 1.00 0.00 H new ATOM 1351 N GLN A 83 86.644 -10.285 -4.554 1.00 0.00 N ATOM 1352 CA GLN A 83 87.519 -9.468 -5.439 1.00 0.00 C ATOM 1353 C GLN A 83 87.895 -8.200 -4.696 1.00 0.00 C ATOM 1354 O GLN A 83 89.044 -7.808 -4.643 1.00 0.00 O ATOM 1355 CB GLN A 83 86.771 -9.103 -6.721 1.00 0.00 C ATOM 1356 CG GLN A 83 86.184 -10.356 -7.358 1.00 0.00 C ATOM 1357 CD GLN A 83 85.233 -9.961 -8.483 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.470 -9.006 -9.195 1.00 0.00 O ATOM 1359 NE2 GLN A 83 84.157 -10.668 -8.669 1.00 0.00 N ATOM 0 H GLN A 83 85.754 -10.567 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 83 88.412 -10.034 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.975 -8.392 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.449 -8.613 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.983 -10.986 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.653 -10.943 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.963 -11.469 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.507 -10.421 -9.416 1.00 0.00 H new ATOM 1368 N ILE A 84 86.931 -7.568 -4.101 1.00 0.00 N ATOM 1369 CA ILE A 84 87.224 -6.334 -3.332 1.00 0.00 C ATOM 1370 C ILE A 84 88.300 -6.672 -2.303 1.00 0.00 C ATOM 1371 O ILE A 84 89.100 -5.842 -1.923 1.00 0.00 O ATOM 1372 CB ILE A 84 85.954 -5.863 -2.622 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.833 -5.699 -3.654 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.212 -4.521 -1.930 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.588 -5.128 -2.976 1.00 0.00 C ATOM 0 H ILE A 84 85.951 -7.852 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 84 87.569 -5.539 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 84 85.662 -6.600 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.158 -5.037 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.601 -6.662 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.304 -4.191 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.011 -4.637 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.505 -3.779 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.793 -5.013 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.258 -5.807 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.824 -4.157 -2.541 1.00 0.00 H new ATOM 1387 N ALA A 85 88.327 -7.903 -1.866 1.00 0.00 N ATOM 1388 CA ALA A 85 89.352 -8.329 -0.875 1.00 0.00 C ATOM 1389 C ALA A 85 90.636 -8.688 -1.619 1.00 0.00 C ATOM 1390 O ALA A 85 91.728 -8.547 -1.104 1.00 0.00 O ATOM 1391 CB ALA A 85 88.836 -9.547 -0.108 1.00 0.00 C ATOM 0 H ALA A 85 87.678 -8.635 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 85 89.553 -7.522 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.584 -9.863 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.913 -9.286 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.643 -10.361 -0.806 1.00 0.00 H new ATOM 1397 N GLN A 86 90.513 -9.141 -2.837 1.00 0.00 N ATOM 1398 CA GLN A 86 91.722 -9.496 -3.622 1.00 0.00 C ATOM 1399 C GLN A 86 92.330 -8.213 -4.168 1.00 0.00 C ATOM 1400 O GLN A 86 93.533 -8.049 -4.225 1.00 0.00 O ATOM 1401 CB GLN A 86 91.325 -10.412 -4.777 1.00 0.00 C ATOM 1402 CG GLN A 86 92.570 -11.081 -5.351 1.00 0.00 C ATOM 1403 CD GLN A 86 92.246 -11.703 -6.704 1.00 0.00 C ATOM 1404 OE1 GLN A 86 93.130 -11.969 -7.494 1.00 0.00 O ATOM 1405 NE2 GLN A 86 91.008 -11.949 -7.004 1.00 0.00 N ATOM 0 H GLN A 86 89.625 -9.280 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 86 92.446 -10.014 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.621 -11.168 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.818 -9.837 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.370 -10.349 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.931 -11.848 -4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 86 90.268 -11.725 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 86 90.775 -12.367 -7.905 1.00 0.00 H new ATOM 1414 N LEU A 87 91.496 -7.293 -4.549 1.00 0.00 N ATOM 1415 CA LEU A 87 91.999 -6.002 -5.071 1.00 0.00 C ATOM 1416 C LEU A 87 92.609 -5.242 -3.902 1.00 0.00 C ATOM 1417 O LEU A 87 93.660 -4.640 -4.004 1.00 0.00 O ATOM 1418 CB LEU A 87 90.831 -5.206 -5.662 1.00 0.00 C ATOM 1419 CG LEU A 87 91.307 -3.821 -6.112 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.462 -3.961 -7.121 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.134 -3.087 -6.770 1.00 0.00 C ATOM 0 H LEU A 87 90.480 -7.382 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 87 92.744 -6.158 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.406 -5.745 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.039 -5.103 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 87 91.663 -3.258 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.793 -2.971 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.292 -4.490 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.119 -4.521 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.459 -2.099 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.786 -3.656 -7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.321 -2.983 -6.052 1.00 0.00 H new ATOM 1433 N ILE A 88 91.951 -5.294 -2.783 1.00 0.00 N ATOM 1434 CA ILE A 88 92.463 -4.609 -1.570 1.00 0.00 C ATOM 1435 C ILE A 88 93.727 -5.339 -1.113 1.00 0.00 C ATOM 1436 O ILE A 88 94.762 -4.743 -0.893 1.00 0.00 O ATOM 1437 CB ILE A 88 91.382 -4.687 -0.476 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.263 -3.654 -0.763 1.00 0.00 C ATOM 1439 CG2 ILE A 88 91.996 -4.440 0.913 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.616 -2.278 -0.179 1.00 0.00 C ATOM 0 H ILE A 88 91.068 -5.789 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 88 92.696 -3.564 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 88 90.950 -5.688 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.111 -3.568 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.323 -4.003 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.216 -4.499 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.756 -5.195 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.452 -3.450 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 88 89.813 -1.574 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 88 90.743 -2.363 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.543 -1.920 -0.626 1.00 0.00 H new ATOM 1452 N ALA A 89 93.641 -6.632 -0.980 1.00 0.00 N ATOM 1453 CA ALA A 89 94.827 -7.421 -0.549 1.00 0.00 C ATOM 1454 C ALA A 89 95.937 -7.244 -1.582 1.00 0.00 C ATOM 1455 O ALA A 89 97.090 -7.531 -1.331 1.00 0.00 O ATOM 1456 CB ALA A 89 94.449 -8.900 -0.454 1.00 0.00 C ATOM 0 H ALA A 89 92.797 -7.178 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 89 95.169 -7.075 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.318 -9.478 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.647 -9.024 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.113 -9.253 -1.429 1.00 0.00 H new ATOM 1462 N GLY A 90 95.588 -6.782 -2.753 1.00 0.00 N ATOM 1463 CA GLY A 90 96.608 -6.591 -3.824 1.00 0.00 C ATOM 1464 C GLY A 90 97.242 -5.202 -3.716 1.00 0.00 C ATOM 1465 O GLY A 90 98.374 -5.004 -4.106 1.00 0.00 O ATOM 0 H GLY A 90 94.636 -6.528 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.379 -7.357 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.144 -6.711 -4.803 1.00 0.00 H new ATOM 1469 N TYR A 91 96.533 -4.231 -3.200 1.00 0.00 N ATOM 1470 CA TYR A 91 97.126 -2.864 -3.089 1.00 0.00 C ATOM 1471 C TYR A 91 97.988 -2.786 -1.828 1.00 0.00 C ATOM 1472 O TYR A 91 98.782 -1.883 -1.665 1.00 0.00 O ATOM 1473 CB TYR A 91 96.005 -1.812 -2.998 1.00 0.00 C ATOM 1474 CG TYR A 91 95.498 -1.433 -4.379 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.375 -0.894 -5.337 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.143 -1.600 -4.695 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.894 -0.533 -6.601 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.666 -1.235 -5.958 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.541 -0.704 -6.912 1.00 0.00 C ATOM 1480 OH TYR A 91 94.069 -0.343 -8.158 1.00 0.00 O ATOM 0 H TYR A 91 95.578 -4.323 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 91 97.737 -2.667 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.182 -2.204 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.376 -0.924 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.419 -0.759 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.465 -2.012 -3.961 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.569 -0.122 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.621 -1.363 -6.197 1.00 0.00 H new ATOM 0 HH TYR A 91 93.108 -0.528 -8.210 1.00 0.00 H new ATOM 1490 N ILE A 92 97.827 -3.710 -0.927 1.00 0.00 N ATOM 1491 CA ILE A 92 98.625 -3.671 0.330 1.00 0.00 C ATOM 1492 C ILE A 92 100.013 -4.270 0.098 1.00 0.00 C ATOM 1493 O ILE A 92 100.969 -3.920 0.761 1.00 0.00 O ATOM 1494 CB ILE A 92 97.893 -4.471 1.404 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.551 -3.791 1.694 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.744 -4.516 2.677 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.711 -4.674 2.617 1.00 0.00 C ATOM 0 H ILE A 92 97.177 -4.492 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 92 98.744 -2.636 0.651 1.00 0.00 H new ATOM 0 HB ILE A 92 97.720 -5.491 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.718 -2.819 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.015 -3.611 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.221 -5.087 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.700 -4.992 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.917 -3.501 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.758 -4.185 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.531 -5.635 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.245 -4.832 3.554 1.00 0.00 H new ATOM 1509 N ASP A 93 100.134 -5.173 -0.833 1.00 0.00 N ATOM 1510 CA ASP A 93 101.459 -5.798 -1.105 1.00 0.00 C ATOM 1511 C ASP A 93 102.261 -4.913 -2.062 1.00 0.00 C ATOM 1512 O ASP A 93 103.464 -5.036 -2.178 1.00 0.00 O ATOM 1513 CB ASP A 93 101.243 -7.172 -1.744 1.00 0.00 C ATOM 1514 CG ASP A 93 100.785 -8.169 -0.677 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.137 -7.743 0.265 1.00 0.00 O ATOM 1516 OD2 ASP A 93 101.090 -9.341 -0.822 1.00 0.00 O ATOM 0 H ASP A 93 99.370 -5.507 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 93 102.009 -5.907 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.497 -7.103 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.167 -7.518 -2.207 1.00 0.00 H new ATOM 1521 N ILE A 94 101.598 -4.034 -2.763 1.00 0.00 N ATOM 1522 CA ILE A 94 102.311 -3.150 -3.732 1.00 0.00 C ATOM 1523 C ILE A 94 102.838 -1.901 -3.027 1.00 0.00 C ATOM 1524 O ILE A 94 103.815 -1.311 -3.440 1.00 0.00 O ATOM 1525 CB ILE A 94 101.344 -2.743 -4.841 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.872 -3.999 -5.576 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.059 -1.816 -5.824 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.684 -3.654 -6.474 1.00 0.00 C ATOM 0 H ILE A 94 100.590 -3.889 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 94 103.156 -3.693 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 94 100.487 -2.223 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.685 -4.409 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.586 -4.767 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.370 -1.525 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.405 -0.926 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 94 102.913 -2.336 -6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.350 -4.551 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.869 -3.264 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 94 99.985 -2.901 -7.202 1.00 0.00 H new ATOM 1540 N ILE A 95 102.199 -1.489 -1.971 1.00 0.00 N ATOM 1541 CA ILE A 95 102.668 -0.271 -1.243 1.00 0.00 C ATOM 1542 C ILE A 95 103.772 -0.654 -0.266 1.00 0.00 C ATOM 1543 O ILE A 95 104.684 0.105 -0.005 1.00 0.00 O ATOM 1544 CB ILE A 95 101.509 0.341 -0.458 1.00 0.00 C ATOM 1545 CG1 ILE A 95 100.857 -0.735 0.422 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.480 0.913 -1.434 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.604 -0.167 1.096 1.00 0.00 C ATOM 0 H ILE A 95 101.373 -1.939 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 95 103.045 0.451 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 95 101.882 1.142 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.594 -1.602 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.564 -1.077 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.652 1.350 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.949 1.682 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.104 0.116 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.146 -0.935 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 95 99.879 0.686 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 95 98.894 0.153 0.333 1.00 0.00 H new ATOM 1559 N LEU A 96 103.674 -1.820 0.292 1.00 0.00 N ATOM 1560 CA LEU A 96 104.688 -2.272 1.281 1.00 0.00 C ATOM 1561 C LEU A 96 105.990 -2.668 0.572 1.00 0.00 C ATOM 1562 O LEU A 96 107.069 -2.481 1.097 1.00 0.00 O ATOM 1563 CB LEU A 96 104.106 -3.476 2.046 1.00 0.00 C ATOM 1564 CG LEU A 96 103.391 -3.003 3.331 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.342 -4.036 3.748 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.413 -2.841 4.465 1.00 0.00 C ATOM 0 H LEU A 96 102.927 -2.489 0.105 1.00 0.00 H new ATOM 0 HA LEU A 96 104.920 -1.464 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.404 -4.015 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 96 104.904 -4.173 2.302 1.00 0.00 H new ATOM 0 HG LEU A 96 102.907 -2.046 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.840 -3.699 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.609 -4.153 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.829 -4.993 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 96 103.904 -2.507 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 96 104.900 -3.797 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.162 -2.103 4.177 1.00 0.00 H new ATOM 1681 N TRP B 2 89.101 -15.097 10.192 1.00 0.00 N ATOM 1682 CA TRP B 2 89.401 -13.698 9.780 1.00 0.00 C ATOM 1683 C TRP B 2 90.625 -13.693 8.857 1.00 0.00 C ATOM 1684 O TRP B 2 91.159 -14.726 8.503 1.00 0.00 O ATOM 1685 CB TRP B 2 89.697 -12.848 11.030 1.00 0.00 C ATOM 1686 CG TRP B 2 88.425 -12.332 11.625 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.767 -12.896 12.660 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.659 -11.153 11.245 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.642 -12.140 12.940 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.533 -11.054 12.095 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.831 -10.171 10.254 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.611 -10.014 11.967 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.906 -9.124 10.123 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.800 -9.045 10.978 1.00 0.00 C ATOM 0 HA TRP B 2 88.544 -13.280 9.252 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.233 -13.447 11.766 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.346 -12.014 10.764 1.00 0.00 H new ATOM 0 HD1 TRP B 2 88.069 -13.791 13.184 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.975 -12.359 13.680 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.681 -10.223 9.589 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.758 -9.959 12.627 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.048 -8.375 9.358 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.093 -8.235 10.873 1.00 0.00 H new ATOM 1705 N VAL B 3 91.073 -12.529 8.479 1.00 0.00 N ATOM 1706 CA VAL B 3 92.261 -12.417 7.594 1.00 0.00 C ATOM 1707 C VAL B 3 92.918 -11.058 7.849 1.00 0.00 C ATOM 1708 O VAL B 3 92.245 -10.061 8.023 1.00 0.00 O ATOM 1709 CB VAL B 3 91.825 -12.539 6.131 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.599 -11.666 5.901 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.965 -12.090 5.205 1.00 0.00 C ATOM 0 H VAL B 3 90.658 -11.638 8.751 1.00 0.00 H new ATOM 0 HA VAL B 3 92.974 -13.214 7.804 1.00 0.00 H new ATOM 0 HB VAL B 3 91.581 -13.578 5.910 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.284 -11.748 4.861 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.790 -11.996 6.553 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.845 -10.628 6.124 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.647 -12.180 4.166 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.219 -11.052 5.418 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.839 -12.719 5.372 1.00 0.00 H new ATOM 1745 N SER B 5 96.809 -8.507 7.199 1.00 0.00 N ATOM 1746 CA SER B 5 97.766 -8.133 6.113 1.00 0.00 C ATOM 1747 C SER B 5 99.164 -7.946 6.732 1.00 0.00 C ATOM 1748 O SER B 5 99.279 -7.810 7.934 1.00 0.00 O ATOM 1749 CB SER B 5 97.297 -6.816 5.465 1.00 0.00 C ATOM 1750 OG SER B 5 98.283 -5.808 5.652 1.00 0.00 O ATOM 0 HA SER B 5 97.806 -8.913 5.353 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.117 -6.968 4.401 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.352 -6.499 5.906 1.00 0.00 H new ATOM 0 HG SER B 5 98.278 -5.515 6.587 1.00 0.00 H new ATOM 1756 N PRO B 6 100.191 -7.932 5.904 1.00 0.00 N ATOM 1757 CA PRO B 6 101.569 -7.747 6.396 1.00 0.00 C ATOM 1758 C PRO B 6 101.686 -6.396 7.122 1.00 0.00 C ATOM 1759 O PRO B 6 102.608 -6.169 7.880 1.00 0.00 O ATOM 1760 CB PRO B 6 102.454 -7.784 5.126 1.00 0.00 C ATOM 1761 CG PRO B 6 101.503 -7.891 3.898 1.00 0.00 C ATOM 1762 CD PRO B 6 100.071 -8.099 4.438 1.00 0.00 C ATOM 0 HA PRO B 6 101.870 -8.512 7.112 1.00 0.00 H new ATOM 0 HB2 PRO B 6 103.067 -6.885 5.059 1.00 0.00 H new ATOM 0 HB3 PRO B 6 103.136 -8.634 5.158 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.557 -6.987 3.291 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.796 -8.723 3.257 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.379 -7.373 4.013 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.692 -9.088 4.182 1.00 0.00 H new ATOM 1770 N LEU B 7 100.762 -5.499 6.893 1.00 0.00 N ATOM 1771 CA LEU B 7 100.828 -4.172 7.567 1.00 0.00 C ATOM 1772 C LEU B 7 101.064 -4.372 9.066 1.00 0.00 C ATOM 1773 O LEU B 7 101.378 -3.442 9.782 1.00 0.00 O ATOM 1774 CB LEU B 7 99.506 -3.417 7.361 1.00 0.00 C ATOM 1775 CG LEU B 7 99.294 -3.089 5.866 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.800 -2.881 5.586 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.043 -1.800 5.495 1.00 0.00 C ATOM 0 H LEU B 7 99.966 -5.630 6.269 1.00 0.00 H new ATOM 0 HA LEU B 7 101.647 -3.594 7.138 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.676 -4.020 7.728 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.513 -2.496 7.944 1.00 0.00 H new ATOM 0 HG LEU B 7 99.675 -3.921 5.273 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.656 -2.650 4.530 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.253 -3.790 5.836 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.428 -2.055 6.192 1.00 0.00 H new ATOM 0 HD21 LEU B 7 99.886 -1.579 4.439 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.667 -0.974 6.098 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.108 -1.931 5.684 1.00 0.00 H new