USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 1.98 (180deg=1.98) USER MOD Single : A 32 GLN : amide:sc= 1.18 K(o=1.2,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 110:sc= -0.0623 USER MOD Single : A 46 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -128:sc= 0.939 USER MOD Single : A 55 CYS SG : rot 0:sc= 0.488 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.67) USER MOD Single : A 78 HIS : no HE2:sc= 0.981 K(o=0.98,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 8 5.108 -12.810 6.424 1.00 25.00 N ATOM 59 CA GLU A 8 4.483 -11.503 6.632 1.00 25.00 C ATOM 60 C GLU A 8 4.712 -11.069 8.072 1.00 25.00 C ATOM 61 O GLU A 8 4.782 -11.905 8.980 1.00 25.00 O ATOM 62 CB GLU A 8 2.986 -11.579 6.337 1.00 25.00 C ATOM 63 CG GLU A 8 2.692 -11.731 4.854 1.00 25.00 C ATOM 64 CD GLU A 8 1.211 -11.861 4.559 1.00 25.00 C ATOM 65 OE1 GLU A 8 0.409 -10.981 4.950 1.00 25.00 O ATOM 66 OE2 GLU A 8 0.821 -12.860 3.911 1.00 25.00 O ATOM 0 HA GLU A 8 4.929 -10.775 5.955 1.00 25.00 H new ATOM 0 HB2 GLU A 8 2.555 -12.421 6.878 1.00 25.00 H new ATOM 0 HB3 GLU A 8 2.499 -10.678 6.710 1.00 25.00 H new ATOM 0 HG2 GLU A 8 3.090 -10.869 4.319 1.00 25.00 H new ATOM 0 HG3 GLU A 8 3.212 -12.610 4.473 1.00 25.00 H new ATOM 73 N ALA A 9 4.867 -9.770 8.279 1.00 25.00 N ATOM 74 CA ALA A 9 5.119 -9.216 9.603 1.00 25.00 C ATOM 75 C ALA A 9 3.924 -9.436 10.541 1.00 25.00 C ATOM 76 O ALA A 9 2.765 -9.457 10.104 1.00 25.00 O ATOM 77 CB ALA A 9 5.442 -7.728 9.468 1.00 25.00 C ATOM 0 H ALA A 9 4.822 -9.071 7.537 1.00 25.00 H new ATOM 0 HA ALA A 9 5.970 -9.733 10.047 1.00 25.00 H new ATOM 0 HB1 ALA A 9 5.632 -7.306 10.455 1.00 25.00 H new ATOM 0 HB2 ALA A 9 6.327 -7.603 8.843 1.00 25.00 H new ATOM 0 HB3 ALA A 9 4.598 -7.213 9.009 1.00 25.00 H new ATOM 83 N LYS A 10 4.208 -9.598 11.828 1.00 25.00 N ATOM 84 CA LYS A 10 3.157 -9.813 12.827 1.00 25.00 C ATOM 85 C LYS A 10 2.302 -8.549 12.955 1.00 25.00 C ATOM 86 O LYS A 10 2.854 -7.444 12.974 1.00 25.00 O ATOM 87 CB LYS A 10 3.762 -10.120 14.207 1.00 25.00 C ATOM 88 CG LYS A 10 4.702 -11.327 14.290 1.00 25.00 C ATOM 89 CD LYS A 10 4.050 -12.660 13.954 1.00 25.00 C ATOM 90 CE LYS A 10 5.033 -13.807 14.154 1.00 25.00 C ATOM 91 NZ LYS A 10 4.449 -15.118 13.732 1.00 25.00 N ATOM 0 H LYS A 10 5.154 -9.585 12.208 1.00 25.00 H new ATOM 0 HA LYS A 10 2.553 -10.659 12.499 1.00 25.00 H new ATOM 0 HB2 LYS A 10 4.308 -9.239 14.543 1.00 25.00 H new ATOM 0 HB3 LYS A 10 2.944 -10.276 14.911 1.00 25.00 H new ATOM 0 HG2 LYS A 10 5.540 -11.166 13.612 1.00 25.00 H new ATOM 0 HG3 LYS A 10 5.113 -11.382 15.298 1.00 25.00 H new ATOM 0 HD2 LYS A 10 3.174 -12.811 14.585 1.00 25.00 H new ATOM 0 HD3 LYS A 10 3.701 -12.650 12.921 1.00 25.00 H new ATOM 0 HE2 LYS A 10 5.940 -13.612 13.582 1.00 25.00 H new ATOM 0 HE3 LYS A 10 5.323 -13.859 15.204 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 5.147 -15.874 13.883 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 3.597 -15.316 14.295 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 4.196 -15.077 12.724 1.00 25.00 H new ATOM 105 N PRO A 11 0.969 -8.679 13.065 1.00 25.00 N ATOM 106 CA PRO A 11 0.220 -7.436 13.280 1.00 25.00 C ATOM 107 C PRO A 11 0.347 -6.931 14.718 1.00 25.00 C ATOM 108 O PRO A 11 0.795 -7.658 15.614 1.00 25.00 O ATOM 109 CB PRO A 11 -1.218 -7.860 12.971 1.00 25.00 C ATOM 110 CG PRO A 11 -1.272 -9.264 13.433 1.00 25.00 C ATOM 111 CD PRO A 11 0.063 -9.844 13.029 1.00 25.00 C ATOM 0 HA PRO A 11 0.579 -6.611 12.665 1.00 25.00 H new ATOM 0 HB2 PRO A 11 -1.942 -7.237 13.496 1.00 25.00 H new ATOM 0 HB3 PRO A 11 -1.440 -7.779 11.907 1.00 25.00 H new ATOM 0 HG2 PRO A 11 -1.421 -9.322 14.511 1.00 25.00 H new ATOM 0 HG3 PRO A 11 -2.097 -9.804 12.968 1.00 25.00 H new ATOM 0 HD2 PRO A 11 0.386 -10.625 13.717 1.00 25.00 H new ATOM 0 HD3 PRO A 11 0.023 -10.291 12.036 1.00 25.00 H new ATOM 119 N SER A 12 -0.091 -5.697 14.929 1.00 25.00 N ATOM 120 CA SER A 12 -0.216 -5.064 16.246 1.00 25.00 C ATOM 121 C SER A 12 1.055 -5.019 17.099 1.00 25.00 C ATOM 122 O SER A 12 0.991 -5.094 18.329 1.00 25.00 O ATOM 123 CB SER A 12 -1.361 -5.720 17.025 1.00 25.00 C ATOM 124 OG SER A 12 -2.541 -5.735 16.231 1.00 25.00 O ATOM 0 H SER A 12 -0.380 -5.084 14.166 1.00 25.00 H new ATOM 0 HA SER A 12 -0.428 -4.016 16.035 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.087 -6.738 17.303 1.00 25.00 H new ATOM 0 HB3 SER A 12 -1.542 -5.174 17.951 1.00 25.00 H new ATOM 0 HG SER A 12 -3.268 -6.157 16.734 1.00 25.00 H new ATOM 130 N THR A 13 2.210 -4.867 16.468 1.00 25.00 N ATOM 131 CA THR A 13 3.460 -4.696 17.216 1.00 25.00 C ATOM 132 C THR A 13 3.511 -3.256 17.720 1.00 25.00 C ATOM 133 O THR A 13 2.817 -2.388 17.186 1.00 25.00 O ATOM 134 CB THR A 13 4.702 -4.986 16.347 1.00 25.00 C ATOM 135 OG1 THR A 13 4.681 -4.156 15.184 1.00 25.00 O ATOM 136 CG2 THR A 13 4.727 -6.427 15.879 1.00 25.00 C ATOM 0 H THR A 13 2.314 -4.858 15.453 1.00 25.00 H new ATOM 0 HA THR A 13 3.476 -5.407 18.042 1.00 25.00 H new ATOM 0 HB THR A 13 5.581 -4.787 16.960 1.00 25.00 H new ATOM 0 HG1 THR A 13 5.472 -4.341 14.635 1.00 25.00 H new ATOM 0 HG21 THR A 13 5.615 -6.596 15.270 1.00 25.00 H new ATOM 0 HG22 THR A 13 4.749 -7.090 16.744 1.00 25.00 H new ATOM 0 HG23 THR A 13 3.836 -6.633 15.286 1.00 25.00 H new ATOM 144 N GLU A 14 4.298 -2.988 18.752 1.00 25.00 N ATOM 145 CA GLU A 14 4.330 -1.675 19.411 1.00 25.00 C ATOM 146 C GLU A 14 5.372 -0.696 18.858 1.00 25.00 C ATOM 147 O GLU A 14 5.495 0.428 19.354 1.00 25.00 O ATOM 148 CB GLU A 14 4.604 -1.880 20.906 1.00 25.00 C ATOM 149 CG GLU A 14 3.542 -2.713 21.616 1.00 25.00 C ATOM 150 CD GLU A 14 3.881 -2.984 23.072 1.00 25.00 C ATOM 151 OE1 GLU A 14 4.670 -2.233 23.699 1.00 25.00 O ATOM 152 OE2 GLU A 14 3.357 -3.984 23.622 1.00 25.00 O ATOM 0 H GLU A 14 4.936 -3.670 19.162 1.00 25.00 H new ATOM 0 HA GLU A 14 3.357 -1.223 19.218 1.00 25.00 H new ATOM 0 HB2 GLU A 14 5.573 -2.365 21.025 1.00 25.00 H new ATOM 0 HB3 GLU A 14 4.673 -0.906 21.390 1.00 25.00 H new ATOM 0 HG2 GLU A 14 2.584 -2.195 21.561 1.00 25.00 H new ATOM 0 HG3 GLU A 14 3.422 -3.662 21.093 1.00 25.00 H new ATOM 159 N ASP A 15 6.129 -1.137 17.857 1.00 25.00 N ATOM 160 CA ASP A 15 7.199 -0.354 17.208 1.00 25.00 C ATOM 161 C ASP A 15 8.291 0.048 18.213 1.00 25.00 C ATOM 162 O ASP A 15 8.842 1.154 18.175 1.00 25.00 O ATOM 163 CB ASP A 15 6.618 0.874 16.485 1.00 25.00 C ATOM 164 CG ASP A 15 7.589 1.502 15.503 1.00 25.00 C ATOM 165 OD1 ASP A 15 8.280 0.776 14.745 1.00 25.00 O ATOM 166 OD2 ASP A 15 7.643 2.748 15.437 1.00 25.00 O ATOM 0 H ASP A 15 6.020 -2.070 17.459 1.00 25.00 H new ATOM 0 HA ASP A 15 7.670 -0.990 16.459 1.00 25.00 H new ATOM 0 HB2 ASP A 15 5.713 0.581 15.954 1.00 25.00 H new ATOM 0 HB3 ASP A 15 6.326 1.619 17.225 1.00 25.00 H new ATOM 171 N LEU A 16 8.552 -0.835 19.170 1.00 25.00 N ATOM 172 CA LEU A 16 9.444 -0.548 20.297 1.00 25.00 C ATOM 173 C LEU A 16 10.892 -0.240 19.896 1.00 25.00 C ATOM 174 O LEU A 16 11.500 -0.963 19.092 1.00 25.00 O ATOM 175 CB LEU A 16 9.435 -1.750 21.252 1.00 25.00 C ATOM 176 CG LEU A 16 10.185 -1.609 22.589 1.00 25.00 C ATOM 177 CD1 LEU A 16 9.527 -0.590 23.516 1.00 50.00 C ATOM 178 CD2 LEU A 16 10.266 -2.953 23.295 1.00 50.00 C ATOM 0 H LEU A 16 8.152 -1.773 19.190 1.00 25.00 H new ATOM 0 HA LEU A 16 9.061 0.356 20.771 1.00 25.00 H new ATOM 0 HB2 LEU A 16 8.396 -1.993 21.475 1.00 25.00 H new ATOM 0 HB3 LEU A 16 9.855 -2.604 20.720 1.00 25.00 H new ATOM 0 HG LEU A 16 11.188 -1.252 22.354 1.00 25.00 H new ATOM 0 HD11 LEU A 16 10.092 -0.526 24.446 1.00 50.00 H new ATOM 0 HD12 LEU A 16 9.513 0.386 23.032 1.00 50.00 H new ATOM 0 HD13 LEU A 16 8.505 -0.902 23.733 1.00 50.00 H new ATOM 0 HD21 LEU A 16 10.799 -2.837 24.239 1.00 50.00 H new ATOM 0 HD22 LEU A 16 9.259 -3.323 23.490 1.00 50.00 H new ATOM 0 HD23 LEU A 16 10.798 -3.664 22.663 1.00 50.00 H new ATOM 190 N GLY A 17 11.450 0.804 20.498 1.00 25.00 N ATOM 191 CA GLY A 17 12.821 1.220 20.238 1.00 25.00 C ATOM 192 C GLY A 17 12.905 2.516 19.457 1.00 25.00 C ATOM 193 O GLY A 17 13.933 2.825 18.852 1.00 25.00 O ATOM 0 H GLY A 17 10.963 1.385 21.180 1.00 25.00 H new ATOM 0 HA2 GLY A 17 13.346 1.338 21.186 1.00 25.00 H new ATOM 0 HA3 GLY A 17 13.335 0.434 19.685 1.00 25.00 H new ATOM 197 N ASP A 18 11.829 3.288 19.443 1.00 25.00 N ATOM 198 CA ASP A 18 11.728 4.483 18.599 1.00 25.00 C ATOM 199 C ASP A 18 12.315 5.761 19.226 1.00 25.00 C ATOM 200 O ASP A 18 11.670 6.812 19.270 1.00 25.00 O ATOM 201 CB ASP A 18 10.263 4.702 18.212 1.00 25.00 C ATOM 202 CG ASP A 18 10.109 5.628 17.021 1.00 25.00 C ATOM 203 OD1 ASP A 18 11.041 5.752 16.194 1.00 25.00 O ATOM 204 OD2 ASP A 18 9.034 6.252 16.886 1.00 25.00 O ATOM 0 H ASP A 18 11.001 3.110 20.012 1.00 25.00 H new ATOM 0 HA ASP A 18 12.340 4.292 17.717 1.00 25.00 H new ATOM 0 HB2 ASP A 18 9.804 3.741 17.982 1.00 25.00 H new ATOM 0 HB3 ASP A 18 9.724 5.118 19.063 1.00 25.00 H new ATOM 209 N LYS A 19 13.540 5.637 19.732 1.00 25.00 N ATOM 210 CA LYS A 19 14.331 6.700 20.387 1.00 25.00 C ATOM 211 C LYS A 19 13.606 7.540 21.449 1.00 25.00 C ATOM 212 O LYS A 19 13.872 8.733 21.624 1.00 25.00 O ATOM 213 CB LYS A 19 15.079 7.566 19.349 1.00 25.00 C ATOM 214 CG LYS A 19 14.262 8.453 18.400 1.00 25.00 C ATOM 215 CD LYS A 19 15.168 9.235 17.456 1.00 25.00 C ATOM 216 CE LYS A 19 14.361 10.191 16.579 1.00 25.00 C ATOM 217 NZ LYS A 19 15.213 10.918 15.575 1.00 1.00 N ATOM 0 H LYS A 19 14.042 4.750 19.699 1.00 25.00 H new ATOM 0 HA LYS A 19 15.065 6.155 20.981 1.00 25.00 H new ATOM 0 HB2 LYS A 19 15.768 8.212 19.893 1.00 25.00 H new ATOM 0 HB3 LYS A 19 15.685 6.898 18.737 1.00 25.00 H new ATOM 0 HG2 LYS A 19 13.576 7.835 17.821 1.00 25.00 H new ATOM 0 HG3 LYS A 19 13.653 9.146 18.980 1.00 25.00 H new ATOM 0 HD2 LYS A 19 15.900 9.799 18.034 1.00 25.00 H new ATOM 0 HD3 LYS A 19 15.725 8.542 16.826 1.00 25.00 H new ATOM 0 HE2 LYS A 19 13.587 9.630 16.054 1.00 25.00 H new ATOM 0 HE3 LYS A 19 13.854 10.918 17.213 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 14.616 11.552 15.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 15.936 11.476 16.073 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 15.678 10.229 14.950 1.00 1.00 H new ATOM 275 N GLU A 23 17.540 7.523 28.826 1.00 25.00 N ATOM 276 CA GLU A 23 18.900 7.097 29.165 1.00 25.00 C ATOM 277 C GLU A 23 19.846 7.612 28.083 1.00 25.00 C ATOM 278 O GLU A 23 19.485 7.641 26.901 1.00 25.00 O ATOM 279 CB GLU A 23 18.991 5.572 29.255 1.00 25.00 C ATOM 280 CG GLU A 23 18.431 4.969 30.543 1.00 25.00 C ATOM 281 CD GLU A 23 16.924 5.132 30.697 1.00 25.00 C ATOM 282 OE1 GLU A 23 16.164 4.827 29.751 1.00 25.00 O ATOM 283 OE2 GLU A 23 16.472 5.584 31.775 1.00 25.00 O ATOM 0 HA GLU A 23 19.175 7.504 30.138 1.00 25.00 H new ATOM 0 HB2 GLU A 23 18.459 5.140 28.407 1.00 25.00 H new ATOM 0 HB3 GLU A 23 20.036 5.279 29.158 1.00 25.00 H new ATOM 0 HG2 GLU A 23 18.677 3.907 30.572 1.00 25.00 H new ATOM 0 HG3 GLU A 23 18.926 5.434 31.395 1.00 25.00 H new ATOM 290 N TYR A 24 21.041 8.035 28.467 1.00 25.00 N ATOM 291 CA TYR A 24 22.001 8.602 27.524 1.00 25.00 C ATOM 292 C TYR A 24 23.409 8.153 27.892 1.00 25.00 C ATOM 293 O TYR A 24 23.643 7.695 29.015 1.00 25.00 O ATOM 294 CB TYR A 24 21.901 10.136 27.513 1.00 25.00 C ATOM 295 CG TYR A 24 22.277 10.813 28.811 1.00 25.00 C ATOM 296 CD1 TYR A 24 23.616 11.176 29.076 1.00 25.00 C ATOM 297 CD2 TYR A 24 21.294 11.130 29.769 1.00 25.00 C ATOM 298 CE1 TYR A 24 23.962 11.847 30.278 1.00 25.00 C ATOM 299 CE2 TYR A 24 21.637 11.798 30.971 1.00 25.00 C ATOM 300 CZ TYR A 24 22.962 12.161 31.205 1.00 25.00 C ATOM 301 OH TYR A 24 23.277 12.846 32.348 1.00 25.00 O ATOM 0 H TYR A 24 21.373 7.997 29.431 1.00 25.00 H new ATOM 0 HA TYR A 24 21.771 8.243 26.521 1.00 25.00 H new ATOM 0 HB2 TYR A 24 22.544 10.521 26.721 1.00 25.00 H new ATOM 0 HB3 TYR A 24 20.879 10.416 27.258 1.00 25.00 H new ATOM 0 HD1 TYR A 24 24.385 10.940 28.356 1.00 25.00 H new ATOM 0 HD2 TYR A 24 20.265 10.860 29.585 1.00 25.00 H new ATOM 0 HE1 TYR A 24 24.990 12.113 30.476 1.00 25.00 H new ATOM 0 HE2 TYR A 24 20.875 12.025 31.702 1.00 25.00 H new ATOM 0 HH TYR A 24 22.466 12.983 32.881 1.00 25.00 H new ATOM 311 N ILE A 25 24.339 8.298 26.963 1.00 25.00 N ATOM 312 CA ILE A 25 25.734 7.916 27.157 1.00 25.00 C ATOM 313 C ILE A 25 26.554 9.201 27.030 1.00 25.00 C ATOM 314 O ILE A 25 26.238 10.090 26.229 1.00 25.00 O ATOM 315 CB ILE A 25 26.144 6.774 26.165 1.00 25.00 C ATOM 316 CG1 ILE A 25 27.527 6.211 26.541 1.00 25.00 C ATOM 317 CG2 ILE A 25 26.071 7.230 24.692 1.00 25.00 C ATOM 318 CD1 ILE A 25 27.934 4.921 25.828 1.00 25.00 C ATOM 0 H ILE A 25 24.148 8.689 26.040 1.00 25.00 H new ATOM 0 HA ILE A 25 25.917 7.484 28.141 1.00 25.00 H new ATOM 0 HB ILE A 25 25.420 5.965 26.260 1.00 25.00 H new ATOM 0 HG12 ILE A 25 28.278 6.973 26.332 1.00 25.00 H new ATOM 0 HG13 ILE A 25 27.546 6.032 27.616 1.00 25.00 H new ATOM 0 HG21 ILE A 25 26.364 6.406 24.041 1.00 25.00 H new ATOM 0 HG22 ILE A 25 25.052 7.535 24.456 1.00 25.00 H new ATOM 0 HG23 ILE A 25 26.746 8.072 24.538 1.00 25.00 H new ATOM 0 HD11 ILE A 25 28.923 4.614 26.167 1.00 25.00 H new ATOM 0 HD12 ILE A 25 27.213 4.136 26.056 1.00 25.00 H new ATOM 0 HD13 ILE A 25 27.956 5.092 24.752 1.00 25.00 H new ATOM 330 N LYS A 26 27.558 9.325 27.889 1.00 25.00 N ATOM 331 CA LYS A 26 28.409 10.516 27.979 1.00 25.00 C ATOM 332 C LYS A 26 29.904 10.171 27.996 1.00 25.00 C ATOM 333 O LYS A 26 30.731 11.021 28.316 1.00 25.00 O ATOM 334 CB LYS A 26 28.017 11.346 29.216 1.00 25.00 C ATOM 335 CG LYS A 26 28.227 10.623 30.544 1.00 25.00 C ATOM 336 CD LYS A 26 27.930 11.465 31.771 1.00 25.00 C ATOM 337 CE LYS A 26 28.226 10.641 33.025 1.00 25.00 C ATOM 338 NZ LYS A 26 28.115 11.425 34.297 1.00 25.00 N ATOM 0 H LYS A 26 27.812 8.594 28.554 1.00 25.00 H new ATOM 0 HA LYS A 26 28.242 11.110 27.081 1.00 25.00 H new ATOM 0 HB2 LYS A 26 28.598 12.268 29.221 1.00 25.00 H new ATOM 0 HB3 LYS A 26 26.968 11.631 29.132 1.00 25.00 H new ATOM 0 HG2 LYS A 26 27.593 9.736 30.565 1.00 25.00 H new ATOM 0 HG3 LYS A 26 29.260 10.278 30.596 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.538 12.370 31.763 1.00 25.00 H new ATOM 0 HD3 LYS A 26 26.887 11.782 31.766 1.00 25.00 H new ATOM 0 HE2 LYS A 26 27.537 9.797 33.066 1.00 25.00 H new ATOM 0 HE3 LYS A 26 29.232 10.228 32.949 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 28.328 10.807 35.106 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 28.791 12.215 34.278 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 27.149 11.798 34.392 1.00 25.00 H new ATOM 352 N LEU A 27 30.266 8.941 27.648 1.00 25.00 N ATOM 353 CA LEU A 27 31.683 8.551 27.598 1.00 25.00 C ATOM 354 C LEU A 27 32.412 9.335 26.507 1.00 25.00 C ATOM 355 O LEU A 27 31.902 9.479 25.386 1.00 25.00 O ATOM 356 CB LEU A 27 31.845 7.051 27.310 1.00 25.00 C ATOM 357 CG LEU A 27 31.750 6.033 28.460 1.00 25.00 C ATOM 358 CD1 LEU A 27 31.726 4.609 27.904 1.00 50.00 C ATOM 359 CD2 LEU A 27 32.929 6.145 29.431 1.00 50.00 C ATOM 0 H LEU A 27 29.612 8.200 27.398 1.00 25.00 H new ATOM 0 HA LEU A 27 32.112 8.774 28.575 1.00 25.00 H new ATOM 0 HB2 LEU A 27 31.090 6.779 26.573 1.00 25.00 H new ATOM 0 HB3 LEU A 27 32.817 6.915 26.836 1.00 25.00 H new ATOM 0 HG LEU A 27 30.829 6.255 28.999 1.00 25.00 H new ATOM 0 HD11 LEU A 27 31.659 3.898 28.727 1.00 50.00 H new ATOM 0 HD12 LEU A 27 30.863 4.489 27.249 1.00 50.00 H new ATOM 0 HD13 LEU A 27 32.639 4.424 27.338 1.00 50.00 H new ATOM 0 HD21 LEU A 27 32.818 5.407 30.225 1.00 50.00 H new ATOM 0 HD22 LEU A 27 33.860 5.964 28.895 1.00 50.00 H new ATOM 0 HD23 LEU A 27 32.949 7.145 29.865 1.00 50.00 H new ATOM 371 N LYS A 28 33.593 9.855 26.812 1.00 25.00 N ATOM 372 CA LYS A 28 34.390 10.578 25.815 1.00 25.00 C ATOM 373 C LYS A 28 35.003 9.600 24.814 1.00 25.00 C ATOM 374 O LYS A 28 35.159 8.419 25.110 1.00 25.00 O ATOM 375 CB LYS A 28 35.512 11.382 26.490 1.00 25.00 C ATOM 376 CG LYS A 28 35.013 12.484 27.422 1.00 25.00 C ATOM 377 CD LYS A 28 36.151 13.364 27.926 1.00 25.00 C ATOM 378 CE LYS A 28 35.616 14.470 28.832 1.00 25.00 C ATOM 379 NZ LYS A 28 36.684 15.444 29.245 1.00 25.00 N ATOM 0 H LYS A 28 34.023 9.794 27.735 1.00 25.00 H new ATOM 0 HA LYS A 28 33.726 11.266 25.292 1.00 25.00 H new ATOM 0 HB2 LYS A 28 36.144 10.699 27.058 1.00 25.00 H new ATOM 0 HB3 LYS A 28 36.139 11.829 25.719 1.00 25.00 H new ATOM 0 HG2 LYS A 28 34.283 13.100 26.897 1.00 25.00 H new ATOM 0 HG3 LYS A 28 34.498 12.035 28.271 1.00 25.00 H new ATOM 0 HD2 LYS A 28 36.873 12.757 28.472 1.00 25.00 H new ATOM 0 HD3 LYS A 28 36.680 13.804 27.080 1.00 25.00 H new ATOM 0 HE2 LYS A 28 34.821 15.006 28.314 1.00 25.00 H new ATOM 0 HE3 LYS A 28 35.173 14.023 29.722 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 36.269 16.174 29.859 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 37.432 14.940 29.763 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 37.091 15.892 28.399 1.00 25.00 H new ATOM 393 N VAL A 29 35.381 10.106 23.652 1.00 25.00 N ATOM 394 CA VAL A 29 36.225 9.393 22.687 1.00 25.00 C ATOM 395 C VAL A 29 37.274 10.454 22.387 1.00 25.00 C ATOM 396 O VAL A 29 36.909 11.620 22.255 1.00 25.00 O ATOM 397 CB VAL A 29 35.449 8.974 21.401 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.385 8.365 20.345 1.00 50.00 C ATOM 399 CG2 VAL A 29 34.353 7.955 21.734 1.00 50.00 C ATOM 0 H VAL A 29 35.110 11.039 23.341 1.00 25.00 H new ATOM 0 HA VAL A 29 36.621 8.449 23.063 1.00 25.00 H new ATOM 0 HB VAL A 29 35.001 9.881 20.995 1.00 25.00 H new ATOM 0 HG11 VAL A 29 35.807 8.086 19.464 1.00 50.00 H new ATOM 0 HG12 VAL A 29 37.143 9.097 20.065 1.00 50.00 H new ATOM 0 HG13 VAL A 29 36.870 7.480 20.756 1.00 50.00 H new ATOM 0 HG21 VAL A 29 33.825 7.677 20.822 1.00 50.00 H new ATOM 0 HG22 VAL A 29 34.804 7.067 22.177 1.00 50.00 H new ATOM 0 HG23 VAL A 29 33.649 8.395 22.441 1.00 50.00 H new ATOM 409 N ILE A 30 38.553 10.103 22.367 1.00 25.00 N ATOM 410 CA ILE A 30 39.638 11.080 22.231 1.00 25.00 C ATOM 411 C ILE A 30 40.572 10.463 21.173 1.00 25.00 C ATOM 412 O ILE A 30 40.410 9.285 20.822 1.00 25.00 O ATOM 413 CB ILE A 30 40.331 11.373 23.629 1.00 25.00 C ATOM 414 CG1 ILE A 30 39.263 11.561 24.741 1.00 25.00 C ATOM 415 CG2 ILE A 30 41.258 12.621 23.561 1.00 25.00 C ATOM 416 CD1 ILE A 30 39.767 11.756 26.179 1.00 25.00 C ATOM 0 H ILE A 30 38.872 9.137 22.444 1.00 25.00 H new ATOM 0 HA ILE A 30 39.300 12.066 21.911 1.00 25.00 H new ATOM 0 HB ILE A 30 40.949 10.509 23.873 1.00 25.00 H new ATOM 0 HG12 ILE A 30 38.652 12.424 24.478 1.00 25.00 H new ATOM 0 HG13 ILE A 30 38.607 10.690 24.729 1.00 25.00 H new ATOM 0 HG21 ILE A 30 41.714 12.789 24.537 1.00 25.00 H new ATOM 0 HG22 ILE A 30 42.039 12.454 22.819 1.00 25.00 H new ATOM 0 HG23 ILE A 30 40.671 13.495 23.279 1.00 25.00 H new ATOM 0 HD11 ILE A 30 38.916 11.875 26.850 1.00 25.00 H new ATOM 0 HD12 ILE A 30 40.349 10.886 26.482 1.00 25.00 H new ATOM 0 HD13 ILE A 30 40.394 12.646 26.227 1.00 25.00 H new ATOM 428 N GLY A 31 41.517 11.231 20.649 1.00 25.00 N ATOM 429 CA GLY A 31 42.496 10.748 19.686 1.00 25.00 C ATOM 430 C GLY A 31 43.828 11.390 20.020 1.00 25.00 C ATOM 431 O GLY A 31 43.927 12.075 21.039 1.00 25.00 O ATOM 0 H GLY A 31 41.626 12.218 20.883 1.00 25.00 H new ATOM 0 HA2 GLY A 31 42.573 9.662 19.731 1.00 25.00 H new ATOM 0 HA3 GLY A 31 42.192 11.004 18.671 1.00 25.00 H new ATOM 435 N GLN A 32 44.850 11.203 19.197 1.00 25.00 N ATOM 436 CA GLN A 32 46.192 11.699 19.521 1.00 25.00 C ATOM 437 C GLN A 32 46.311 13.190 19.233 1.00 25.00 C ATOM 438 O GLN A 32 47.119 13.891 19.841 1.00 25.00 O ATOM 439 CB GLN A 32 47.281 10.941 18.751 1.00 25.00 C ATOM 440 CG GLN A 32 47.491 9.500 19.211 1.00 25.00 C ATOM 441 CD GLN A 32 46.371 8.581 18.794 1.00 25.00 C ATOM 442 OE1 GLN A 32 46.182 8.295 17.615 1.00 25.00 O ATOM 443 NE2 GLN A 32 45.583 8.163 19.733 1.00 25.00 N ATOM 0 H GLN A 32 44.783 10.715 18.304 1.00 25.00 H new ATOM 0 HA GLN A 32 46.340 11.528 20.587 1.00 25.00 H new ATOM 0 HB2 GLN A 32 47.025 10.938 17.692 1.00 25.00 H new ATOM 0 HB3 GLN A 32 48.222 11.482 18.850 1.00 25.00 H new ATOM 0 HG2 GLN A 32 48.431 9.127 18.803 1.00 25.00 H new ATOM 0 HG3 GLN A 32 47.585 9.481 20.297 1.00 25.00 H new ATOM 0 HE21 GLN A 32 45.766 8.418 20.704 1.00 25.00 H new ATOM 0 HE22 GLN A 32 44.779 7.579 19.502 1.00 25.00 H new ATOM 452 N ASP A 33 45.436 13.714 18.382 1.00 25.00 N ATOM 453 CA ASP A 33 45.356 15.164 18.164 1.00 25.00 C ATOM 454 C ASP A 33 44.681 15.856 19.353 1.00 25.00 C ATOM 455 O ASP A 33 44.611 17.083 19.432 1.00 25.00 O ATOM 456 CB ASP A 33 44.617 15.493 16.866 1.00 25.00 C ATOM 457 CG ASP A 33 44.827 16.936 16.430 1.00 25.00 C ATOM 458 OD1 ASP A 33 45.959 17.468 16.555 1.00 25.00 O ATOM 459 OD2 ASP A 33 43.860 17.566 15.942 1.00 25.00 O ATOM 0 H ASP A 33 44.774 13.166 17.833 1.00 25.00 H new ATOM 0 HA ASP A 33 46.375 15.540 18.075 1.00 25.00 H new ATOM 0 HB2 ASP A 33 44.959 14.824 16.076 1.00 25.00 H new ATOM 0 HB3 ASP A 33 43.551 15.308 17.001 1.00 25.00 H new ATOM 464 N SER A 34 44.266 15.040 20.317 1.00 25.00 N ATOM 465 CA SER A 34 43.770 15.454 21.629 1.00 25.00 C ATOM 466 C SER A 34 42.522 16.324 21.598 1.00 25.00 C ATOM 467 O SER A 34 42.292 17.147 22.487 1.00 25.00 O ATOM 468 CB SER A 34 44.891 16.121 22.425 1.00 25.00 C ATOM 469 OG SER A 34 46.051 15.308 22.391 1.00 25.00 O ATOM 0 H SER A 34 44.266 14.027 20.202 1.00 25.00 H new ATOM 0 HA SER A 34 43.451 14.539 22.129 1.00 25.00 H new ATOM 0 HB2 SER A 34 45.112 17.103 22.007 1.00 25.00 H new ATOM 0 HB3 SER A 34 44.575 16.277 23.456 1.00 25.00 H new ATOM 0 HG SER A 34 46.768 15.740 22.901 1.00 25.00 H new ATOM 475 N SER A 35 41.704 16.116 20.579 1.00 25.00 N ATOM 476 CA SER A 35 40.363 16.686 20.529 1.00 25.00 C ATOM 477 C SER A 35 39.459 15.644 21.184 1.00 25.00 C ATOM 478 O SER A 35 39.705 14.444 21.031 1.00 25.00 O ATOM 479 CB SER A 35 39.949 16.903 19.077 1.00 25.00 C ATOM 480 OG SER A 35 40.874 17.734 18.398 1.00 25.00 O ATOM 0 H SER A 35 41.947 15.550 19.766 1.00 25.00 H new ATOM 0 HA SER A 35 40.305 17.650 21.035 1.00 25.00 H new ATOM 0 HB2 SER A 35 39.879 15.941 18.569 1.00 25.00 H new ATOM 0 HB3 SER A 35 38.957 17.354 19.043 1.00 25.00 H new ATOM 0 HG SER A 35 40.585 17.855 17.469 1.00 25.00 H new ATOM 486 N GLU A 36 38.438 16.060 21.918 1.00 25.00 N ATOM 487 CA GLU A 36 37.552 15.125 22.613 1.00 25.00 C ATOM 488 C GLU A 36 36.166 15.181 21.978 1.00 25.00 C ATOM 489 O GLU A 36 35.642 16.264 21.711 1.00 25.00 O ATOM 490 CB GLU A 36 37.434 15.502 24.094 1.00 25.00 C ATOM 491 CG GLU A 36 38.766 15.552 24.846 1.00 25.00 C ATOM 492 CD GLU A 36 38.595 15.837 26.332 1.00 25.00 C ATOM 493 OE1 GLU A 36 37.620 16.520 26.720 1.00 25.00 O ATOM 494 OE2 GLU A 36 39.441 15.395 27.145 1.00 25.00 O ATOM 0 H GLU A 36 38.198 17.042 22.051 1.00 25.00 H new ATOM 0 HA GLU A 36 37.967 14.120 22.531 1.00 25.00 H new ATOM 0 HB2 GLU A 36 36.952 16.477 24.170 1.00 25.00 H new ATOM 0 HB3 GLU A 36 36.780 14.783 24.587 1.00 25.00 H new ATOM 0 HG2 GLU A 36 39.285 14.602 24.720 1.00 25.00 H new ATOM 0 HG3 GLU A 36 39.399 16.321 24.404 1.00 25.00 H new ATOM 501 N ILE A 37 35.563 14.028 21.733 1.00 25.00 N ATOM 502 CA ILE A 37 34.186 13.951 21.250 1.00 25.00 C ATOM 503 C ILE A 37 33.380 13.617 22.497 1.00 25.00 C ATOM 504 O ILE A 37 33.580 12.556 23.107 1.00 25.00 O ATOM 505 CB ILE A 37 33.969 12.859 20.162 1.00 25.00 C ATOM 506 CG1 ILE A 37 34.967 13.039 19.001 1.00 25.00 C ATOM 507 CG2 ILE A 37 32.507 12.918 19.644 1.00 25.00 C ATOM 508 CD1 ILE A 37 35.001 11.898 17.970 1.00 25.00 C ATOM 0 H ILE A 37 36.009 13.120 21.862 1.00 25.00 H new ATOM 0 HA ILE A 37 33.893 14.883 20.766 1.00 25.00 H new ATOM 0 HB ILE A 37 34.146 11.879 20.606 1.00 25.00 H new ATOM 0 HG12 ILE A 37 34.729 13.967 18.481 1.00 25.00 H new ATOM 0 HG13 ILE A 37 35.967 13.156 19.420 1.00 25.00 H new ATOM 0 HG21 ILE A 37 32.360 12.152 18.883 1.00 25.00 H new ATOM 0 HG22 ILE A 37 31.820 12.743 20.472 1.00 25.00 H new ATOM 0 HG23 ILE A 37 32.313 13.900 19.213 1.00 25.00 H new ATOM 0 HD11 ILE A 37 35.736 12.127 17.198 1.00 25.00 H new ATOM 0 HD12 ILE A 37 35.274 10.967 18.467 1.00 25.00 H new ATOM 0 HD13 ILE A 37 34.017 11.791 17.514 1.00 25.00 H new ATOM 520 N HIS A 38 32.523 14.535 22.917 1.00 25.00 N ATOM 521 CA HIS A 38 31.754 14.395 24.150 1.00 25.00 C ATOM 522 C HIS A 38 30.399 15.093 24.071 1.00 25.00 C ATOM 523 O HIS A 38 30.318 16.313 24.207 1.00 25.00 O ATOM 524 CB HIS A 38 32.582 14.983 25.295 1.00 25.00 C ATOM 525 CG HIS A 38 31.899 14.954 26.628 1.00 25.00 C ATOM 526 ND1 HIS A 38 31.239 13.847 27.152 1.00 25.00 N ATOM 527 CD2 HIS A 38 31.766 15.915 27.576 1.00 25.00 C ATOM 528 CE1 HIS A 38 30.781 14.147 28.358 1.00 25.00 C ATOM 529 NE2 HIS A 38 31.071 15.397 28.627 1.00 25.00 N ATOM 0 H HIS A 38 32.339 15.402 22.412 1.00 25.00 H new ATOM 0 HA HIS A 38 31.551 13.337 24.317 1.00 25.00 H new ATOM 0 HB2 HIS A 38 33.520 14.433 25.369 1.00 25.00 H new ATOM 0 HB3 HIS A 38 32.835 16.015 25.052 1.00 25.00 H new ATOM 0 HD2 HIS A 38 32.148 16.923 27.509 1.00 25.00 H new ATOM 0 HE1 HIS A 38 30.253 13.471 29.014 1.00 25.00 H new ATOM 0 HE2 HIS A 38 30.819 15.897 29.479 1.00 25.00 H new ATOM 538 N PHE A 39 29.343 14.321 23.858 1.00 25.00 N ATOM 539 CA PHE A 39 27.979 14.842 23.817 1.00 25.00 C ATOM 540 C PHE A 39 27.069 13.919 24.622 1.00 25.00 C ATOM 541 O PHE A 39 27.335 12.719 24.701 1.00 25.00 O ATOM 542 CB PHE A 39 27.483 14.875 22.369 1.00 25.00 C ATOM 543 CG PHE A 39 28.362 15.667 21.440 1.00 25.00 C ATOM 544 CD1 PHE A 39 28.403 17.070 21.520 1.00 25.00 C ATOM 545 CD2 PHE A 39 29.143 15.016 20.469 1.00 25.00 C ATOM 546 CE1 PHE A 39 29.183 17.828 20.613 1.00 25.00 C ATOM 547 CE2 PHE A 39 29.936 15.758 19.560 1.00 25.00 C ATOM 548 CZ PHE A 39 29.944 17.168 19.624 1.00 25.00 C ATOM 0 H PHE A 39 29.405 13.314 23.708 1.00 25.00 H new ATOM 0 HA PHE A 39 27.965 15.849 24.235 1.00 25.00 H new ATOM 0 HB2 PHE A 39 27.407 13.853 21.998 1.00 25.00 H new ATOM 0 HB3 PHE A 39 26.478 15.296 22.349 1.00 25.00 H new ATOM 0 HD1 PHE A 39 27.832 17.577 22.284 1.00 25.00 H new ATOM 0 HD2 PHE A 39 29.138 13.937 20.416 1.00 25.00 H new ATOM 0 HE1 PHE A 39 29.196 18.906 20.678 1.00 25.00 H new ATOM 0 HE2 PHE A 39 30.533 15.246 18.820 1.00 25.00 H new ATOM 0 HZ PHE A 39 30.530 17.740 18.919 1.00 25.00 H new ATOM 558 N LYS A 40 25.982 14.441 25.176 1.00 25.00 N ATOM 559 CA LYS A 40 24.967 13.606 25.832 1.00 25.00 C ATOM 560 C LYS A 40 23.961 13.167 24.775 1.00 25.00 C ATOM 561 O LYS A 40 23.068 13.935 24.404 1.00 25.00 O ATOM 562 CB LYS A 40 24.243 14.370 26.947 1.00 25.00 C ATOM 563 CG LYS A 40 25.141 14.728 28.131 1.00 25.00 C ATOM 564 CD LYS A 40 24.362 15.306 29.314 1.00 25.00 C ATOM 565 CE LYS A 40 23.759 16.682 29.034 1.00 25.00 C ATOM 566 NZ LYS A 40 23.067 17.207 30.254 1.00 25.00 N ATOM 0 H LYS A 40 25.775 15.440 25.187 1.00 25.00 H new ATOM 0 HA LYS A 40 25.455 12.745 26.289 1.00 25.00 H new ATOM 0 HB2 LYS A 40 23.821 15.286 26.533 1.00 25.00 H new ATOM 0 HB3 LYS A 40 23.408 13.768 27.305 1.00 25.00 H new ATOM 0 HG2 LYS A 40 25.678 13.837 28.456 1.00 25.00 H new ATOM 0 HG3 LYS A 40 25.890 15.451 27.807 1.00 25.00 H new ATOM 0 HD2 LYS A 40 23.563 14.616 29.584 1.00 25.00 H new ATOM 0 HD3 LYS A 40 25.026 15.378 30.176 1.00 25.00 H new ATOM 0 HE2 LYS A 40 24.543 17.374 28.727 1.00 25.00 H new ATOM 0 HE3 LYS A 40 23.052 16.615 28.208 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 22.662 18.143 30.048 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 22.306 16.554 30.530 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 23.751 17.290 31.033 1.00 25.00 H new ATOM 580 N VAL A 41 24.124 11.956 24.272 1.00 25.00 N ATOM 581 CA VAL A 41 23.269 11.414 23.210 1.00 25.00 C ATOM 582 C VAL A 41 22.722 10.083 23.695 1.00 25.00 C ATOM 583 O VAL A 41 23.274 9.513 24.631 1.00 25.00 O ATOM 584 CB VAL A 41 24.052 11.234 21.874 1.00 25.00 C ATOM 585 CG1 VAL A 41 24.460 12.598 21.311 1.00 50.00 C ATOM 586 CG2 VAL A 41 25.309 10.357 22.055 1.00 50.00 C ATOM 0 H VAL A 41 24.852 11.313 24.583 1.00 25.00 H new ATOM 0 HA VAL A 41 22.457 12.111 23.001 1.00 25.00 H new ATOM 0 HB VAL A 41 23.385 10.729 21.175 1.00 25.00 H new ATOM 0 HG11 VAL A 41 25.006 12.458 20.378 1.00 50.00 H new ATOM 0 HG12 VAL A 41 23.568 13.196 21.123 1.00 50.00 H new ATOM 0 HG13 VAL A 41 25.097 13.113 22.030 1.00 50.00 H new ATOM 0 HG21 VAL A 41 25.824 10.258 21.100 1.00 50.00 H new ATOM 0 HG22 VAL A 41 25.976 10.823 22.780 1.00 50.00 H new ATOM 0 HG23 VAL A 41 25.016 9.370 22.413 1.00 50.00 H new ATOM 596 N LYS A 42 21.643 9.597 23.092 1.00 25.00 N ATOM 597 CA LYS A 42 21.005 8.341 23.505 1.00 25.00 C ATOM 598 C LYS A 42 21.963 7.152 23.416 1.00 25.00 C ATOM 599 O LYS A 42 23.000 7.238 22.757 1.00 25.00 O ATOM 600 CB LYS A 42 19.752 8.106 22.652 1.00 25.00 C ATOM 601 CG LYS A 42 20.015 7.797 21.185 1.00 25.00 C ATOM 602 CD LYS A 42 18.709 7.671 20.420 1.00 25.00 C ATOM 603 CE LYS A 42 18.911 7.083 19.028 1.00 25.00 C ATOM 604 NZ LYS A 42 19.761 7.919 18.119 1.00 25.00 N ATOM 0 H LYS A 42 21.183 10.056 22.306 1.00 25.00 H new ATOM 0 HA LYS A 42 20.719 8.429 24.553 1.00 25.00 H new ATOM 0 HB2 LYS A 42 19.187 7.281 23.085 1.00 25.00 H new ATOM 0 HB3 LYS A 42 19.120 8.992 22.712 1.00 25.00 H new ATOM 0 HG2 LYS A 42 20.625 8.586 20.746 1.00 25.00 H new ATOM 0 HG3 LYS A 42 20.583 6.871 21.100 1.00 25.00 H new ATOM 0 HD2 LYS A 42 18.020 7.041 20.982 1.00 25.00 H new ATOM 0 HD3 LYS A 42 18.244 8.653 20.334 1.00 25.00 H new ATOM 0 HE2 LYS A 42 19.366 6.097 19.126 1.00 25.00 H new ATOM 0 HE3 LYS A 42 17.936 6.939 18.563 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 19.848 7.449 17.195 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 19.320 8.852 17.992 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 20.706 8.037 18.538 1.00 25.00 H new ATOM 618 N MET A 43 21.622 6.051 24.072 1.00 25.00 N ATOM 619 CA MET A 43 22.517 4.891 24.148 1.00 25.00 C ATOM 620 C MET A 43 22.834 4.353 22.752 1.00 25.00 C ATOM 621 O MET A 43 22.001 4.431 21.841 1.00 25.00 O ATOM 622 CB MET A 43 21.898 3.783 25.006 1.00 25.00 C ATOM 623 CG MET A 43 21.615 4.186 26.450 1.00 25.00 C ATOM 624 SD MET A 43 23.079 4.706 27.373 1.00 25.00 S ATOM 625 CE MET A 43 24.036 3.179 27.555 1.00 25.00 C ATOM 0 H MET A 43 20.735 5.931 24.560 1.00 25.00 H new ATOM 0 HA MET A 43 23.446 5.219 24.614 1.00 25.00 H new ATOM 0 HB2 MET A 43 20.966 3.460 24.543 1.00 25.00 H new ATOM 0 HB3 MET A 43 22.568 2.924 25.006 1.00 25.00 H new ATOM 0 HG2 MET A 43 20.889 4.999 26.453 1.00 25.00 H new ATOM 0 HG3 MET A 43 21.153 3.345 26.967 1.00 25.00 H new ATOM 0 HE1 MET A 43 24.944 3.384 28.122 1.00 25.00 H new ATOM 0 HE2 MET A 43 23.439 2.436 28.083 1.00 25.00 H new ATOM 0 HE3 MET A 43 24.302 2.797 26.570 1.00 25.00 H new ATOM 635 N THR A 44 24.051 3.861 22.578 1.00 25.00 N ATOM 636 CA THR A 44 24.625 3.581 21.260 1.00 25.00 C ATOM 637 C THR A 44 24.833 2.091 21.015 1.00 25.00 C ATOM 638 O THR A 44 24.737 1.269 21.927 1.00 25.00 O ATOM 639 CB THR A 44 25.996 4.285 21.106 1.00 25.00 C ATOM 640 OG1 THR A 44 26.835 3.963 22.219 1.00 25.00 O ATOM 641 CG2 THR A 44 25.854 5.793 21.068 1.00 25.00 C ATOM 0 H THR A 44 24.678 3.641 23.352 1.00 25.00 H new ATOM 0 HA THR A 44 23.908 3.959 20.531 1.00 25.00 H new ATOM 0 HB THR A 44 26.428 3.937 20.168 1.00 25.00 H new ATOM 0 HG1 THR A 44 27.701 4.409 22.116 1.00 25.00 H new ATOM 0 HG21 THR A 44 26.838 6.249 20.959 1.00 25.00 H new ATOM 0 HG22 THR A 44 25.227 6.078 20.223 1.00 25.00 H new ATOM 0 HG23 THR A 44 25.395 6.139 21.994 1.00 25.00 H new ATOM 649 N THR A 45 25.105 1.753 19.765 1.00 25.00 N ATOM 650 CA THR A 45 25.280 0.367 19.333 1.00 25.00 C ATOM 651 C THR A 45 26.440 -0.363 20.025 1.00 25.00 C ATOM 652 O THR A 45 27.351 0.250 20.595 1.00 25.00 O ATOM 653 CB THR A 45 25.440 0.334 17.790 1.00 25.00 C ATOM 654 OG1 THR A 45 25.303 -1.003 17.307 1.00 25.00 O ATOM 655 CG2 THR A 45 26.770 0.886 17.315 1.00 25.00 C ATOM 0 H THR A 45 25.212 2.434 19.013 1.00 25.00 H new ATOM 0 HA THR A 45 24.386 -0.179 19.633 1.00 25.00 H new ATOM 0 HB THR A 45 24.653 0.974 17.392 1.00 25.00 H new ATOM 0 HG1 THR A 45 24.462 -1.087 16.811 1.00 25.00 H new ATOM 0 HG21 THR A 45 26.818 0.834 16.227 1.00 25.00 H new ATOM 0 HG22 THR A 45 26.868 1.924 17.634 1.00 25.00 H new ATOM 0 HG23 THR A 45 27.582 0.297 17.742 1.00 25.00 H new ATOM 663 N HIS A 46 26.393 -1.689 19.967 1.00 25.00 N ATOM 664 CA HIS A 46 27.428 -2.554 20.545 1.00 25.00 C ATOM 665 C HIS A 46 28.816 -2.254 19.970 1.00 25.00 C ATOM 666 O HIS A 46 28.960 -1.819 18.822 1.00 25.00 O ATOM 667 CB HIS A 46 27.055 -4.033 20.342 1.00 25.00 C ATOM 668 CG HIS A 46 27.010 -4.465 18.906 1.00 25.00 C ATOM 669 ND1 HIS A 46 25.887 -4.331 18.097 1.00 25.00 N ATOM 670 CD2 HIS A 46 27.935 -5.064 18.113 1.00 25.00 C ATOM 671 CE1 HIS A 46 26.153 -4.812 16.891 1.00 25.00 C ATOM 672 NE2 HIS A 46 27.387 -5.252 16.873 1.00 25.00 N ATOM 0 H HIS A 46 25.635 -2.202 19.517 1.00 25.00 H new ATOM 0 HA HIS A 46 27.477 -2.345 21.614 1.00 25.00 H new ATOM 0 HB2 HIS A 46 27.776 -4.654 20.874 1.00 25.00 H new ATOM 0 HB3 HIS A 46 26.081 -4.216 20.795 1.00 25.00 H new ATOM 0 HD2 HIS A 46 28.935 -5.345 18.410 1.00 25.00 H new ATOM 0 HE1 HIS A 46 25.465 -4.837 16.059 1.00 25.00 H new ATOM 0 HE2 HIS A 46 27.860 -5.665 16.069 1.00 25.00 H new ATOM 681 N LEU A 47 29.843 -2.475 20.779 1.00 25.00 N ATOM 682 CA LEU A 47 31.163 -1.881 20.565 1.00 25.00 C ATOM 683 C LEU A 47 31.829 -2.186 19.226 1.00 25.00 C ATOM 684 O LEU A 47 32.414 -1.291 18.637 1.00 25.00 O ATOM 685 CB LEU A 47 32.097 -2.284 21.715 1.00 25.00 C ATOM 686 CG LEU A 47 33.524 -1.706 21.750 1.00 25.00 C ATOM 687 CD1 LEU A 47 33.570 -0.176 21.755 1.00 50.00 C ATOM 688 CD2 LEU A 47 34.247 -2.233 22.987 1.00 50.00 C ATOM 0 H LEU A 47 29.788 -3.072 21.605 1.00 25.00 H new ATOM 0 HA LEU A 47 30.986 -0.806 20.543 1.00 25.00 H new ATOM 0 HB2 LEU A 47 31.607 -2.010 22.649 1.00 25.00 H new ATOM 0 HB3 LEU A 47 32.181 -3.371 21.706 1.00 25.00 H new ATOM 0 HG LEU A 47 34.015 -2.030 20.832 1.00 25.00 H new ATOM 0 HD11 LEU A 47 34.608 0.157 21.780 1.00 50.00 H new ATOM 0 HD12 LEU A 47 33.088 0.205 20.855 1.00 50.00 H new ATOM 0 HD13 LEU A 47 33.047 0.201 22.634 1.00 50.00 H new ATOM 0 HD21 LEU A 47 35.258 -1.827 23.018 1.00 50.00 H new ATOM 0 HD22 LEU A 47 33.706 -1.927 23.883 1.00 50.00 H new ATOM 0 HD23 LEU A 47 34.294 -3.321 22.945 1.00 50.00 H new ATOM 700 N LYS A 48 31.734 -3.386 18.673 1.00 25.00 N ATOM 701 CA LYS A 48 32.372 -3.615 17.369 1.00 25.00 C ATOM 702 C LYS A 48 31.697 -2.860 16.229 1.00 25.00 C ATOM 703 O LYS A 48 32.360 -2.478 15.276 1.00 25.00 O ATOM 704 CB LYS A 48 32.553 -5.103 17.056 1.00 25.00 C ATOM 705 CG LYS A 48 31.322 -5.957 16.886 1.00 25.00 C ATOM 706 CD LYS A 48 31.751 -7.412 16.763 1.00 25.00 C ATOM 707 CE LYS A 48 30.567 -8.366 16.742 1.00 25.00 C ATOM 708 NZ LYS A 48 31.027 -9.796 16.776 1.00 25.00 N ATOM 0 H LYS A 48 31.248 -4.187 19.076 1.00 25.00 H new ATOM 0 HA LYS A 48 33.373 -3.192 17.454 1.00 25.00 H new ATOM 0 HB2 LYS A 48 33.139 -5.180 16.140 1.00 25.00 H new ATOM 0 HB3 LYS A 48 33.152 -5.540 17.855 1.00 25.00 H new ATOM 0 HG2 LYS A 48 30.654 -5.831 17.738 1.00 25.00 H new ATOM 0 HG3 LYS A 48 30.769 -5.650 15.999 1.00 25.00 H new ATOM 0 HD2 LYS A 48 32.334 -7.540 15.851 1.00 25.00 H new ATOM 0 HD3 LYS A 48 32.405 -7.667 17.597 1.00 25.00 H new ATOM 0 HE2 LYS A 48 29.921 -8.168 17.597 1.00 25.00 H new ATOM 0 HE3 LYS A 48 29.972 -8.193 15.845 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 30.200 -10.427 16.761 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 31.625 -9.988 15.947 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 31.575 -9.964 17.644 1.00 25.00 H new ATOM 722 N LYS A 49 30.413 -2.553 16.339 1.00 25.00 N ATOM 723 CA LYS A 49 29.759 -1.725 15.321 1.00 25.00 C ATOM 724 C LYS A 49 30.058 -0.260 15.626 1.00 25.00 C ATOM 725 O LYS A 49 30.225 0.550 14.726 1.00 25.00 O ATOM 726 CB LYS A 49 28.261 -2.037 15.264 1.00 25.00 C ATOM 727 CG LYS A 49 27.529 -1.398 14.087 1.00 25.00 C ATOM 728 CD LYS A 49 26.092 -1.905 13.999 1.00 25.00 C ATOM 729 CE LYS A 49 25.324 -1.261 12.847 1.00 25.00 C ATOM 730 NZ LYS A 49 23.890 -1.717 12.828 1.00 25.00 N ATOM 0 H LYS A 49 29.809 -2.854 17.104 1.00 25.00 H new ATOM 0 HA LYS A 49 30.149 -1.947 14.328 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.129 -3.118 15.215 1.00 25.00 H new ATOM 0 HB3 LYS A 49 27.797 -1.701 16.191 1.00 25.00 H new ATOM 0 HG2 LYS A 49 27.530 -0.314 14.198 1.00 25.00 H new ATOM 0 HG3 LYS A 49 28.056 -1.624 13.160 1.00 25.00 H new ATOM 0 HD2 LYS A 49 26.097 -2.987 13.870 1.00 25.00 H new ATOM 0 HD3 LYS A 49 25.577 -1.698 14.937 1.00 25.00 H new ATOM 0 HE2 LYS A 49 25.362 -0.176 12.942 1.00 25.00 H new ATOM 0 HE3 LYS A 49 25.802 -1.515 11.901 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 23.392 -1.264 12.035 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 23.856 -2.750 12.713 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 23.430 -1.453 13.722 1.00 25.00 H new ATOM 744 N LEU A 50 30.235 0.063 16.897 1.00 25.00 N ATOM 745 CA LEU A 50 30.645 1.407 17.306 1.00 25.00 C ATOM 746 C LEU A 50 32.069 1.748 16.850 1.00 25.00 C ATOM 747 O LEU A 50 32.371 2.884 16.507 1.00 25.00 O ATOM 748 CB LEU A 50 30.527 1.531 18.828 1.00 25.00 C ATOM 749 CG LEU A 50 30.486 2.939 19.436 1.00 25.00 C ATOM 750 CD1 LEU A 50 29.235 3.702 18.999 1.00 50.00 C ATOM 751 CD2 LEU A 50 30.506 2.830 20.957 1.00 50.00 C ATOM 0 H LEU A 50 30.102 -0.588 17.671 1.00 25.00 H new ATOM 0 HA LEU A 50 29.981 2.122 16.821 1.00 25.00 H new ATOM 0 HB2 LEU A 50 29.622 1.008 19.136 1.00 25.00 H new ATOM 0 HB3 LEU A 50 31.369 1.000 19.272 1.00 25.00 H new ATOM 0 HG LEU A 50 31.358 3.489 19.083 1.00 25.00 H new ATOM 0 HD11 LEU A 50 29.239 4.695 19.448 1.00 50.00 H new ATOM 0 HD12 LEU A 50 29.226 3.795 17.913 1.00 50.00 H new ATOM 0 HD13 LEU A 50 28.347 3.160 19.324 1.00 50.00 H new ATOM 0 HD21 LEU A 50 30.477 3.828 21.394 1.00 50.00 H new ATOM 0 HD22 LEU A 50 29.638 2.262 21.292 1.00 50.00 H new ATOM 0 HD23 LEU A 50 31.417 2.322 21.273 1.00 50.00 H new ATOM 763 N LYS A 51 32.935 0.747 16.754 1.00 25.00 N ATOM 764 CA LYS A 51 34.266 0.926 16.162 1.00 25.00 C ATOM 765 C LYS A 51 34.187 1.229 14.673 1.00 25.00 C ATOM 766 O LYS A 51 34.967 2.034 14.166 1.00 25.00 O ATOM 767 CB LYS A 51 35.142 -0.302 16.417 1.00 25.00 C ATOM 768 CG LYS A 51 35.588 -0.427 17.877 1.00 25.00 C ATOM 769 CD LYS A 51 36.253 -1.764 18.199 1.00 25.00 C ATOM 770 CE LYS A 51 37.644 -1.908 17.587 1.00 25.00 C ATOM 771 NZ LYS A 51 38.291 -3.203 17.981 1.00 25.00 N ATOM 0 H LYS A 51 32.744 -0.201 17.078 1.00 25.00 H new ATOM 0 HA LYS A 51 34.725 1.788 16.647 1.00 25.00 H new ATOM 0 HB2 LYS A 51 34.592 -1.199 16.133 1.00 25.00 H new ATOM 0 HB3 LYS A 51 36.023 -0.252 15.777 1.00 25.00 H new ATOM 0 HG2 LYS A 51 36.284 0.380 18.106 1.00 25.00 H new ATOM 0 HG3 LYS A 51 34.722 -0.296 18.526 1.00 25.00 H new ATOM 0 HD2 LYS A 51 36.326 -1.875 19.281 1.00 25.00 H new ATOM 0 HD3 LYS A 51 35.619 -2.574 17.838 1.00 25.00 H new ATOM 0 HE2 LYS A 51 37.571 -1.853 16.501 1.00 25.00 H new ATOM 0 HE3 LYS A 51 38.271 -1.076 17.907 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 39.234 -3.266 17.547 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 38.383 -3.244 19.016 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 37.705 -3.997 17.653 1.00 25.00 H new ATOM 785 N GLU A 52 33.211 0.667 13.978 1.00 25.00 N ATOM 786 CA GLU A 52 32.977 1.055 12.587 1.00 25.00 C ATOM 787 C GLU A 52 32.436 2.484 12.530 1.00 25.00 C ATOM 788 O GLU A 52 32.787 3.244 11.630 1.00 25.00 O ATOM 789 CB GLU A 52 32.026 0.095 11.867 1.00 25.00 C ATOM 790 CG GLU A 52 32.600 -1.303 11.747 1.00 25.00 C ATOM 791 CD GLU A 52 31.765 -2.212 10.868 1.00 25.00 C ATOM 792 OE1 GLU A 52 30.863 -2.907 11.382 1.00 25.00 O ATOM 793 OE2 GLU A 52 32.023 -2.283 9.644 1.00 25.00 O ATOM 0 H GLU A 52 32.577 -0.045 14.340 1.00 25.00 H new ATOM 0 HA GLU A 52 33.934 1.005 12.067 1.00 25.00 H new ATOM 0 HB2 GLU A 52 31.080 0.052 12.407 1.00 25.00 H new ATOM 0 HB3 GLU A 52 31.808 0.482 10.872 1.00 25.00 H new ATOM 0 HG2 GLU A 52 33.610 -1.242 11.341 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.682 -1.743 12.741 1.00 25.00 H new ATOM 800 N SER A 53 31.647 2.888 13.517 1.00 25.00 N ATOM 801 CA SER A 53 31.184 4.274 13.601 1.00 25.00 C ATOM 802 C SER A 53 32.324 5.263 13.847 1.00 25.00 C ATOM 803 O SER A 53 32.293 6.373 13.324 1.00 25.00 O ATOM 804 CB SER A 53 30.143 4.442 14.711 1.00 25.00 C ATOM 805 OG SER A 53 29.170 3.413 14.640 1.00 25.00 O ATOM 0 H SER A 53 31.314 2.283 14.268 1.00 25.00 H new ATOM 0 HA SER A 53 30.737 4.497 12.632 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.634 4.420 15.684 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.659 5.415 14.620 1.00 25.00 H new ATOM 0 HG SER A 53 28.513 3.534 15.357 1.00 25.00 H new ATOM 811 N TYR A 54 33.356 4.872 14.590 1.00 25.00 N ATOM 812 CA TYR A 54 34.485 5.773 14.857 1.00 25.00 C ATOM 813 C TYR A 54 35.192 6.175 13.567 1.00 25.00 C ATOM 814 O TYR A 54 35.664 7.305 13.429 1.00 25.00 O ATOM 815 CB TYR A 54 35.559 5.141 15.763 1.00 25.00 C ATOM 816 CG TYR A 54 35.157 4.774 17.183 1.00 25.00 C ATOM 817 CD1 TYR A 54 34.188 5.508 17.897 1.00 25.00 C ATOM 818 CD2 TYR A 54 35.792 3.696 17.839 1.00 25.00 C ATOM 819 CE1 TYR A 54 33.812 5.130 19.217 1.00 25.00 C ATOM 820 CE2 TYR A 54 35.423 3.320 19.160 1.00 25.00 C ATOM 821 CZ TYR A 54 34.426 4.038 19.828 1.00 25.00 C ATOM 822 OH TYR A 54 34.052 3.681 21.096 1.00 25.00 O ATOM 0 H TYR A 54 33.439 3.949 15.016 1.00 25.00 H new ATOM 0 HA TYR A 54 34.041 6.634 15.355 1.00 25.00 H new ATOM 0 HB2 TYR A 54 35.922 4.238 15.273 1.00 25.00 H new ATOM 0 HB3 TYR A 54 36.399 5.833 15.820 1.00 25.00 H new ATOM 0 HD1 TYR A 54 33.725 6.368 17.437 1.00 25.00 H new ATOM 0 HD2 TYR A 54 36.571 3.148 17.329 1.00 25.00 H new ATOM 0 HE1 TYR A 54 33.052 5.688 19.744 1.00 25.00 H new ATOM 0 HE2 TYR A 54 35.909 2.486 19.644 1.00 25.00 H new ATOM 0 HH TYR A 54 34.848 3.601 21.662 1.00 25.00 H new ATOM 832 N CYS A 55 35.262 5.251 12.620 1.00 25.00 N ATOM 833 CA CYS A 55 36.037 5.465 11.406 1.00 25.00 C ATOM 834 C CYS A 55 35.252 5.946 10.187 1.00 25.00 C ATOM 835 O CYS A 55 35.860 6.181 9.146 1.00 25.00 O ATOM 836 CB CYS A 55 36.835 4.201 11.082 1.00 25.00 C ATOM 837 SG CYS A 55 35.882 2.674 11.020 1.00 25.00 S ATOM 0 H CYS A 55 34.792 4.347 12.668 1.00 25.00 H new ATOM 0 HA CYS A 55 36.702 6.300 11.629 1.00 25.00 H new ATOM 0 HB2 CYS A 55 37.327 4.340 10.120 1.00 25.00 H new ATOM 0 HB3 CYS A 55 37.621 4.088 11.829 1.00 25.00 H new ATOM 0 HG CYS A 55 34.633 2.931 11.272 1.00 25.00 H new ATOM 842 N GLN A 56 33.948 6.179 10.292 1.00 25.00 N ATOM 843 CA GLN A 56 33.193 6.676 9.132 1.00 25.00 C ATOM 844 C GLN A 56 33.716 8.021 8.626 1.00 25.00 C ATOM 845 O GLN A 56 33.886 8.207 7.421 1.00 25.00 O ATOM 846 CB GLN A 56 31.699 6.851 9.431 1.00 25.00 C ATOM 847 CG GLN A 56 30.927 5.597 9.806 1.00 25.00 C ATOM 848 CD GLN A 56 30.668 4.627 8.662 1.00 25.00 C ATOM 849 OE1 GLN A 56 31.061 4.829 7.512 1.00 25.00 O ATOM 850 NE2 GLN A 56 29.967 3.569 8.970 1.00 25.00 N ATOM 0 H GLN A 56 33.398 6.039 11.140 1.00 25.00 H new ATOM 0 HA GLN A 56 33.332 5.910 8.369 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.597 7.570 10.244 1.00 25.00 H new ATOM 0 HB3 GLN A 56 31.226 7.292 8.554 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.476 5.073 10.588 1.00 25.00 H new ATOM 0 HG3 GLN A 56 29.969 5.894 10.233 1.00 25.00 H new ATOM 0 HE21 GLN A 56 29.654 3.426 9.930 1.00 25.00 H new ATOM 0 HE22 GLN A 56 29.732 2.885 8.250 1.00 25.00 H new ATOM 859 N ARG A 57 34.019 8.955 9.523 1.00 25.00 N ATOM 860 CA ARG A 57 34.580 10.252 9.112 1.00 25.00 C ATOM 861 C ARG A 57 35.992 10.114 8.549 1.00 25.00 C ATOM 862 O ARG A 57 36.461 10.964 7.788 1.00 25.00 O ATOM 863 CB ARG A 57 34.554 11.269 10.271 1.00 25.00 C ATOM 864 CG ARG A 57 35.488 10.978 11.459 1.00 25.00 C ATOM 865 CD ARG A 57 35.487 12.095 12.505 1.00 25.00 C ATOM 866 NE ARG A 57 34.218 12.227 13.236 1.00 25.00 N ATOM 867 CZ ARG A 57 33.964 13.093 14.212 1.00 1.00 C ATOM 868 NH1 ARG A 57 34.809 13.995 14.639 1.00 25.00 N ATOM 869 NH2 ARG A 57 32.795 13.065 14.784 1.00 25.00 N ATOM 0 H ARG A 57 33.890 8.847 10.529 1.00 25.00 H new ATOM 0 HA ARG A 57 33.943 10.629 8.312 1.00 25.00 H new ATOM 0 HB2 ARG A 57 34.807 12.250 9.870 1.00 25.00 H new ATOM 0 HB3 ARG A 57 33.533 11.332 10.647 1.00 25.00 H new ATOM 0 HG2 ARG A 57 35.185 10.044 11.932 1.00 25.00 H new ATOM 0 HG3 ARG A 57 36.503 10.834 11.090 1.00 25.00 H new ATOM 0 HD2 ARG A 57 36.289 11.910 13.220 1.00 25.00 H new ATOM 0 HD3 ARG A 57 35.711 13.041 12.012 1.00 25.00 H new ATOM 0 HE ARG A 57 33.463 11.596 12.969 1.00 25.00 H new ATOM 0 HH11 ARG A 57 35.735 14.067 14.217 1.00 25.00 H new ATOM 0 HH12 ARG A 57 34.542 14.627 15.394 1.00 25.00 H new ATOM 0 HH21 ARG A 57 32.095 12.388 14.481 1.00 25.00 H new ATOM 0 HH22 ARG A 57 32.579 13.720 15.535 1.00 25.00 H new ATOM 883 N GLN A 58 36.677 9.053 8.949 1.00 25.00 N ATOM 884 CA GLN A 58 38.081 8.835 8.607 1.00 25.00 C ATOM 885 C GLN A 58 38.208 8.146 7.247 1.00 25.00 C ATOM 886 O GLN A 58 39.213 8.301 6.555 1.00 25.00 O ATOM 887 CB GLN A 58 38.738 7.967 9.689 1.00 25.00 C ATOM 888 CG GLN A 58 38.648 8.542 11.110 1.00 25.00 C ATOM 889 CD GLN A 58 39.217 7.617 12.171 1.00 25.00 C ATOM 890 OE1 GLN A 58 39.449 6.436 11.941 1.00 25.00 O ATOM 891 NE2 GLN A 58 39.424 8.138 13.348 1.00 25.00 N ATOM 0 H GLN A 58 36.275 8.313 9.524 1.00 25.00 H new ATOM 0 HA GLN A 58 38.582 9.801 8.551 1.00 25.00 H new ATOM 0 HB2 GLN A 58 38.271 6.982 9.679 1.00 25.00 H new ATOM 0 HB3 GLN A 58 39.788 7.825 9.434 1.00 25.00 H new ATOM 0 HG2 GLN A 58 39.180 9.493 11.144 1.00 25.00 H new ATOM 0 HG3 GLN A 58 37.604 8.752 11.344 1.00 25.00 H new ATOM 0 HE21 GLN A 58 39.222 9.124 13.512 1.00 25.00 H new ATOM 0 HE22 GLN A 58 39.788 7.559 14.105 1.00 25.00 H new ATOM 900 N GLY A 59 37.184 7.395 6.859 1.00 25.00 N ATOM 901 CA GLY A 59 37.160 6.732 5.564 1.00 25.00 C ATOM 902 C GLY A 59 37.977 5.455 5.485 1.00 25.00 C ATOM 903 O GLY A 59 38.320 5.004 4.388 1.00 25.00 O ATOM 0 H GLY A 59 36.354 7.230 7.429 1.00 25.00 H new ATOM 0 HA2 GLY A 59 36.126 6.501 5.310 1.00 25.00 H new ATOM 0 HA3 GLY A 59 37.526 7.428 4.809 1.00 25.00 H new ATOM 907 N VAL A 60 38.312 4.875 6.630 1.00 25.00 N ATOM 908 CA VAL A 60 39.175 3.689 6.697 1.00 25.00 C ATOM 909 C VAL A 60 38.410 2.553 7.374 1.00 25.00 C ATOM 910 O VAL A 60 37.461 2.827 8.110 1.00 25.00 O ATOM 911 CB VAL A 60 40.499 3.984 7.479 1.00 25.00 C ATOM 912 CG1 VAL A 60 41.298 5.093 6.785 1.00 50.00 C ATOM 913 CG2 VAL A 60 40.242 4.377 8.944 1.00 50.00 C ATOM 0 H VAL A 60 37.997 5.208 7.541 1.00 25.00 H new ATOM 0 HA VAL A 60 39.450 3.403 5.682 1.00 25.00 H new ATOM 0 HB VAL A 60 41.074 3.058 7.479 1.00 25.00 H new ATOM 0 HG11 VAL A 60 42.215 5.284 7.343 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.548 4.781 5.771 1.00 50.00 H new ATOM 0 HG13 VAL A 60 40.700 6.003 6.747 1.00 50.00 H new ATOM 0 HG21 VAL A 60 41.193 4.571 9.441 1.00 50.00 H new ATOM 0 HG22 VAL A 60 39.626 5.275 8.977 1.00 50.00 H new ATOM 0 HG23 VAL A 60 39.725 3.564 9.454 1.00 50.00 H new ATOM 923 N PRO A 61 38.779 1.283 7.128 1.00 25.00 N ATOM 924 CA PRO A 61 38.054 0.242 7.871 1.00 25.00 C ATOM 925 C PRO A 61 38.484 0.166 9.339 1.00 25.00 C ATOM 926 O PRO A 61 39.599 0.559 9.690 1.00 25.00 O ATOM 927 CB PRO A 61 38.447 -1.031 7.120 1.00 25.00 C ATOM 928 CG PRO A 61 39.821 -0.753 6.651 1.00 25.00 C ATOM 929 CD PRO A 61 39.789 0.689 6.230 1.00 25.00 C ATOM 0 HA PRO A 61 36.980 0.423 7.911 1.00 25.00 H new ATOM 0 HB2 PRO A 61 38.415 -1.905 7.770 1.00 25.00 H new ATOM 0 HB3 PRO A 61 37.772 -1.229 6.287 1.00 25.00 H new ATOM 0 HG2 PRO A 61 40.552 -0.920 7.442 1.00 25.00 H new ATOM 0 HG3 PRO A 61 40.096 -1.403 5.821 1.00 25.00 H new ATOM 0 HD2 PRO A 61 40.763 1.164 6.349 1.00 25.00 H new ATOM 0 HD3 PRO A 61 39.508 0.796 5.182 1.00 25.00 H new ATOM 937 N MET A 62 37.649 -0.396 10.206 1.00 25.00 N ATOM 938 CA MET A 62 38.005 -0.515 11.625 1.00 25.00 C ATOM 939 C MET A 62 39.185 -1.459 11.865 1.00 25.00 C ATOM 940 O MET A 62 39.848 -1.394 12.896 1.00 25.00 O ATOM 941 CB MET A 62 36.825 -0.949 12.504 1.00 25.00 C ATOM 942 CG MET A 62 36.381 -2.395 12.342 1.00 25.00 C ATOM 943 SD MET A 62 35.248 -2.872 13.656 1.00 25.00 S ATOM 944 CE MET A 62 34.889 -4.576 13.220 1.00 25.00 C ATOM 0 H MET A 62 36.733 -0.773 9.962 1.00 25.00 H new ATOM 0 HA MET A 62 38.301 0.493 11.917 1.00 25.00 H new ATOM 0 HB2 MET A 62 37.093 -0.785 13.548 1.00 25.00 H new ATOM 0 HB3 MET A 62 35.976 -0.301 12.287 1.00 25.00 H new ATOM 0 HG2 MET A 62 35.896 -2.524 11.374 1.00 25.00 H new ATOM 0 HG3 MET A 62 37.252 -3.050 12.352 1.00 25.00 H new ATOM 0 HE1 MET A 62 34.198 -5.000 13.948 1.00 25.00 H new ATOM 0 HE2 MET A 62 34.437 -4.610 12.229 1.00 25.00 H new ATOM 0 HE3 MET A 62 35.813 -5.154 13.218 1.00 25.00 H new ATOM 954 N ASN A 63 39.497 -2.306 10.891 1.00 25.00 N ATOM 955 CA ASN A 63 40.658 -3.197 10.990 1.00 25.00 C ATOM 956 C ASN A 63 41.970 -2.409 10.953 1.00 25.00 C ATOM 957 O ASN A 63 43.014 -2.930 11.330 1.00 25.00 O ATOM 958 CB ASN A 63 40.662 -4.236 9.858 1.00 25.00 C ATOM 959 CG ASN A 63 39.594 -5.297 10.015 1.00 25.00 C ATOM 960 OD1 ASN A 63 38.782 -5.275 10.937 1.00 25.00 O ATOM 961 ND2 ASN A 63 39.563 -6.226 9.103 1.00 25.00 N ATOM 0 H ASN A 63 38.967 -2.398 10.024 1.00 25.00 H new ATOM 0 HA ASN A 63 40.579 -3.712 11.947 1.00 25.00 H new ATOM 0 HB2 ASN A 63 40.520 -3.726 8.905 1.00 25.00 H new ATOM 0 HB3 ASN A 63 41.639 -4.717 9.819 1.00 25.00 H new ATOM 0 HD21 ASN A 63 38.853 -6.957 9.144 1.00 25.00 H new ATOM 0 HD22 ASN A 63 40.248 -6.222 8.348 1.00 25.00 H new ATOM 968 N SER A 64 41.926 -1.151 10.531 1.00 25.00 N ATOM 969 CA SER A 64 43.113 -0.295 10.501 1.00 25.00 C ATOM 970 C SER A 64 43.240 0.579 11.749 1.00 25.00 C ATOM 971 O SER A 64 44.167 1.386 11.854 1.00 25.00 O ATOM 972 CB SER A 64 43.078 0.585 9.253 1.00 25.00 C ATOM 973 OG SER A 64 43.011 -0.231 8.091 1.00 25.00 O ATOM 0 H SER A 64 41.075 -0.695 10.202 1.00 25.00 H new ATOM 0 HA SER A 64 43.985 -0.949 10.478 1.00 25.00 H new ATOM 0 HB2 SER A 64 42.216 1.252 9.291 1.00 25.00 H new ATOM 0 HB3 SER A 64 43.967 1.215 9.216 1.00 25.00 H new ATOM 0 HG SER A 64 42.987 0.337 7.293 1.00 25.00 H new ATOM 979 N LEU A 65 42.342 0.423 12.712 1.00 25.00 N ATOM 980 CA LEU A 65 42.415 1.165 13.972 1.00 25.00 C ATOM 981 C LEU A 65 42.430 0.167 15.115 1.00 25.00 C ATOM 982 O LEU A 65 42.117 -1.010 14.938 1.00 25.00 O ATOM 983 CB LEU A 65 41.276 2.196 14.109 1.00 25.00 C ATOM 984 CG LEU A 65 39.787 1.812 14.212 1.00 25.00 C ATOM 985 CD1 LEU A 65 39.345 1.115 15.509 1.00 50.00 C ATOM 986 CD2 LEU A 65 38.932 3.064 14.044 1.00 50.00 C ATOM 0 H LEU A 65 41.548 -0.214 12.648 1.00 25.00 H new ATOM 0 HA LEU A 65 43.334 1.751 13.994 1.00 25.00 H new ATOM 0 HB2 LEU A 65 41.502 2.787 14.997 1.00 25.00 H new ATOM 0 HB3 LEU A 65 41.362 2.863 13.252 1.00 25.00 H new ATOM 0 HG LEU A 65 39.646 1.078 13.418 1.00 25.00 H new ATOM 0 HD11 LEU A 65 38.278 0.897 15.459 1.00 50.00 H new ATOM 0 HD12 LEU A 65 39.900 0.185 15.630 1.00 50.00 H new ATOM 0 HD13 LEU A 65 39.542 1.768 16.359 1.00 50.00 H new ATOM 0 HD21 LEU A 65 37.878 2.797 14.116 1.00 50.00 H new ATOM 0 HD22 LEU A 65 39.179 3.781 14.827 1.00 50.00 H new ATOM 0 HD23 LEU A 65 39.127 3.510 13.069 1.00 50.00 H new ATOM 998 N ARG A 66 42.790 0.649 16.291 1.00 25.00 N ATOM 999 CA ARG A 66 42.788 -0.137 17.520 1.00 25.00 C ATOM 1000 C ARG A 66 42.169 0.809 18.532 1.00 25.00 C ATOM 1001 O ARG A 66 42.279 2.028 18.377 1.00 25.00 O ATOM 1002 CB ARG A 66 44.213 -0.563 17.900 1.00 25.00 C ATOM 1003 CG ARG A 66 45.275 0.494 17.627 1.00 25.00 C ATOM 1004 CD ARG A 66 46.617 0.160 18.245 1.00 25.00 C ATOM 1005 NE ARG A 66 47.612 1.179 17.883 1.00 25.00 N ATOM 1006 CZ ARG A 66 48.672 1.540 18.593 1.00 25.00 C ATOM 1007 NH1 ARG A 66 48.957 1.057 19.771 1.00 25.00 N ATOM 1008 NH2 ARG A 66 49.473 2.447 18.113 1.00 25.00 N ATOM 0 H ARG A 66 43.097 1.612 16.425 1.00 25.00 H new ATOM 0 HA ARG A 66 42.236 -1.074 17.444 1.00 25.00 H new ATOM 0 HB2 ARG A 66 44.234 -0.817 18.960 1.00 25.00 H new ATOM 0 HB3 ARG A 66 44.468 -1.469 17.350 1.00 25.00 H new ATOM 0 HG2 ARG A 66 45.396 0.609 16.550 1.00 25.00 H new ATOM 0 HG3 ARG A 66 44.932 1.454 18.014 1.00 25.00 H new ATOM 0 HD2 ARG A 66 46.522 0.104 19.329 1.00 25.00 H new ATOM 0 HD3 ARG A 66 46.949 -0.820 17.903 1.00 25.00 H new ATOM 0 HE ARG A 66 47.473 1.658 16.993 1.00 25.00 H new ATOM 0 HH11 ARG A 66 48.347 0.359 20.197 1.00 25.00 H new ATOM 0 HH12 ARG A 66 49.789 1.377 20.266 1.00 25.00 H new ATOM 0 HH21 ARG A 66 49.280 2.868 17.204 1.00 25.00 H new ATOM 0 HH22 ARG A 66 50.293 2.737 18.646 1.00 25.00 H new ATOM 1022 N PHE A 67 41.478 0.272 19.522 1.00 25.00 N ATOM 1023 CA PHE A 67 40.771 1.099 20.492 1.00 25.00 C ATOM 1024 C PHE A 67 41.308 0.773 21.876 1.00 25.00 C ATOM 1025 O PHE A 67 41.491 -0.399 22.230 1.00 25.00 O ATOM 1026 CB PHE A 67 39.264 0.854 20.368 1.00 25.00 C ATOM 1027 CG PHE A 67 38.421 1.765 21.223 1.00 25.00 C ATOM 1028 CD1 PHE A 67 38.571 3.164 21.154 1.00 25.00 C ATOM 1029 CD2 PHE A 67 37.447 1.226 22.078 1.00 25.00 C ATOM 1030 CE1 PHE A 67 37.759 4.022 21.937 1.00 25.00 C ATOM 1031 CE2 PHE A 67 36.625 2.070 22.870 1.00 25.00 C ATOM 1032 CZ PHE A 67 36.780 3.471 22.794 1.00 25.00 C ATOM 0 H PHE A 67 41.390 -0.732 19.678 1.00 25.00 H new ATOM 0 HA PHE A 67 40.935 2.161 20.307 1.00 25.00 H new ATOM 0 HB2 PHE A 67 38.971 0.978 19.325 1.00 25.00 H new ATOM 0 HB3 PHE A 67 39.051 -0.180 20.638 1.00 25.00 H new ATOM 0 HD1 PHE A 67 39.315 3.588 20.496 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.321 0.155 22.134 1.00 25.00 H new ATOM 0 HE1 PHE A 67 37.888 5.093 21.879 1.00 25.00 H new ATOM 0 HE2 PHE A 67 35.884 1.642 23.528 1.00 25.00 H new ATOM 0 HZ PHE A 67 36.153 4.119 23.388 1.00 25.00 H new ATOM 1042 N LEU A 68 41.624 1.816 22.625 1.00 25.00 N ATOM 1043 CA LEU A 68 42.257 1.691 23.928 1.00 25.00 C ATOM 1044 C LEU A 68 41.352 2.362 24.947 1.00 25.00 C ATOM 1045 O LEU A 68 40.727 3.384 24.666 1.00 25.00 O ATOM 1046 CB LEU A 68 43.646 2.352 23.953 1.00 25.00 C ATOM 1047 CG LEU A 68 44.859 1.631 23.331 1.00 25.00 C ATOM 1048 CD1 LEU A 68 44.820 1.451 21.811 1.00 50.00 C ATOM 1049 CD2 LEU A 68 46.141 2.358 23.722 1.00 50.00 C ATOM 0 H LEU A 68 41.447 2.781 22.344 1.00 25.00 H new ATOM 0 HA LEU A 68 42.398 0.635 24.159 1.00 25.00 H new ATOM 0 HB2 LEU A 68 43.554 3.317 23.455 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.890 2.553 24.996 1.00 25.00 H new ATOM 0 HG LEU A 68 44.824 0.620 23.738 1.00 25.00 H new ATOM 0 HD11 LEU A 68 45.721 0.933 21.483 1.00 50.00 H new ATOM 0 HD12 LEU A 68 43.944 0.864 21.537 1.00 50.00 H new ATOM 0 HD13 LEU A 68 44.767 2.428 21.330 1.00 50.00 H new ATOM 0 HD21 LEU A 68 46.998 1.847 23.282 1.00 50.00 H new ATOM 0 HD22 LEU A 68 46.103 3.384 23.357 1.00 50.00 H new ATOM 0 HD23 LEU A 68 46.240 2.363 24.807 1.00 50.00 H new ATOM 1061 N PHE A 69 41.303 1.788 26.137 1.00 25.00 N ATOM 1062 CA PHE A 69 40.526 2.325 27.245 1.00 25.00 C ATOM 1063 C PHE A 69 41.441 2.105 28.441 1.00 25.00 C ATOM 1064 O PHE A 69 42.136 1.091 28.485 1.00 25.00 O ATOM 1065 CB PHE A 69 39.205 1.564 27.375 1.00 25.00 C ATOM 1066 CG PHE A 69 38.180 2.260 28.229 1.00 25.00 C ATOM 1067 CD1 PHE A 69 38.295 2.276 29.629 1.00 25.00 C ATOM 1068 CD2 PHE A 69 37.081 2.897 27.626 1.00 25.00 C ATOM 1069 CE1 PHE A 69 37.348 2.961 30.424 1.00 25.00 C ATOM 1070 CE2 PHE A 69 36.109 3.570 28.413 1.00 25.00 C ATOM 1071 CZ PHE A 69 36.255 3.616 29.816 1.00 25.00 C ATOM 0 H PHE A 69 41.805 0.930 26.365 1.00 25.00 H new ATOM 0 HA PHE A 69 40.245 3.372 27.131 1.00 25.00 H new ATOM 0 HB2 PHE A 69 38.788 1.407 26.380 1.00 25.00 H new ATOM 0 HB3 PHE A 69 39.405 0.579 27.796 1.00 25.00 H new ATOM 0 HD1 PHE A 69 39.116 1.759 30.103 1.00 25.00 H new ATOM 0 HD2 PHE A 69 36.975 2.874 26.551 1.00 25.00 H new ATOM 0 HE1 PHE A 69 37.461 2.983 31.498 1.00 25.00 H new ATOM 0 HE2 PHE A 69 35.262 4.044 27.940 1.00 25.00 H new ATOM 0 HZ PHE A 69 35.536 4.149 30.420 1.00 25.00 H new ATOM 1081 N GLU A 70 41.520 3.078 29.340 1.00 25.00 N ATOM 1082 CA GLU A 70 42.474 3.097 30.457 1.00 25.00 C ATOM 1083 C GLU A 70 43.927 3.017 29.959 1.00 25.00 C ATOM 1084 O GLU A 70 44.831 2.548 30.653 1.00 25.00 O ATOM 1085 CB GLU A 70 42.153 1.986 31.466 1.00 25.00 C ATOM 1086 CG GLU A 70 42.614 2.249 32.893 1.00 25.00 C ATOM 1087 CD GLU A 70 42.518 1.000 33.736 1.00 25.00 C ATOM 1088 OE1 GLU A 70 41.430 0.391 33.799 1.00 25.00 O ATOM 1089 OE2 GLU A 70 43.542 0.576 34.320 1.00 25.00 O ATOM 0 H GLU A 70 40.912 3.897 29.318 1.00 25.00 H new ATOM 0 HA GLU A 70 42.370 4.051 30.973 1.00 25.00 H new ATOM 0 HB2 GLU A 70 41.075 1.826 31.474 1.00 25.00 H new ATOM 0 HB3 GLU A 70 42.611 1.060 31.119 1.00 25.00 H new ATOM 0 HG2 GLU A 70 43.643 2.608 32.885 1.00 25.00 H new ATOM 0 HG3 GLU A 70 42.005 3.037 33.335 1.00 25.00 H new ATOM 1096 N GLY A 71 44.150 3.456 28.726 1.00 25.00 N ATOM 1097 CA GLY A 71 45.474 3.383 28.126 1.00 25.00 C ATOM 1098 C GLY A 71 45.940 1.990 27.729 1.00 25.00 C ATOM 1099 O GLY A 71 47.131 1.783 27.478 1.00 25.00 O ATOM 0 H GLY A 71 43.434 3.864 28.125 1.00 25.00 H new ATOM 0 HA2 GLY A 71 45.487 4.017 27.240 1.00 25.00 H new ATOM 0 HA3 GLY A 71 46.195 3.801 28.828 1.00 25.00 H new ATOM 1103 N GLN A 72 45.034 1.023 27.678 1.00 25.00 N ATOM 1104 CA GLN A 72 45.364 -0.353 27.302 1.00 25.00 C ATOM 1105 C GLN A 72 44.425 -0.785 26.190 1.00 25.00 C ATOM 1106 O GLN A 72 43.271 -0.363 26.170 1.00 25.00 O ATOM 1107 CB GLN A 72 45.182 -1.298 28.494 1.00 25.00 C ATOM 1108 CG GLN A 72 46.062 -0.973 29.684 1.00 25.00 C ATOM 1109 CD GLN A 72 45.947 -1.996 30.792 1.00 25.00 C ATOM 1110 OE1 GLN A 72 44.870 -2.260 31.325 1.00 25.00 O ATOM 1111 NE2 GLN A 72 47.052 -2.592 31.145 1.00 25.00 N ATOM 0 H GLN A 72 44.048 1.166 27.896 1.00 25.00 H new ATOM 0 HA GLN A 72 46.403 -0.394 26.976 1.00 25.00 H new ATOM 0 HB2 GLN A 72 44.139 -1.270 28.809 1.00 25.00 H new ATOM 0 HB3 GLN A 72 45.390 -2.318 28.170 1.00 25.00 H new ATOM 0 HG2 GLN A 72 47.100 -0.913 29.357 1.00 25.00 H new ATOM 0 HG3 GLN A 72 45.792 0.009 30.072 1.00 25.00 H new ATOM 0 HE21 GLN A 72 47.930 -2.352 30.685 1.00 25.00 H new ATOM 0 HE22 GLN A 72 47.038 -3.298 31.881 1.00 25.00 H new ATOM 1120 N ARG A 73 44.900 -1.606 25.263 1.00 25.00 N ATOM 1121 CA ARG A 73 44.062 -2.078 24.157 1.00 25.00 C ATOM 1122 C ARG A 73 42.948 -2.933 24.742 1.00 25.00 C ATOM 1123 O ARG A 73 43.191 -3.689 25.694 1.00 25.00 O ATOM 1124 CB ARG A 73 44.909 -2.887 23.168 1.00 25.00 C ATOM 1125 CG ARG A 73 44.222 -3.190 21.839 1.00 25.00 C ATOM 1126 CD ARG A 73 45.096 -4.085 20.970 1.00 25.00 C ATOM 1127 NE ARG A 73 44.473 -4.329 19.659 1.00 25.00 N ATOM 1128 CZ ARG A 73 44.992 -4.049 18.469 1.00 25.00 C ATOM 1129 NH1 ARG A 73 46.206 -3.598 18.283 1.00 25.00 N ATOM 1130 NH2 ARG A 73 44.251 -4.213 17.411 1.00 25.00 N ATOM 0 H ARG A 73 45.856 -1.961 25.250 1.00 25.00 H new ATOM 0 HA ARG A 73 43.632 -1.236 23.615 1.00 25.00 H new ATOM 0 HB2 ARG A 73 45.831 -2.341 22.969 1.00 25.00 H new ATOM 0 HB3 ARG A 73 45.192 -3.829 23.638 1.00 25.00 H new ATOM 0 HG2 ARG A 73 43.264 -3.677 22.022 1.00 25.00 H new ATOM 0 HG3 ARG A 73 44.011 -2.259 21.313 1.00 25.00 H new ATOM 0 HD2 ARG A 73 46.072 -3.620 20.831 1.00 25.00 H new ATOM 0 HD3 ARG A 73 45.265 -5.035 21.477 1.00 25.00 H new ATOM 0 HE ARG A 73 43.547 -4.757 19.665 1.00 25.00 H new ATOM 0 HH11 ARG A 73 46.820 -3.440 19.082 1.00 25.00 H new ATOM 0 HH12 ARG A 73 46.539 -3.404 17.339 1.00 25.00 H new ATOM 0 HH21 ARG A 73 43.293 -4.550 17.507 1.00 25.00 H new ATOM 0 HH22 ARG A 73 44.628 -4.004 16.487 1.00 25.00 H new ATOM 1144 N ILE A 74 41.748 -2.812 24.194 1.00 25.00 N ATOM 1145 CA ILE A 74 40.624 -3.647 24.614 1.00 25.00 C ATOM 1146 C ILE A 74 40.015 -4.396 23.434 1.00 25.00 C ATOM 1147 O ILE A 74 40.131 -3.987 22.270 1.00 25.00 O ATOM 1148 CB ILE A 74 39.517 -2.835 25.359 1.00 25.00 C ATOM 1149 CG1 ILE A 74 38.904 -1.728 24.477 1.00 25.00 C ATOM 1150 CG2 ILE A 74 40.078 -2.252 26.666 1.00 25.00 C ATOM 1151 CD1 ILE A 74 37.576 -1.167 25.009 1.00 25.00 C ATOM 0 H ILE A 74 41.524 -2.144 23.456 1.00 25.00 H new ATOM 0 HA ILE A 74 41.033 -4.371 25.319 1.00 25.00 H new ATOM 0 HB ILE A 74 38.708 -3.526 25.597 1.00 25.00 H new ATOM 0 HG12 ILE A 74 39.621 -0.912 24.386 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.743 -2.124 23.474 1.00 25.00 H new ATOM 0 HG21 ILE A 74 39.298 -1.688 27.177 1.00 25.00 H new ATOM 0 HG22 ILE A 74 40.420 -3.063 27.309 1.00 25.00 H new ATOM 0 HG23 ILE A 74 40.915 -1.591 26.440 1.00 25.00 H new ATOM 0 HD11 ILE A 74 37.211 -0.394 24.333 1.00 25.00 H new ATOM 0 HD12 ILE A 74 36.842 -1.970 25.073 1.00 25.00 H new ATOM 0 HD13 ILE A 74 37.733 -0.739 25.999 1.00 25.00 H new ATOM 1163 N ALA A 75 39.360 -5.497 23.772 1.00 25.00 N ATOM 1164 CA ALA A 75 38.599 -6.317 22.841 1.00 25.00 C ATOM 1165 C ALA A 75 37.255 -5.645 22.534 1.00 25.00 C ATOM 1166 O ALA A 75 36.895 -4.623 23.128 1.00 25.00 O ATOM 1167 CB ALA A 75 38.393 -7.696 23.459 1.00 25.00 C ATOM 0 H ALA A 75 39.343 -5.854 24.727 1.00 25.00 H new ATOM 0 HA ALA A 75 39.142 -6.425 21.902 1.00 25.00 H new ATOM 0 HB1 ALA A 75 37.824 -8.321 22.771 1.00 25.00 H new ATOM 0 HB2 ALA A 75 39.362 -8.157 23.651 1.00 25.00 H new ATOM 0 HB3 ALA A 75 37.846 -7.597 24.397 1.00 25.00 H new ATOM 1173 N ASP A 76 36.520 -6.199 21.583 1.00 25.00 N ATOM 1174 CA ASP A 76 35.345 -5.527 21.024 1.00 25.00 C ATOM 1175 C ASP A 76 33.966 -5.964 21.532 1.00 25.00 C ATOM 1176 O ASP A 76 32.951 -5.645 20.915 1.00 25.00 O ATOM 1177 CB ASP A 76 35.420 -5.571 19.494 1.00 25.00 C ATOM 1178 CG ASP A 76 35.087 -6.941 18.884 1.00 25.00 C ATOM 1179 OD1 ASP A 76 34.635 -7.896 19.558 1.00 25.00 O ATOM 1180 OD2 ASP A 76 35.302 -7.065 17.659 1.00 25.00 O ATOM 0 H ASP A 76 36.713 -7.115 21.177 1.00 25.00 H new ATOM 0 HA ASP A 76 35.409 -4.506 21.401 1.00 25.00 H new ATOM 0 HB2 ASP A 76 34.734 -4.829 19.087 1.00 25.00 H new ATOM 0 HB3 ASP A 76 36.424 -5.282 19.183 1.00 25.00 H new ATOM 1185 N ASN A 77 33.908 -6.677 22.652 1.00 25.00 N ATOM 1186 CA ASN A 77 32.636 -7.167 23.200 1.00 25.00 C ATOM 1187 C ASN A 77 32.318 -6.578 24.582 1.00 25.00 C ATOM 1188 O ASN A 77 31.521 -7.131 25.335 1.00 25.00 O ATOM 1189 CB ASN A 77 32.660 -8.705 23.255 1.00 25.00 C ATOM 1190 CG ASN A 77 31.294 -9.308 23.484 1.00 25.00 C ATOM 1191 OD1 ASN A 77 30.292 -8.869 22.924 1.00 25.00 O ATOM 1192 ND2 ASN A 77 31.238 -10.311 24.315 1.00 25.00 N ATOM 0 H ASN A 77 34.727 -6.932 23.204 1.00 25.00 H new ATOM 0 HA ASN A 77 31.839 -6.834 22.535 1.00 25.00 H new ATOM 0 HB2 ASN A 77 33.069 -9.090 22.321 1.00 25.00 H new ATOM 0 HB3 ASN A 77 33.331 -9.024 24.053 1.00 25.00 H new ATOM 0 HD21 ASN A 77 30.343 -10.756 24.517 1.00 25.00 H new ATOM 0 HD22 ASN A 77 32.089 -10.651 24.763 1.00 25.00 H new ATOM 1199 N HIS A 78 32.947 -5.472 24.951 1.00 25.00 N ATOM 1200 CA HIS A 78 32.635 -4.833 26.234 1.00 25.00 C ATOM 1201 C HIS A 78 31.387 -3.951 26.144 1.00 25.00 C ATOM 1202 O HIS A 78 31.223 -3.182 25.190 1.00 25.00 O ATOM 1203 CB HIS A 78 33.801 -3.962 26.707 1.00 25.00 C ATOM 1204 CG HIS A 78 35.044 -4.733 27.022 1.00 25.00 C ATOM 1205 ND1 HIS A 78 35.134 -5.688 28.007 1.00 25.00 N ATOM 1206 CD2 HIS A 78 36.286 -4.679 26.473 1.00 25.00 C ATOM 1207 CE1 HIS A 78 36.388 -6.138 28.041 1.00 25.00 C ATOM 1208 NE2 HIS A 78 37.138 -5.531 27.145 1.00 25.00 N ATOM 0 H HIS A 78 33.663 -5.001 24.398 1.00 25.00 H new ATOM 0 HA HIS A 78 32.454 -5.640 26.944 1.00 25.00 H new ATOM 0 HB2 HIS A 78 34.028 -3.225 25.936 1.00 25.00 H new ATOM 0 HB3 HIS A 78 33.493 -3.410 27.595 1.00 25.00 H new ATOM 0 HD1 HIS A 78 34.371 -5.999 28.609 1.00 25.00 H new ATOM 0 HD2 HIS A 78 36.565 -4.060 25.633 1.00 25.00 H new ATOM 0 HE1 HIS A 78 36.743 -6.902 28.716 1.00 25.00 H new ATOM 1216 N THR A 79 30.522 -4.019 27.146 1.00 25.00 N ATOM 1217 CA THR A 79 29.432 -3.049 27.296 1.00 25.00 C ATOM 1218 C THR A 79 30.016 -1.799 27.957 1.00 25.00 C ATOM 1219 O THR A 79 31.084 -1.884 28.580 1.00 25.00 O ATOM 1220 CB THR A 79 28.342 -3.578 28.254 1.00 25.00 C ATOM 1221 OG1 THR A 79 28.929 -3.774 29.541 1.00 25.00 O ATOM 1222 CG2 THR A 79 27.753 -4.895 27.788 1.00 25.00 C ATOM 0 H THR A 79 30.549 -4.735 27.872 1.00 25.00 H new ATOM 0 HA THR A 79 28.999 -2.856 26.314 1.00 25.00 H new ATOM 0 HB THR A 79 27.537 -2.844 28.283 1.00 25.00 H new ATOM 0 HG1 THR A 79 28.250 -4.109 30.163 1.00 25.00 H new ATOM 0 HG21 THR A 79 26.992 -5.224 28.496 1.00 25.00 H new ATOM 0 HG22 THR A 79 27.302 -4.764 26.804 1.00 25.00 H new ATOM 0 HG23 THR A 79 28.541 -5.645 27.728 1.00 25.00 H new ATOM 1230 N PRO A 80 29.324 -0.642 27.913 1.00 25.00 N ATOM 1231 CA PRO A 80 29.934 0.439 28.701 1.00 25.00 C ATOM 1232 C PRO A 80 29.916 0.195 30.215 1.00 25.00 C ATOM 1233 O PRO A 80 30.795 0.690 30.925 1.00 25.00 O ATOM 1234 CB PRO A 80 29.104 1.663 28.299 1.00 25.00 C ATOM 1235 CG PRO A 80 27.767 1.104 27.978 1.00 25.00 C ATOM 1236 CD PRO A 80 28.088 -0.180 27.249 1.00 25.00 C ATOM 0 HA PRO A 80 30.999 0.544 28.493 1.00 25.00 H new ATOM 0 HB2 PRO A 80 29.048 2.390 29.109 1.00 25.00 H new ATOM 0 HB3 PRO A 80 29.539 2.175 27.440 1.00 25.00 H new ATOM 0 HG2 PRO A 80 27.182 0.919 28.879 1.00 25.00 H new ATOM 0 HG3 PRO A 80 27.186 1.785 27.356 1.00 25.00 H new ATOM 0 HD2 PRO A 80 27.283 -0.909 27.343 1.00 25.00 H new ATOM 0 HD3 PRO A 80 28.242 -0.011 26.183 1.00 25.00 H new ATOM 1244 N LYS A 81 28.991 -0.622 30.711 1.00 25.00 N ATOM 1245 CA LYS A 81 28.951 -0.994 32.132 1.00 25.00 C ATOM 1246 C LYS A 81 30.212 -1.736 32.576 1.00 25.00 C ATOM 1247 O LYS A 81 30.700 -1.524 33.686 1.00 25.00 O ATOM 1248 CB LYS A 81 27.716 -1.864 32.389 1.00 25.00 C ATOM 1249 CG LYS A 81 27.432 -2.171 33.858 1.00 25.00 C ATOM 1250 CD LYS A 81 26.238 -3.107 33.993 1.00 25.00 C ATOM 1251 CE LYS A 81 25.974 -3.456 35.453 1.00 25.00 C ATOM 1252 NZ LYS A 81 24.868 -4.458 35.573 1.00 25.00 N ATOM 0 H LYS A 81 28.252 -1.044 30.149 1.00 25.00 H new ATOM 0 HA LYS A 81 28.898 -0.075 32.716 1.00 25.00 H new ATOM 0 HB2 LYS A 81 26.845 -1.366 31.963 1.00 25.00 H new ATOM 0 HB3 LYS A 81 27.837 -2.806 31.854 1.00 25.00 H new ATOM 0 HG2 LYS A 81 28.310 -2.626 34.316 1.00 25.00 H new ATOM 0 HG3 LYS A 81 27.236 -1.244 34.397 1.00 25.00 H new ATOM 0 HD2 LYS A 81 25.354 -2.637 33.563 1.00 25.00 H new ATOM 0 HD3 LYS A 81 26.422 -4.019 33.426 1.00 25.00 H new ATOM 0 HE2 LYS A 81 26.882 -3.855 35.905 1.00 25.00 H new ATOM 0 HE3 LYS A 81 25.713 -2.553 36.005 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 24.707 -4.679 36.576 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 23.997 -4.065 35.161 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 25.130 -5.327 35.065 1.00 25.00 H new ATOM 1266 N GLU A 82 30.773 -2.562 31.705 1.00 25.00 N ATOM 1267 CA GLU A 82 32.020 -3.271 32.010 1.00 25.00 C ATOM 1268 C GLU A 82 33.200 -2.317 32.109 1.00 25.00 C ATOM 1269 O GLU A 82 34.149 -2.543 32.869 1.00 25.00 O ATOM 1270 CB GLU A 82 32.359 -4.263 30.896 1.00 25.00 C ATOM 1271 CG GLU A 82 31.498 -5.497 30.885 1.00 25.00 C ATOM 1272 CD GLU A 82 31.748 -6.329 29.652 1.00 25.00 C ATOM 1273 OE1 GLU A 82 32.899 -6.756 29.421 1.00 25.00 O ATOM 1274 OE2 GLU A 82 30.796 -6.546 28.871 1.00 25.00 O ATOM 0 H GLU A 82 30.390 -2.762 30.781 1.00 25.00 H new ATOM 0 HA GLU A 82 31.859 -3.776 32.962 1.00 25.00 H new ATOM 0 HB2 GLU A 82 32.264 -3.759 29.934 1.00 25.00 H new ATOM 0 HB3 GLU A 82 33.402 -4.562 30.997 1.00 25.00 H new ATOM 0 HG2 GLU A 82 31.701 -6.092 31.775 1.00 25.00 H new ATOM 0 HG3 GLU A 82 30.447 -5.210 30.926 1.00 25.00 H new ATOM 1281 N LEU A 83 33.153 -1.256 31.318 1.00 25.00 N ATOM 1282 CA LEU A 83 34.249 -0.294 31.262 1.00 25.00 C ATOM 1283 C LEU A 83 34.262 0.574 32.520 1.00 25.00 C ATOM 1284 O LEU A 83 35.331 0.945 32.994 1.00 25.00 O ATOM 1285 CB LEU A 83 34.156 0.546 29.982 1.00 25.00 C ATOM 1286 CG LEU A 83 34.249 -0.237 28.659 1.00 25.00 C ATOM 1287 CD1 LEU A 83 33.922 0.657 27.466 1.00 50.00 C ATOM 1288 CD2 LEU A 83 35.628 -0.869 28.450 1.00 50.00 C ATOM 0 H LEU A 83 32.368 -1.037 30.705 1.00 25.00 H new ATOM 0 HA LEU A 83 35.196 -0.832 31.230 1.00 25.00 H new ATOM 0 HB2 LEU A 83 33.212 1.090 29.995 1.00 25.00 H new ATOM 0 HB3 LEU A 83 34.953 1.290 29.999 1.00 25.00 H new ATOM 0 HG LEU A 83 33.513 -1.038 28.729 1.00 25.00 H new ATOM 0 HD11 LEU A 83 33.996 0.077 26.546 1.00 50.00 H new ATOM 0 HD12 LEU A 83 32.909 1.046 27.570 1.00 50.00 H new ATOM 0 HD13 LEU A 83 34.627 1.487 27.429 1.00 50.00 H new ATOM 0 HD21 LEU A 83 35.641 -1.409 27.503 1.00 50.00 H new ATOM 0 HD22 LEU A 83 36.388 -0.087 28.432 1.00 50.00 H new ATOM 0 HD23 LEU A 83 35.839 -1.561 29.266 1.00 50.00 H new ATOM 1300 N GLY A 84 33.097 0.796 33.116 1.00 25.00 N ATOM 1301 CA GLY A 84 33.014 1.257 34.498 1.00 25.00 C ATOM 1302 C GLY A 84 33.513 2.646 34.863 1.00 25.00 C ATOM 1303 O GLY A 84 34.000 2.837 35.980 1.00 25.00 O ATOM 0 H GLY A 84 32.193 0.664 32.663 1.00 25.00 H new ATOM 0 HA2 GLY A 84 31.968 1.198 34.798 1.00 25.00 H new ATOM 0 HA3 GLY A 84 33.562 0.543 35.112 1.00 25.00 H new ATOM 1307 N MET A 85 33.424 3.610 33.955 1.00 25.00 N ATOM 1308 CA MET A 85 33.927 4.969 34.212 1.00 25.00 C ATOM 1309 C MET A 85 32.935 6.085 33.902 1.00 25.00 C ATOM 1310 O MET A 85 33.123 7.217 34.345 1.00 25.00 O ATOM 1311 CB MET A 85 35.213 5.226 33.417 1.00 25.00 C ATOM 1312 CG MET A 85 36.355 4.269 33.743 1.00 25.00 C ATOM 1313 SD MET A 85 36.906 4.290 35.465 1.00 25.00 S ATOM 1314 CE MET A 85 37.680 5.877 35.599 1.00 25.00 C ATOM 0 H MET A 85 33.009 3.484 33.032 1.00 25.00 H new ATOM 0 HA MET A 85 34.111 4.998 35.286 1.00 25.00 H new ATOM 0 HB2 MET A 85 34.988 5.156 32.353 1.00 25.00 H new ATOM 0 HB3 MET A 85 35.545 6.247 33.606 1.00 25.00 H new ATOM 0 HG2 MET A 85 36.043 3.256 33.490 1.00 25.00 H new ATOM 0 HG3 MET A 85 37.204 4.510 33.103 1.00 25.00 H new ATOM 0 HE1 MET A 85 38.123 5.983 36.589 1.00 25.00 H new ATOM 0 HE2 MET A 85 38.459 5.967 34.842 1.00 25.00 H new ATOM 0 HE3 MET A 85 36.936 6.659 35.448 1.00 25.00 H new ATOM 1324 N GLU A 86 31.893 5.751 33.150 1.00 25.00 N ATOM 1325 CA GLU A 86 30.792 6.632 32.724 1.00 25.00 C ATOM 1326 C GLU A 86 31.104 7.876 31.883 1.00 25.00 C ATOM 1327 O GLU A 86 30.358 8.147 30.954 1.00 25.00 O ATOM 1328 CB GLU A 86 29.905 7.032 33.910 1.00 25.00 C ATOM 1329 CG GLU A 86 29.239 5.852 34.608 1.00 25.00 C ATOM 1330 CD GLU A 86 28.258 6.290 35.680 1.00 25.00 C ATOM 1331 OE1 GLU A 86 28.665 6.987 36.639 1.00 25.00 O ATOM 1332 OE2 GLU A 86 27.059 5.931 35.601 1.00 25.00 O ATOM 0 H GLU A 86 31.779 4.801 32.795 1.00 25.00 H new ATOM 0 HA GLU A 86 30.279 5.980 32.017 1.00 25.00 H new ATOM 0 HB2 GLU A 86 30.509 7.577 34.635 1.00 25.00 H new ATOM 0 HB3 GLU A 86 29.133 7.717 33.559 1.00 25.00 H new ATOM 0 HG2 GLU A 86 28.717 5.244 33.869 1.00 25.00 H new ATOM 0 HG3 GLU A 86 30.005 5.220 35.057 1.00 25.00 H new ATOM 1339 N GLU A 87 32.168 8.620 32.146 1.00 25.00 N ATOM 1340 CA GLU A 87 32.518 9.793 31.337 1.00 25.00 C ATOM 1341 C GLU A 87 33.977 9.816 30.884 1.00 25.00 C ATOM 1342 O GLU A 87 34.243 9.881 29.683 1.00 25.00 O ATOM 1343 CB GLU A 87 32.166 11.078 32.098 1.00 25.00 C ATOM 1344 CG GLU A 87 32.243 12.351 31.265 1.00 25.00 C ATOM 1345 CD GLU A 87 31.648 13.545 31.992 1.00 25.00 C ATOM 1346 OE1 GLU A 87 32.144 13.928 33.075 1.00 25.00 O ATOM 1347 OE2 GLU A 87 30.645 14.114 31.508 1.00 25.00 O ATOM 0 H GLU A 87 32.811 8.436 32.916 1.00 25.00 H new ATOM 0 HA GLU A 87 31.926 9.728 30.424 1.00 25.00 H new ATOM 0 HB2 GLU A 87 31.157 10.982 32.498 1.00 25.00 H new ATOM 0 HB3 GLU A 87 32.839 11.176 32.950 1.00 25.00 H new ATOM 0 HG2 GLU A 87 33.284 12.559 31.017 1.00 25.00 H new ATOM 0 HG3 GLU A 87 31.715 12.200 30.323 1.00 25.00 H new ATOM 1354 N GLU A 88 34.925 9.775 31.813 1.00 25.00 N ATOM 1355 CA GLU A 88 36.335 9.971 31.467 1.00 25.00 C ATOM 1356 C GLU A 88 37.333 8.963 32.039 1.00 25.00 C ATOM 1357 O GLU A 88 37.354 8.661 33.235 1.00 25.00 O ATOM 1358 CB GLU A 88 36.733 11.387 31.901 1.00 25.00 C ATOM 1359 CG GLU A 88 38.110 11.831 31.426 1.00 25.00 C ATOM 1360 CD GLU A 88 38.379 13.286 31.745 1.00 25.00 C ATOM 1361 OE1 GLU A 88 38.303 13.704 32.921 1.00 25.00 O ATOM 1362 OE2 GLU A 88 38.651 14.059 30.803 1.00 25.00 O ATOM 0 H GLU A 88 34.749 9.610 32.804 1.00 25.00 H new ATOM 0 HA GLU A 88 36.396 9.814 30.390 1.00 25.00 H new ATOM 0 HB2 GLU A 88 35.989 12.090 31.526 1.00 25.00 H new ATOM 0 HB3 GLU A 88 36.703 11.441 32.989 1.00 25.00 H new ATOM 0 HG2 GLU A 88 38.873 11.210 31.896 1.00 25.00 H new ATOM 0 HG3 GLU A 88 38.190 11.675 30.350 1.00 25.00 H new ATOM 1369 N ASP A 89 38.210 8.507 31.159 1.00 25.00 N ATOM 1370 CA ASP A 89 39.392 7.715 31.483 1.00 25.00 C ATOM 1371 C ASP A 89 40.290 8.101 30.308 1.00 25.00 C ATOM 1372 O ASP A 89 39.892 8.956 29.501 1.00 25.00 O ATOM 1373 CB ASP A 89 39.077 6.212 31.499 1.00 25.00 C ATOM 1374 CG ASP A 89 40.100 5.402 32.287 1.00 25.00 C ATOM 1375 OD1 ASP A 89 41.286 5.800 32.361 1.00 25.00 O ATOM 1376 OD2 ASP A 89 39.732 4.357 32.857 1.00 25.00 O ATOM 0 H ASP A 89 38.117 8.684 30.159 1.00 25.00 H new ATOM 0 HA ASP A 89 39.821 7.899 32.468 1.00 25.00 H new ATOM 0 HB2 ASP A 89 38.088 6.057 31.930 1.00 25.00 H new ATOM 0 HB3 ASP A 89 39.039 5.842 30.474 1.00 25.00 H new ATOM 1381 N VAL A 90 41.435 7.459 30.153 1.00 25.00 N ATOM 1382 CA VAL A 90 42.251 7.581 28.948 1.00 25.00 C ATOM 1383 C VAL A 90 41.596 6.678 27.897 1.00 25.00 C ATOM 1384 O VAL A 90 41.873 5.481 27.812 1.00 25.00 O ATOM 1385 CB VAL A 90 43.729 7.179 29.217 1.00 25.00 C ATOM 1386 CG1 VAL A 90 44.597 7.410 27.979 1.00 50.00 C ATOM 1387 CG2 VAL A 90 44.297 7.984 30.395 1.00 50.00 C ATOM 0 H VAL A 90 41.829 6.836 30.858 1.00 25.00 H new ATOM 0 HA VAL A 90 42.291 8.614 28.602 1.00 25.00 H new ATOM 0 HB VAL A 90 43.744 6.117 29.462 1.00 25.00 H new ATOM 0 HG11 VAL A 90 45.625 7.120 28.196 1.00 50.00 H new ATOM 0 HG12 VAL A 90 44.218 6.810 27.152 1.00 50.00 H new ATOM 0 HG13 VAL A 90 44.567 8.465 27.705 1.00 50.00 H new ATOM 0 HG21 VAL A 90 45.332 7.691 30.571 1.00 50.00 H new ATOM 0 HG22 VAL A 90 44.256 9.048 30.162 1.00 50.00 H new ATOM 0 HG23 VAL A 90 43.707 7.785 31.290 1.00 50.00 H new ATOM 1397 N ILE A 91 40.649 7.242 27.164 1.00 25.00 N ATOM 1398 CA ILE A 91 39.849 6.511 26.181 1.00 25.00 C ATOM 1399 C ILE A 91 40.343 7.027 24.844 1.00 25.00 C ATOM 1400 O ILE A 91 40.290 8.233 24.621 1.00 25.00 O ATOM 1401 CB ILE A 91 38.328 6.829 26.305 1.00 25.00 C ATOM 1402 CG1 ILE A 91 37.838 6.606 27.748 1.00 25.00 C ATOM 1403 CG2 ILE A 91 37.534 5.972 25.291 1.00 25.00 C ATOM 1404 CD1 ILE A 91 36.437 7.153 28.063 1.00 25.00 C ATOM 0 H ILE A 91 40.408 8.231 27.232 1.00 25.00 H new ATOM 0 HA ILE A 91 39.955 5.435 26.316 1.00 25.00 H new ATOM 0 HB ILE A 91 38.160 7.880 26.070 1.00 25.00 H new ATOM 0 HG12 ILE A 91 37.846 5.536 27.955 1.00 25.00 H new ATOM 0 HG13 ILE A 91 38.551 7.068 28.431 1.00 25.00 H new ATOM 0 HG21 ILE A 91 36.471 6.196 25.379 1.00 25.00 H new ATOM 0 HG22 ILE A 91 37.870 6.200 24.280 1.00 25.00 H new ATOM 0 HG23 ILE A 91 37.701 4.915 25.499 1.00 25.00 H new ATOM 0 HD11 ILE A 91 36.190 6.943 29.104 1.00 25.00 H new ATOM 0 HD12 ILE A 91 36.421 8.230 27.896 1.00 25.00 H new ATOM 0 HD13 ILE A 91 35.705 6.674 27.413 1.00 25.00 H new ATOM 1416 N GLU A 92 40.883 6.185 23.978 1.00 25.00 N ATOM 1417 CA GLU A 92 41.505 6.693 22.760 1.00 25.00 C ATOM 1418 C GLU A 92 41.458 5.751 21.563 1.00 25.00 C ATOM 1419 O GLU A 92 41.666 4.544 21.681 1.00 25.00 O ATOM 1420 CB GLU A 92 42.957 7.053 23.080 1.00 25.00 C ATOM 1421 CG GLU A 92 43.363 8.440 22.602 1.00 25.00 C ATOM 1422 CD GLU A 92 44.681 8.903 23.202 1.00 25.00 C ATOM 1423 OE1 GLU A 92 44.771 8.991 24.451 1.00 25.00 O ATOM 1424 OE2 GLU A 92 45.646 9.173 22.459 1.00 25.00 O ATOM 0 H GLU A 92 40.906 5.171 24.088 1.00 25.00 H new ATOM 0 HA GLU A 92 40.921 7.561 22.453 1.00 25.00 H new ATOM 0 HB2 GLU A 92 43.108 6.991 24.158 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.615 6.314 22.623 1.00 25.00 H new ATOM 0 HG2 GLU A 92 43.444 8.436 21.515 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.580 9.153 22.861 1.00 25.00 H new ATOM 1431 N VAL A 93 41.207 6.319 20.395 1.00 25.00 N ATOM 1432 CA VAL A 93 41.307 5.580 19.138 1.00 25.00 C ATOM 1433 C VAL A 93 42.739 5.805 18.674 1.00 25.00 C ATOM 1434 O VAL A 93 43.189 6.949 18.646 1.00 25.00 O ATOM 1435 CB VAL A 93 40.312 6.133 18.076 1.00 25.00 C ATOM 1436 CG1 VAL A 93 40.484 5.431 16.722 1.00 50.00 C ATOM 1437 CG2 VAL A 93 38.860 5.967 18.555 1.00 50.00 C ATOM 0 H VAL A 93 40.931 7.295 20.287 1.00 25.00 H new ATOM 0 HA VAL A 93 41.063 4.526 19.271 1.00 25.00 H new ATOM 0 HB VAL A 93 40.534 7.192 17.948 1.00 25.00 H new ATOM 0 HG11 VAL A 93 39.773 5.843 16.006 1.00 50.00 H new ATOM 0 HG12 VAL A 93 41.499 5.588 16.357 1.00 50.00 H new ATOM 0 HG13 VAL A 93 40.302 4.363 16.840 1.00 50.00 H new ATOM 0 HG21 VAL A 93 38.180 6.360 17.799 1.00 50.00 H new ATOM 0 HG22 VAL A 93 38.649 4.910 18.719 1.00 50.00 H new ATOM 0 HG23 VAL A 93 38.720 6.514 19.488 1.00 50.00 H new ATOM 1447 N TYR A 94 43.453 4.753 18.303 1.00 25.00 N ATOM 1448 CA TYR A 94 44.805 4.863 17.752 1.00 25.00 C ATOM 1449 C TYR A 94 44.770 4.187 16.391 1.00 25.00 C ATOM 1450 O TYR A 94 43.945 3.307 16.156 1.00 25.00 O ATOM 1451 CB TYR A 94 45.825 4.130 18.626 1.00 25.00 C ATOM 1452 CG TYR A 94 46.390 4.917 19.780 1.00 25.00 C ATOM 1453 CD1 TYR A 94 45.670 5.065 20.981 1.00 25.00 C ATOM 1454 CD2 TYR A 94 47.679 5.487 19.690 1.00 25.00 C ATOM 1455 CE1 TYR A 94 46.242 5.748 22.084 1.00 25.00 C ATOM 1456 CE2 TYR A 94 48.243 6.185 20.790 1.00 25.00 C ATOM 1457 CZ TYR A 94 47.517 6.297 21.976 1.00 25.00 C ATOM 1458 OH TYR A 94 48.049 6.938 23.055 1.00 25.00 O ATOM 0 H TYR A 94 43.114 3.793 18.374 1.00 25.00 H new ATOM 0 HA TYR A 94 45.099 5.911 17.697 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.355 3.229 19.021 1.00 25.00 H new ATOM 0 HB3 TYR A 94 46.651 3.807 17.993 1.00 25.00 H new ATOM 0 HD1 TYR A 94 44.674 4.655 21.063 1.00 25.00 H new ATOM 0 HD2 TYR A 94 48.242 5.391 18.774 1.00 25.00 H new ATOM 0 HE1 TYR A 94 45.689 5.842 23.007 1.00 25.00 H new ATOM 0 HE2 TYR A 94 49.226 6.626 20.709 1.00 25.00 H new ATOM 0 HH TYR A 94 48.944 7.268 22.831 1.00 25.00 H new ATOM 1468 N GLN A 95 45.676 4.563 15.502 1.00 25.00 N ATOM 1469 CA GLN A 95 45.791 3.888 14.215 1.00 25.00 C ATOM 1470 C GLN A 95 46.660 2.656 14.463 1.00 25.00 C ATOM 1471 O GLN A 95 47.472 2.644 15.391 1.00 25.00 O ATOM 1472 CB GLN A 95 46.440 4.807 13.173 1.00 25.00 C ATOM 1473 CG GLN A 95 45.556 5.967 12.692 1.00 25.00 C ATOM 1474 CD GLN A 95 45.331 7.056 13.726 1.00 25.00 C ATOM 1475 OE1 GLN A 95 46.255 7.753 14.134 1.00 25.00 O ATOM 1476 NE2 GLN A 95 44.109 7.206 14.164 1.00 25.00 N ATOM 0 H GLN A 95 46.338 5.326 15.644 1.00 25.00 H new ATOM 0 HA GLN A 95 44.812 3.613 13.823 1.00 25.00 H new ATOM 0 HB2 GLN A 95 47.357 5.219 13.595 1.00 25.00 H new ATOM 0 HB3 GLN A 95 46.728 4.207 12.310 1.00 25.00 H new ATOM 0 HG2 GLN A 95 46.011 6.412 11.807 1.00 25.00 H new ATOM 0 HG3 GLN A 95 44.589 5.568 12.386 1.00 25.00 H new ATOM 0 HE21 GLN A 95 43.362 6.611 13.805 1.00 25.00 H new ATOM 0 HE22 GLN A 95 43.902 7.918 14.864 1.00 25.00 H new ATOM 1485 N GLU A 96 46.502 1.612 13.667 1.00 25.00 N ATOM 1486 CA GLU A 96 47.364 0.436 13.789 1.00 25.00 C ATOM 1487 C GLU A 96 48.705 0.731 13.114 1.00 25.00 C ATOM 1488 O GLU A 96 48.761 1.436 12.107 1.00 25.00 O ATOM 1489 CB GLU A 96 46.705 -0.775 13.124 1.00 25.00 C ATOM 1490 CG GLU A 96 45.526 -1.340 13.906 1.00 25.00 C ATOM 1491 CD GLU A 96 45.919 -2.464 14.857 1.00 25.00 C ATOM 1492 OE1 GLU A 96 46.748 -2.270 15.766 1.00 25.00 O ATOM 1493 OE2 GLU A 96 45.371 -3.580 14.714 1.00 25.00 O ATOM 0 H GLU A 96 45.794 1.549 12.935 1.00 25.00 H new ATOM 0 HA GLU A 96 47.521 0.210 14.844 1.00 25.00 H new ATOM 0 HB2 GLU A 96 46.366 -0.491 12.128 1.00 25.00 H new ATOM 0 HB3 GLU A 96 47.452 -1.558 12.995 1.00 25.00 H new ATOM 0 HG2 GLU A 96 45.059 -0.537 14.476 1.00 25.00 H new ATOM 0 HG3 GLU A 96 44.778 -1.711 13.205 1.00 25.00 H new