USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 27 ASN : amide:sc= 1.98 K(o=3,f=-3.1) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.496 K(o=1.5,f=-5.3!) USER MOD Set 2.2: A 58 THR OG1 : rot 112:sc= 1.04 USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 LYS NZ :NH3+ 180:sc= 2 (180deg=1.02) USER MOD Set 3.2: A 25 THR OG1 : rot 76:sc= 0.92 USER MOD Set 3.3: A 31 TYR OH : rot -165:sc= -0.337! USER MOD Single : A 7 THR OG1 : rot -47:sc= 1.18 USER MOD Single : A 9 TYR OH : rot 120:sc= 0.168 USER MOD Single : A 10 THR OG1 : rot 147:sc= 0.343 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -85:sc= 1.29 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.17 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 39 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.66) USER MOD Single : A 48 SER OG : rot 73:sc= 0.0469 USER MOD Single : A 53 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.0053) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0604) USER MOD Single : A 65 SER OG : rot 79:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0158 K(o=-0.016,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.476 USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.883 (180deg=-0.013) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.439 3.166 6.579 1.00 0.00 N ATOM 61 CA ALA A 5 6.811 3.891 5.363 1.00 0.00 C ATOM 62 C ALA A 5 5.872 3.561 4.207 1.00 0.00 C ATOM 63 O ALA A 5 6.040 4.059 3.084 1.00 0.00 O ATOM 64 CB ALA A 5 8.253 3.577 4.986 1.00 0.00 C ATOM 0 HA ALA A 5 6.721 4.958 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.519 4.122 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.915 3.878 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.358 2.506 4.810 1.00 0.00 H new ATOM 70 N LEU A 6 4.895 2.728 4.474 1.00 0.00 N ATOM 71 CA LEU A 6 3.969 2.315 3.460 1.00 0.00 C ATOM 72 C LEU A 6 2.563 2.434 4.005 1.00 0.00 C ATOM 73 O LEU A 6 2.307 2.010 5.115 1.00 0.00 O ATOM 74 CB LEU A 6 4.232 0.861 3.083 1.00 0.00 C ATOM 75 CG LEU A 6 3.613 0.386 1.802 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.275 1.076 0.645 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.739 -1.116 1.674 1.00 0.00 C ATOM 0 H LEU A 6 4.724 2.323 5.394 1.00 0.00 H new ATOM 0 HA LEU A 6 4.089 2.945 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.310 0.714 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.872 0.227 3.893 1.00 0.00 H new ATOM 0 HG LEU A 6 2.551 0.631 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.827 0.733 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.139 2.154 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.340 0.843 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.284 -1.441 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.793 -1.395 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.231 -1.596 2.510 1.00 0.00 H new ATOM 89 N THR A 7 1.688 3.007 3.247 1.00 0.00 N ATOM 90 CA THR A 7 0.311 3.137 3.630 1.00 0.00 C ATOM 91 C THR A 7 -0.564 2.308 2.670 1.00 0.00 C ATOM 92 O THR A 7 -0.497 2.487 1.467 1.00 0.00 O ATOM 93 CB THR A 7 -0.097 4.618 3.567 1.00 0.00 C ATOM 94 OG1 THR A 7 0.781 5.396 4.402 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.518 4.813 4.030 1.00 0.00 C ATOM 0 H THR A 7 1.906 3.404 2.333 1.00 0.00 H new ATOM 0 HA THR A 7 0.173 2.771 4.647 1.00 0.00 H new ATOM 0 HB THR A 7 -0.021 4.946 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.873 4.961 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.777 5.870 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.191 4.240 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.615 4.470 5.060 1.00 0.00 H new ATOM 103 N ILE A 8 -1.350 1.412 3.202 1.00 0.00 N ATOM 104 CA ILE A 8 -2.198 0.543 2.403 1.00 0.00 C ATOM 105 C ILE A 8 -3.654 0.780 2.760 1.00 0.00 C ATOM 106 O ILE A 8 -3.978 1.081 3.892 1.00 0.00 O ATOM 107 CB ILE A 8 -1.826 -0.962 2.615 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.411 -1.231 2.113 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.830 -1.910 1.938 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.040 -2.656 2.290 1.00 0.00 C ATOM 0 H ILE A 8 -1.427 1.256 4.207 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.040 0.781 1.351 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.870 -1.162 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.356 -0.972 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.281 -0.573 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.530 -2.943 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.824 -1.745 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.849 -1.714 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.055 -2.766 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.019 -2.915 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.628 -3.320 1.741 1.00 0.00 H new ATOM 122 N TYR A 9 -4.506 0.685 1.795 1.00 0.00 N ATOM 123 CA TYR A 9 -5.912 0.844 2.008 1.00 0.00 C ATOM 124 C TYR A 9 -6.565 -0.534 2.114 1.00 0.00 C ATOM 125 O TYR A 9 -6.247 -1.424 1.330 1.00 0.00 O ATOM 126 CB TYR A 9 -6.496 1.689 0.876 1.00 0.00 C ATOM 127 CG TYR A 9 -5.894 3.090 0.819 1.00 0.00 C ATOM 128 CD1 TYR A 9 -4.732 3.341 0.105 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.470 4.142 1.502 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.165 4.591 0.070 1.00 0.00 C ATOM 131 CE2 TYR A 9 -5.905 5.404 1.477 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.752 5.616 0.758 1.00 0.00 C ATOM 133 OH TYR A 9 -4.183 6.858 0.732 1.00 0.00 O ATOM 0 H TYR A 9 -4.248 0.493 0.827 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.110 1.368 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.324 1.185 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.576 1.766 1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.262 2.534 -0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.377 3.977 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.262 4.763 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.366 6.217 2.018 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.819 7.501 0.355 1.00 0.00 H new ATOM 143 N THR A 10 -7.415 -0.733 3.118 1.00 0.00 N ATOM 144 CA THR A 10 -8.034 -2.028 3.351 1.00 0.00 C ATOM 145 C THR A 10 -9.511 -1.909 3.773 1.00 0.00 C ATOM 146 O THR A 10 -9.939 -0.883 4.327 1.00 0.00 O ATOM 147 CB THR A 10 -7.264 -2.805 4.442 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.019 -1.930 5.551 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.943 -3.361 3.922 1.00 0.00 C ATOM 0 H THR A 10 -7.689 -0.010 3.783 1.00 0.00 H new ATOM 0 HA THR A 10 -7.994 -2.565 2.403 1.00 0.00 H new ATOM 0 HB THR A 10 -7.875 -3.653 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.044 -2.444 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.435 -3.900 4.722 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.136 -4.041 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.312 -2.540 3.580 1.00 0.00 H new ATOM 157 N THR A 11 -10.274 -2.960 3.486 1.00 0.00 N ATOM 158 CA THR A 11 -11.664 -3.108 3.876 1.00 0.00 C ATOM 159 C THR A 11 -11.878 -4.581 4.174 1.00 0.00 C ATOM 160 O THR A 11 -11.042 -5.410 3.779 1.00 0.00 O ATOM 161 CB THR A 11 -12.645 -2.717 2.737 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.300 -3.409 1.535 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.684 -1.220 2.476 1.00 0.00 C ATOM 0 H THR A 11 -9.924 -3.758 2.956 1.00 0.00 H new ATOM 0 HA THR A 11 -11.860 -2.456 4.728 1.00 0.00 H new ATOM 0 HB THR A 11 -13.642 -3.010 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.924 -3.158 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.387 -1.009 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.003 -0.701 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.690 -0.874 2.190 1.00 0.00 H new ATOM 171 N SER A 12 -12.956 -4.912 4.831 1.00 0.00 N ATOM 172 CA SER A 12 -13.289 -6.295 5.113 1.00 0.00 C ATOM 173 C SER A 12 -14.064 -6.938 3.949 1.00 0.00 C ATOM 174 O SER A 12 -14.381 -8.122 3.971 1.00 0.00 O ATOM 175 CB SER A 12 -14.102 -6.363 6.405 1.00 0.00 C ATOM 176 OG SER A 12 -15.241 -5.500 6.346 1.00 0.00 O ATOM 0 H SER A 12 -13.632 -4.237 5.189 1.00 0.00 H new ATOM 0 HA SER A 12 -12.364 -6.859 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.428 -7.388 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.472 -6.081 7.249 1.00 0.00 H new ATOM 0 HG SER A 12 -14.979 -4.594 6.612 1.00 0.00 H new ATOM 182 N TRP A 13 -14.317 -6.153 2.907 1.00 0.00 N ATOM 183 CA TRP A 13 -15.146 -6.592 1.775 1.00 0.00 C ATOM 184 C TRP A 13 -14.237 -7.138 0.679 1.00 0.00 C ATOM 185 O TRP A 13 -14.587 -7.119 -0.506 1.00 0.00 O ATOM 186 CB TRP A 13 -15.900 -5.383 1.176 1.00 0.00 C ATOM 187 CG TRP A 13 -16.434 -4.402 2.173 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.988 -4.670 3.384 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.475 -2.980 2.019 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.336 -3.512 4.005 1.00 0.00 N ATOM 191 CE2 TRP A 13 -17.044 -2.455 3.185 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.078 -2.103 1.004 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.225 -1.087 3.375 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.260 -0.747 1.193 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.831 -0.253 2.368 1.00 0.00 C ATOM 0 H TRP A 13 -13.960 -5.202 2.817 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.849 -7.348 2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.228 -4.857 0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.731 -5.755 0.577 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.131 -5.659 3.794 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.749 -3.442 4.935 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.638 -2.478 0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.661 -0.700 4.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.956 -0.057 0.420 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.964 0.813 2.483 1.00 0.00 H new ATOM 206 N CYS A 14 -13.105 -7.645 1.068 1.00 0.00 N ATOM 207 CA CYS A 14 -12.075 -7.970 0.129 1.00 0.00 C ATOM 208 C CYS A 14 -11.246 -9.166 0.571 1.00 0.00 C ATOM 209 O CYS A 14 -11.124 -9.446 1.767 1.00 0.00 O ATOM 210 CB CYS A 14 -11.207 -6.727 -0.022 1.00 0.00 C ATOM 211 SG CYS A 14 -9.596 -6.966 -0.827 1.00 0.00 S ATOM 0 H CYS A 14 -12.871 -7.844 2.041 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.519 -8.258 -0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.767 -5.985 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.036 -6.306 0.969 1.00 0.00 H new ATOM 216 N GLY A 15 -10.711 -9.884 -0.406 1.00 0.00 N ATOM 217 CA GLY A 15 -9.836 -10.999 -0.148 1.00 0.00 C ATOM 218 C GLY A 15 -8.518 -10.869 -0.901 1.00 0.00 C ATOM 219 O GLY A 15 -7.484 -11.355 -0.446 1.00 0.00 O ATOM 0 H GLY A 15 -10.876 -9.704 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.638 -11.066 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.331 -11.925 -0.439 1.00 0.00 H new ATOM 223 N TYR A 16 -8.554 -10.185 -2.038 1.00 0.00 N ATOM 224 CA TYR A 16 -7.377 -9.988 -2.891 1.00 0.00 C ATOM 225 C TYR A 16 -6.322 -9.145 -2.174 1.00 0.00 C ATOM 226 O TYR A 16 -5.120 -9.397 -2.282 1.00 0.00 O ATOM 227 CB TYR A 16 -7.801 -9.331 -4.224 1.00 0.00 C ATOM 228 CG TYR A 16 -6.670 -9.084 -5.206 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.128 -10.121 -5.947 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.160 -7.806 -5.397 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.104 -9.897 -6.845 1.00 0.00 C ATOM 232 CE2 TYR A 16 -5.134 -7.571 -6.294 1.00 0.00 C ATOM 233 CZ TYR A 16 -4.610 -8.622 -7.016 1.00 0.00 C ATOM 234 OH TYR A 16 -3.583 -8.401 -7.910 1.00 0.00 O ATOM 0 H TYR A 16 -9.401 -9.748 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.931 -10.959 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.546 -9.966 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.286 -8.380 -4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.513 -11.122 -5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.572 -6.981 -4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.691 -10.718 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.746 -6.572 -6.428 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.351 -7.449 -7.913 1.00 0.00 H new ATOM 244 N CYS A 17 -6.788 -8.178 -1.404 1.00 0.00 N ATOM 245 CA CYS A 17 -5.932 -7.291 -0.632 1.00 0.00 C ATOM 246 C CYS A 17 -5.099 -8.073 0.382 1.00 0.00 C ATOM 247 O CYS A 17 -3.947 -7.731 0.655 1.00 0.00 O ATOM 248 CB CYS A 17 -6.797 -6.260 0.092 1.00 0.00 C ATOM 249 SG CYS A 17 -8.323 -6.973 0.761 1.00 0.00 S ATOM 0 H CYS A 17 -7.783 -7.983 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.247 -6.788 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.222 -5.816 0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.049 -5.455 -0.598 1.00 0.00 H new ATOM 254 N LEU A 18 -5.679 -9.161 0.889 1.00 0.00 N ATOM 255 CA LEU A 18 -5.060 -9.989 1.909 1.00 0.00 C ATOM 256 C LEU A 18 -3.823 -10.700 1.388 1.00 0.00 C ATOM 257 O LEU A 18 -2.885 -10.968 2.151 1.00 0.00 O ATOM 258 CB LEU A 18 -6.060 -10.990 2.453 1.00 0.00 C ATOM 259 CG LEU A 18 -7.309 -10.387 3.098 1.00 0.00 C ATOM 260 CD1 LEU A 18 -8.185 -11.481 3.618 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.941 -9.425 4.226 1.00 0.00 C ATOM 0 H LEU A 18 -6.599 -9.490 0.597 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.740 -9.332 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.372 -11.645 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.557 -11.616 3.190 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.848 -9.820 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.074 -11.048 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.482 -12.132 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.639 -12.062 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.850 -9.013 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.379 -9.960 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.331 -8.614 3.828 1.00 0.00 H new ATOM 273 N ARG A 19 -3.809 -10.975 0.085 1.00 0.00 N ATOM 274 CA ARG A 19 -2.673 -11.628 -0.559 1.00 0.00 C ATOM 275 C ARG A 19 -1.434 -10.764 -0.399 1.00 0.00 C ATOM 276 O ARG A 19 -0.426 -11.190 0.164 1.00 0.00 O ATOM 277 CB ARG A 19 -2.931 -11.821 -2.055 1.00 0.00 C ATOM 278 CG ARG A 19 -1.786 -12.518 -2.779 1.00 0.00 C ATOM 279 CD ARG A 19 -1.873 -12.335 -4.280 1.00 0.00 C ATOM 280 NE ARG A 19 -3.114 -12.857 -4.858 1.00 0.00 N ATOM 281 CZ ARG A 19 -3.379 -12.895 -6.170 1.00 0.00 C ATOM 282 NH1 ARG A 19 -2.505 -12.398 -7.046 1.00 0.00 N ATOM 283 NH2 ARG A 19 -4.531 -13.399 -6.595 1.00 0.00 N ATOM 0 H ARG A 19 -4.577 -10.754 -0.548 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.530 -12.600 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.843 -12.403 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.104 -10.848 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.836 -12.124 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.800 -13.582 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.790 -11.274 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.025 -12.833 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.823 -13.215 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.631 -11.987 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.710 -12.429 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.211 -13.755 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.737 -13.430 -7.594 1.00 0.00 H new ATOM 297 N LEU A 20 -1.549 -9.534 -0.851 1.00 0.00 N ATOM 298 CA LEU A 20 -0.445 -8.594 -0.828 1.00 0.00 C ATOM 299 C LEU A 20 -0.088 -8.244 0.613 1.00 0.00 C ATOM 300 O LEU A 20 1.082 -8.172 0.969 1.00 0.00 O ATOM 301 CB LEU A 20 -0.823 -7.324 -1.613 1.00 0.00 C ATOM 302 CG LEU A 20 0.203 -6.166 -1.664 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.337 -6.412 -2.662 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.493 -4.845 -1.945 1.00 0.00 C ATOM 0 H LEU A 20 -2.410 -9.156 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 20 0.425 -9.051 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.044 -7.619 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.747 -6.932 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 20 0.668 -6.118 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.022 -5.564 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.876 -7.318 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.922 -6.529 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.246 -4.044 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.008 -4.902 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.217 -4.640 -1.156 1.00 0.00 H new ATOM 316 N LYS A 21 -1.115 -8.086 1.427 1.00 0.00 N ATOM 317 CA LYS A 21 -0.980 -7.699 2.819 1.00 0.00 C ATOM 318 C LYS A 21 -0.102 -8.712 3.589 1.00 0.00 C ATOM 319 O LYS A 21 0.824 -8.330 4.321 1.00 0.00 O ATOM 320 CB LYS A 21 -2.377 -7.606 3.433 1.00 0.00 C ATOM 321 CG LYS A 21 -2.456 -6.763 4.674 1.00 0.00 C ATOM 322 CD LYS A 21 -3.871 -6.676 5.196 1.00 0.00 C ATOM 323 CE LYS A 21 -3.998 -5.635 6.294 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.201 -5.938 7.503 1.00 0.00 N ATOM 0 H LYS A 21 -2.082 -8.225 1.135 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.486 -6.730 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.061 -7.199 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.724 -8.612 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.809 -7.185 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.084 -5.761 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.547 -6.427 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.179 -7.649 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.689 -4.667 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.047 -5.545 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.338 -5.185 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.510 -6.847 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.194 -5.996 7.249 1.00 0.00 H new ATOM 338 N THR A 22 -0.366 -9.990 3.378 1.00 0.00 N ATOM 339 CA THR A 22 0.400 -11.037 4.029 1.00 0.00 C ATOM 340 C THR A 22 1.821 -11.138 3.455 1.00 0.00 C ATOM 341 O THR A 22 2.791 -11.340 4.202 1.00 0.00 O ATOM 342 CB THR A 22 -0.332 -12.410 3.990 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.818 -12.695 2.658 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.494 -12.430 4.972 1.00 0.00 C ATOM 0 H THR A 22 -1.105 -10.327 2.761 1.00 0.00 H new ATOM 0 HA THR A 22 0.490 -10.756 5.078 1.00 0.00 H new ATOM 0 HB THR A 22 0.387 -13.178 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.630 -12.173 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.991 -13.399 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.120 -12.260 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.204 -11.646 4.711 1.00 0.00 H new ATOM 352 N ALA A 23 1.939 -10.944 2.142 1.00 0.00 N ATOM 353 CA ALA A 23 3.223 -10.976 1.443 1.00 0.00 C ATOM 354 C ALA A 23 4.157 -9.912 1.976 1.00 0.00 C ATOM 355 O ALA A 23 5.341 -10.172 2.214 1.00 0.00 O ATOM 356 CB ALA A 23 3.010 -10.783 -0.052 1.00 0.00 C ATOM 0 H ALA A 23 1.143 -10.759 1.531 1.00 0.00 H new ATOM 0 HA ALA A 23 3.681 -11.950 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.972 -10.808 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.375 -11.581 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.530 -9.821 -0.230 1.00 0.00 H new ATOM 362 N LEU A 24 3.625 -8.734 2.196 1.00 0.00 N ATOM 363 CA LEU A 24 4.410 -7.623 2.683 1.00 0.00 C ATOM 364 C LEU A 24 4.843 -7.851 4.119 1.00 0.00 C ATOM 365 O LEU A 24 6.005 -7.626 4.460 1.00 0.00 O ATOM 366 CB LEU A 24 3.651 -6.308 2.518 1.00 0.00 C ATOM 367 CG LEU A 24 3.230 -5.973 1.082 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.550 -4.637 1.019 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.405 -6.014 0.129 1.00 0.00 C ATOM 0 H LEU A 24 2.640 -8.518 2.044 1.00 0.00 H new ATOM 0 HA LEU A 24 5.316 -7.553 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.759 -6.341 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.274 -5.497 2.895 1.00 0.00 H new ATOM 0 HG LEU A 24 2.521 -6.738 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.262 -4.424 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.661 -4.651 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.233 -3.864 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.065 -5.771 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.155 -5.288 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.842 -7.012 0.133 1.00 0.00 H new ATOM 381 N THR A 25 3.940 -8.348 4.947 1.00 0.00 N ATOM 382 CA THR A 25 4.269 -8.648 6.327 1.00 0.00 C ATOM 383 C THR A 25 5.360 -9.740 6.392 1.00 0.00 C ATOM 384 O THR A 25 6.337 -9.609 7.128 1.00 0.00 O ATOM 385 CB THR A 25 3.021 -9.090 7.121 1.00 0.00 C ATOM 386 OG1 THR A 25 1.994 -8.088 6.990 1.00 0.00 O ATOM 387 CG2 THR A 25 3.357 -9.263 8.596 1.00 0.00 C ATOM 0 H THR A 25 2.975 -8.552 4.687 1.00 0.00 H new ATOM 0 HA THR A 25 4.651 -7.736 6.786 1.00 0.00 H new ATOM 0 HB THR A 25 2.674 -10.043 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.577 -8.160 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.464 -9.575 9.138 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.132 -10.022 8.706 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.716 -8.317 9.001 1.00 0.00 H new ATOM 395 N ALA A 26 5.231 -10.764 5.544 1.00 0.00 N ATOM 396 CA ALA A 26 6.201 -11.865 5.483 1.00 0.00 C ATOM 397 C ALA A 26 7.554 -11.383 4.944 1.00 0.00 C ATOM 398 O ALA A 26 8.592 -12.021 5.144 1.00 0.00 O ATOM 399 CB ALA A 26 5.665 -12.996 4.629 1.00 0.00 C ATOM 0 H ALA A 26 4.458 -10.855 4.884 1.00 0.00 H new ATOM 0 HA ALA A 26 6.355 -12.234 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.396 -13.804 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.735 -13.367 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.478 -12.632 3.619 1.00 0.00 H new ATOM 405 N ASN A 27 7.532 -10.255 4.286 1.00 0.00 N ATOM 406 CA ASN A 27 8.730 -9.646 3.749 1.00 0.00 C ATOM 407 C ASN A 27 9.267 -8.558 4.656 1.00 0.00 C ATOM 408 O ASN A 27 10.183 -7.830 4.276 1.00 0.00 O ATOM 409 CB ASN A 27 8.488 -9.110 2.334 1.00 0.00 C ATOM 410 CG ASN A 27 8.759 -10.142 1.268 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.894 -10.262 0.781 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.742 -10.877 0.888 1.00 0.00 N ATOM 0 H ASN A 27 6.679 -9.726 4.104 1.00 0.00 H new ATOM 0 HA ASN A 27 9.490 -10.425 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.456 -8.769 2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.125 -8.242 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.866 -11.584 0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.827 -10.742 1.318 1.00 0.00 H new ATOM 419 N ARG A 28 8.695 -8.461 5.869 1.00 0.00 N ATOM 420 CA ARG A 28 9.125 -7.492 6.900 1.00 0.00 C ATOM 421 C ARG A 28 8.859 -6.048 6.479 1.00 0.00 C ATOM 422 O ARG A 28 9.463 -5.099 7.009 1.00 0.00 O ATOM 423 CB ARG A 28 10.608 -7.697 7.296 1.00 0.00 C ATOM 424 CG ARG A 28 10.910 -9.031 7.989 1.00 0.00 C ATOM 425 CD ARG A 28 10.440 -9.083 9.455 1.00 0.00 C ATOM 426 NE ARG A 28 8.996 -8.819 9.647 1.00 0.00 N ATOM 427 CZ ARG A 28 8.079 -9.731 10.002 1.00 0.00 C ATOM 428 NH1 ARG A 28 8.431 -10.994 10.226 1.00 0.00 N ATOM 429 NH2 ARG A 28 6.817 -9.360 10.161 1.00 0.00 N ATOM 0 H ARG A 28 7.919 -9.053 6.166 1.00 0.00 H new ATOM 0 HA ARG A 28 8.518 -7.686 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.223 -7.622 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.909 -6.884 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.430 -9.837 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.984 -9.215 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.674 -10.066 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.009 -8.354 10.032 1.00 0.00 H new ATOM 0 HE ARG A 28 8.671 -7.864 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.406 -11.277 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.726 -11.680 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.549 -8.387 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.113 -10.047 10.431 1.00 0.00 H new ATOM 443 N ILE A 29 7.925 -5.879 5.581 1.00 0.00 N ATOM 444 CA ILE A 29 7.546 -4.582 5.114 1.00 0.00 C ATOM 445 C ILE A 29 6.482 -4.032 6.043 1.00 0.00 C ATOM 446 O ILE A 29 5.435 -4.652 6.237 1.00 0.00 O ATOM 447 CB ILE A 29 7.023 -4.630 3.650 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.133 -5.168 2.715 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.532 -3.248 3.203 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.734 -5.288 1.266 1.00 0.00 C ATOM 0 H ILE A 29 7.405 -6.646 5.153 1.00 0.00 H new ATOM 0 HA ILE A 29 8.420 -3.931 5.116 1.00 0.00 H new ATOM 0 HB ILE A 29 6.172 -5.309 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.999 -4.510 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.447 -6.148 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.171 -3.305 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.722 -2.921 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.354 -2.534 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.574 -5.672 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.889 -5.971 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.450 -4.307 0.885 1.00 0.00 H new ATOM 462 N ALA A 30 6.775 -2.916 6.652 1.00 0.00 N ATOM 463 CA ALA A 30 5.873 -2.293 7.573 1.00 0.00 C ATOM 464 C ALA A 30 4.953 -1.344 6.840 1.00 0.00 C ATOM 465 O ALA A 30 5.410 -0.454 6.107 1.00 0.00 O ATOM 466 CB ALA A 30 6.652 -1.558 8.639 1.00 0.00 C ATOM 0 H ALA A 30 7.652 -2.413 6.520 1.00 0.00 H new ATOM 0 HA ALA A 30 5.266 -3.061 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.959 -1.087 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.285 -2.263 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.274 -0.794 8.173 1.00 0.00 H new ATOM 472 N TYR A 31 3.679 -1.519 7.048 1.00 0.00 N ATOM 473 CA TYR A 31 2.677 -0.717 6.405 1.00 0.00 C ATOM 474 C TYR A 31 1.611 -0.322 7.408 1.00 0.00 C ATOM 475 O TYR A 31 1.399 -1.026 8.408 1.00 0.00 O ATOM 476 CB TYR A 31 2.036 -1.492 5.231 1.00 0.00 C ATOM 477 CG TYR A 31 1.373 -2.794 5.632 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.047 -2.825 6.056 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.076 -3.986 5.600 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.547 -3.997 6.438 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.488 -5.164 5.987 1.00 0.00 C ATOM 482 CZ TYR A 31 0.172 -5.161 6.405 1.00 0.00 C ATOM 483 OH TYR A 31 -0.422 -6.329 6.818 1.00 0.00 O ATOM 0 H TYR A 31 3.303 -2.230 7.675 1.00 0.00 H new ATOM 0 HA TYR A 31 3.149 0.183 6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.295 -0.853 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.805 -1.703 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.523 -1.908 6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.103 -3.989 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.577 -4.003 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.050 -6.086 5.965 1.00 0.00 H new ATOM 0 HH TYR A 31 0.266 -7.011 6.967 1.00 0.00 H new ATOM 493 N ASP A 32 0.989 0.795 7.175 1.00 0.00 N ATOM 494 CA ASP A 32 -0.137 1.226 7.969 1.00 0.00 C ATOM 495 C ASP A 32 -1.360 1.153 7.078 1.00 0.00 C ATOM 496 O ASP A 32 -1.285 1.494 5.902 1.00 0.00 O ATOM 497 CB ASP A 32 0.062 2.660 8.554 1.00 0.00 C ATOM 498 CG ASP A 32 -0.017 3.812 7.544 1.00 0.00 C ATOM 499 OD1 ASP A 32 0.990 4.098 6.844 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.074 4.493 7.488 1.00 0.00 O ATOM 0 H ASP A 32 1.245 1.440 6.427 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.251 0.576 8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.692 2.825 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.034 2.699 9.046 1.00 0.00 H new ATOM 505 N GLU A 33 -2.447 0.642 7.587 1.00 0.00 N ATOM 506 CA GLU A 33 -3.638 0.501 6.783 1.00 0.00 C ATOM 507 C GLU A 33 -4.641 1.590 7.117 1.00 0.00 C ATOM 508 O GLU A 33 -4.717 2.052 8.263 1.00 0.00 O ATOM 509 CB GLU A 33 -4.233 -0.910 6.887 1.00 0.00 C ATOM 510 CG GLU A 33 -4.611 -1.369 8.278 1.00 0.00 C ATOM 511 CD GLU A 33 -5.142 -2.777 8.258 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.323 -2.972 7.890 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.384 -3.719 8.595 1.00 0.00 O ATOM 0 H GLU A 33 -2.537 0.317 8.550 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.361 0.630 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.121 -0.956 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.513 -1.618 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.740 -1.315 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.364 -0.699 8.693 1.00 0.00 H new ATOM 520 N VAL A 34 -5.378 2.025 6.129 1.00 0.00 N ATOM 521 CA VAL A 34 -6.267 3.147 6.296 1.00 0.00 C ATOM 522 C VAL A 34 -7.708 2.742 6.607 1.00 0.00 C ATOM 523 O VAL A 34 -8.306 1.897 5.943 1.00 0.00 O ATOM 524 CB VAL A 34 -6.221 4.115 5.081 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.040 5.365 5.329 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.799 4.490 4.761 1.00 0.00 C ATOM 0 H VAL A 34 -5.381 1.617 5.194 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.893 3.678 7.172 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.656 3.591 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.983 6.016 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.079 5.089 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.648 5.890 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.785 5.168 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.350 4.982 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.231 3.591 4.520 1.00 0.00 H new ATOM 536 N ASP A 35 -8.237 3.442 7.585 1.00 0.00 N ATOM 537 CA ASP A 35 -9.595 3.368 8.169 1.00 0.00 C ATOM 538 C ASP A 35 -10.762 3.513 7.180 1.00 0.00 C ATOM 539 O ASP A 35 -11.899 3.504 7.619 1.00 0.00 O ATOM 540 CB ASP A 35 -9.768 4.433 9.263 1.00 0.00 C ATOM 541 CG ASP A 35 -8.924 4.208 10.492 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.685 4.394 10.432 1.00 0.00 O ATOM 543 OD2 ASP A 35 -9.486 3.892 11.556 1.00 0.00 O ATOM 0 H ASP A 35 -7.683 4.159 8.054 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.650 2.354 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.525 5.409 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.817 4.465 9.559 1.00 0.00 H new ATOM 548 N ILE A 36 -10.486 3.706 5.877 1.00 0.00 N ATOM 549 CA ILE A 36 -11.499 4.108 4.826 1.00 0.00 C ATOM 550 C ILE A 36 -12.851 3.373 4.877 1.00 0.00 C ATOM 551 O ILE A 36 -13.844 3.903 4.390 1.00 0.00 O ATOM 552 CB ILE A 36 -10.972 3.923 3.382 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.631 2.459 3.107 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.766 4.794 3.146 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.714 2.089 1.641 1.00 0.00 C ATOM 0 H ILE A 36 -9.546 3.591 5.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.659 5.157 5.076 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.762 4.224 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.624 2.254 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.310 1.822 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.408 4.652 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.038 5.839 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.978 4.522 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.460 1.036 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.727 2.263 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.015 2.701 1.071 1.00 0.00 H new ATOM 567 N GLU A 37 -12.878 2.174 5.418 1.00 0.00 N ATOM 568 CA GLU A 37 -14.109 1.426 5.558 1.00 0.00 C ATOM 569 C GLU A 37 -15.094 2.228 6.423 1.00 0.00 C ATOM 570 O GLU A 37 -16.268 2.406 6.068 1.00 0.00 O ATOM 571 CB GLU A 37 -13.798 0.089 6.211 1.00 0.00 C ATOM 572 CG GLU A 37 -14.978 -0.831 6.359 1.00 0.00 C ATOM 573 CD GLU A 37 -14.579 -2.138 6.960 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.503 -2.238 8.213 1.00 0.00 O ATOM 575 OE2 GLU A 37 -14.314 -3.082 6.210 1.00 0.00 O ATOM 0 H GLU A 37 -12.052 1.692 5.772 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.561 1.252 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.032 -0.417 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.373 0.273 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.734 -0.357 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.433 -1.001 5.383 1.00 0.00 H new ATOM 582 N HIS A 38 -14.574 2.753 7.517 1.00 0.00 N ATOM 583 CA HIS A 38 -15.337 3.535 8.460 1.00 0.00 C ATOM 584 C HIS A 38 -15.083 5.034 8.239 1.00 0.00 C ATOM 585 O HIS A 38 -15.967 5.862 8.457 1.00 0.00 O ATOM 586 CB HIS A 38 -14.982 3.107 9.901 1.00 0.00 C ATOM 587 CG HIS A 38 -15.682 3.867 10.994 1.00 0.00 C ATOM 588 ND1 HIS A 38 -15.018 4.546 11.984 1.00 0.00 N ATOM 589 CD2 HIS A 38 -17.002 4.028 11.252 1.00 0.00 C ATOM 590 CE1 HIS A 38 -15.920 5.091 12.799 1.00 0.00 C ATOM 591 NE2 HIS A 38 -17.150 4.807 12.402 1.00 0.00 N ATOM 0 H HIS A 38 -13.593 2.644 7.775 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.401 3.355 8.304 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.213 2.048 10.014 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.906 3.215 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.810 3.620 10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.679 5.685 13.668 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -18.023 5.096 12.843 1.00 0.00 H new ATOM 599 N ASN A 39 -13.895 5.376 7.795 1.00 0.00 N ATOM 600 CA ASN A 39 -13.552 6.773 7.550 1.00 0.00 C ATOM 601 C ASN A 39 -13.920 7.159 6.140 1.00 0.00 C ATOM 602 O ASN A 39 -13.206 6.820 5.193 1.00 0.00 O ATOM 603 CB ASN A 39 -12.065 7.044 7.739 1.00 0.00 C ATOM 604 CG ASN A 39 -11.722 8.521 7.539 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.500 9.408 7.898 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.653 8.784 6.842 1.00 0.00 N ATOM 0 H ASN A 39 -13.146 4.713 7.594 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.112 7.363 8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.764 6.734 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.494 6.440 7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.440 9.746 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.029 8.028 6.560 1.00 0.00 H new ATOM 613 N ARG A 40 -14.992 7.894 5.993 1.00 0.00 N ATOM 614 CA ARG A 40 -15.461 8.268 4.673 1.00 0.00 C ATOM 615 C ARG A 40 -14.557 9.330 4.033 1.00 0.00 C ATOM 616 O ARG A 40 -14.577 9.514 2.813 1.00 0.00 O ATOM 617 CB ARG A 40 -16.920 8.755 4.704 1.00 0.00 C ATOM 618 CG ARG A 40 -17.137 10.081 5.423 1.00 0.00 C ATOM 619 CD ARG A 40 -18.586 10.527 5.330 1.00 0.00 C ATOM 620 NE ARG A 40 -19.037 10.694 3.929 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.323 10.712 3.525 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.309 10.683 4.422 1.00 0.00 N ATOM 623 NH2 ARG A 40 -20.616 10.794 2.233 1.00 0.00 N ATOM 0 H ARG A 40 -15.558 8.247 6.764 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.418 7.369 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.278 8.851 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.532 7.993 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.851 9.981 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.491 10.843 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.221 9.795 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.708 11.470 5.863 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.318 10.804 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.092 10.647 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.281 10.697 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.867 10.844 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.590 10.807 1.931 1.00 0.00 H new ATOM 637 N ALA A 41 -13.748 10.005 4.838 1.00 0.00 N ATOM 638 CA ALA A 41 -12.918 11.073 4.318 1.00 0.00 C ATOM 639 C ALA A 41 -11.760 10.562 3.470 1.00 0.00 C ATOM 640 O ALA A 41 -11.549 11.035 2.352 1.00 0.00 O ATOM 641 CB ALA A 41 -12.491 12.049 5.398 1.00 0.00 C ATOM 0 H ALA A 41 -13.652 9.833 5.839 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.543 11.645 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.871 12.830 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.374 12.499 5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.920 11.520 6.161 1.00 0.00 H new ATOM 647 N ALA A 42 -11.056 9.570 3.957 1.00 0.00 N ATOM 648 CA ALA A 42 -9.964 8.989 3.189 1.00 0.00 C ATOM 649 C ALA A 42 -10.519 8.112 2.077 1.00 0.00 C ATOM 650 O ALA A 42 -9.891 7.924 1.042 1.00 0.00 O ATOM 651 CB ALA A 42 -9.029 8.199 4.082 1.00 0.00 C ATOM 0 H ALA A 42 -11.211 9.146 4.872 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.387 9.799 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.223 7.777 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.609 8.858 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.582 7.394 4.566 1.00 0.00 H new ATOM 657 N ALA A 43 -11.726 7.611 2.285 1.00 0.00 N ATOM 658 CA ALA A 43 -12.393 6.767 1.310 1.00 0.00 C ATOM 659 C ALA A 43 -12.738 7.569 0.060 1.00 0.00 C ATOM 660 O ALA A 43 -12.697 7.050 -1.065 1.00 0.00 O ATOM 661 CB ALA A 43 -13.637 6.159 1.919 1.00 0.00 C ATOM 0 H ALA A 43 -12.269 7.778 3.132 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.720 5.961 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.132 5.527 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.361 5.558 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.316 6.953 2.230 1.00 0.00 H new ATOM 667 N GLU A 44 -13.032 8.847 0.269 1.00 0.00 N ATOM 668 CA GLU A 44 -13.358 9.762 -0.805 1.00 0.00 C ATOM 669 C GLU A 44 -12.115 9.955 -1.675 1.00 0.00 C ATOM 670 O GLU A 44 -12.188 9.990 -2.912 1.00 0.00 O ATOM 671 CB GLU A 44 -13.779 11.106 -0.216 1.00 0.00 C ATOM 672 CG GLU A 44 -14.506 12.010 -1.187 1.00 0.00 C ATOM 673 CD GLU A 44 -15.848 11.444 -1.567 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.783 11.513 -0.738 1.00 0.00 O ATOM 675 OE2 GLU A 44 -15.995 10.919 -2.687 1.00 0.00 O ATOM 0 H GLU A 44 -13.050 9.274 1.195 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.175 9.360 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.421 10.927 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.892 11.623 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.639 12.995 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.900 12.146 -2.083 1.00 0.00 H new ATOM 682 N PHE A 45 -10.973 10.044 -1.002 1.00 0.00 N ATOM 683 CA PHE A 45 -9.677 10.180 -1.645 1.00 0.00 C ATOM 684 C PHE A 45 -9.407 8.965 -2.524 1.00 0.00 C ATOM 685 O PHE A 45 -9.022 9.099 -3.683 1.00 0.00 O ATOM 686 CB PHE A 45 -8.579 10.351 -0.575 1.00 0.00 C ATOM 687 CG PHE A 45 -7.170 10.355 -1.104 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.707 11.405 -1.868 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.311 9.299 -0.836 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.419 11.410 -2.358 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.018 9.298 -1.322 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.572 10.355 -2.084 1.00 0.00 C ATOM 0 H PHE A 45 -10.924 10.023 0.017 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.674 11.066 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.754 11.286 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.675 9.547 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.363 12.235 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.657 8.468 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.072 12.239 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.359 8.471 -1.105 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.562 10.358 -2.466 1.00 0.00 H new ATOM 702 N VAL A 46 -9.665 7.788 -1.969 1.00 0.00 N ATOM 703 CA VAL A 46 -9.500 6.516 -2.681 1.00 0.00 C ATOM 704 C VAL A 46 -10.341 6.505 -3.961 1.00 0.00 C ATOM 705 O VAL A 46 -9.862 6.107 -5.025 1.00 0.00 O ATOM 706 CB VAL A 46 -9.897 5.310 -1.782 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.750 3.995 -2.518 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.055 5.291 -0.531 1.00 0.00 C ATOM 0 H VAL A 46 -9.996 7.682 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.446 6.419 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.946 5.432 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.036 3.175 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.395 3.996 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.713 3.866 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.343 4.442 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.003 5.202 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.209 6.215 0.025 1.00 0.00 H new ATOM 718 N GLY A 47 -11.569 7.007 -3.855 1.00 0.00 N ATOM 719 CA GLY A 47 -12.462 7.088 -5.002 1.00 0.00 C ATOM 720 C GLY A 47 -11.885 7.945 -6.126 1.00 0.00 C ATOM 721 O GLY A 47 -12.100 7.669 -7.302 1.00 0.00 O ATOM 0 H GLY A 47 -11.966 7.363 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.659 6.084 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.419 7.503 -4.686 1.00 0.00 H new ATOM 725 N SER A 48 -11.130 8.965 -5.761 1.00 0.00 N ATOM 726 CA SER A 48 -10.521 9.839 -6.737 1.00 0.00 C ATOM 727 C SER A 48 -9.218 9.230 -7.300 1.00 0.00 C ATOM 728 O SER A 48 -8.817 9.523 -8.433 1.00 0.00 O ATOM 729 CB SER A 48 -10.266 11.201 -6.107 1.00 0.00 C ATOM 730 OG SER A 48 -11.480 11.727 -5.580 1.00 0.00 O ATOM 0 H SER A 48 -10.926 9.206 -4.791 1.00 0.00 H new ATOM 0 HA SER A 48 -11.205 9.960 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.524 11.111 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.856 11.884 -6.851 1.00 0.00 H new ATOM 0 HG SER A 48 -11.721 11.239 -4.765 1.00 0.00 H new ATOM 736 N VAL A 49 -8.580 8.372 -6.521 1.00 0.00 N ATOM 737 CA VAL A 49 -7.342 7.716 -6.945 1.00 0.00 C ATOM 738 C VAL A 49 -7.648 6.549 -7.879 1.00 0.00 C ATOM 739 O VAL A 49 -6.951 6.328 -8.871 1.00 0.00 O ATOM 740 CB VAL A 49 -6.500 7.218 -5.724 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.241 6.476 -6.175 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.116 8.382 -4.834 1.00 0.00 C ATOM 0 H VAL A 49 -8.896 8.109 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.749 8.458 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.122 6.523 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.681 6.145 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.524 5.610 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.620 7.143 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.531 8.017 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.523 9.096 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.018 8.871 -4.466 1.00 0.00 H new ATOM 752 N ASN A 50 -8.694 5.830 -7.577 1.00 0.00 N ATOM 753 CA ASN A 50 -9.082 4.673 -8.367 1.00 0.00 C ATOM 754 C ASN A 50 -9.936 5.084 -9.557 1.00 0.00 C ATOM 755 O ASN A 50 -10.122 6.282 -9.823 1.00 0.00 O ATOM 756 CB ASN A 50 -9.836 3.649 -7.519 1.00 0.00 C ATOM 757 CG ASN A 50 -9.026 3.053 -6.378 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.588 2.695 -5.366 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.722 2.913 -6.531 1.00 0.00 N ATOM 0 H ASN A 50 -9.305 6.020 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.165 4.212 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.726 4.124 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.177 2.841 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.163 2.495 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.273 3.223 -7.393 1.00 0.00 H new ATOM 766 N GLY A 51 -10.434 4.103 -10.278 1.00 0.00 N ATOM 767 CA GLY A 51 -11.235 4.370 -11.442 1.00 0.00 C ATOM 768 C GLY A 51 -12.714 4.477 -11.136 1.00 0.00 C ATOM 769 O GLY A 51 -13.200 5.546 -10.751 1.00 0.00 O ATOM 0 H GLY A 51 -10.295 3.113 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.898 5.299 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.078 3.577 -12.173 1.00 0.00 H new ATOM 773 N GLY A 52 -13.419 3.373 -11.262 1.00 0.00 N ATOM 774 CA GLY A 52 -14.857 3.393 -11.105 1.00 0.00 C ATOM 775 C GLY A 52 -15.319 3.101 -9.694 1.00 0.00 C ATOM 776 O GLY A 52 -16.171 3.815 -9.150 1.00 0.00 O ATOM 0 H GLY A 52 -13.023 2.457 -11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.233 4.371 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.298 2.660 -11.781 1.00 0.00 H new ATOM 780 N ASN A 53 -14.776 2.075 -9.099 1.00 0.00 N ATOM 781 CA ASN A 53 -15.164 1.666 -7.758 1.00 0.00 C ATOM 782 C ASN A 53 -13.916 1.580 -6.887 1.00 0.00 C ATOM 783 O ASN A 53 -12.811 1.365 -7.413 1.00 0.00 O ATOM 784 CB ASN A 53 -15.917 0.309 -7.821 1.00 0.00 C ATOM 785 CG ASN A 53 -16.421 -0.200 -6.471 1.00 0.00 C ATOM 786 OD1 ASN A 53 -15.733 -0.945 -5.775 1.00 0.00 O ATOM 787 ND2 ASN A 53 -17.616 0.184 -6.095 1.00 0.00 N ATOM 0 H ASN A 53 -14.052 1.493 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.841 2.398 -7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.766 0.410 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.254 -0.440 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.998 -0.136 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.164 0.802 -6.693 1.00 0.00 H new ATOM 794 N ARG A 54 -14.075 1.793 -5.580 1.00 0.00 N ATOM 795 CA ARG A 54 -12.951 1.749 -4.644 1.00 0.00 C ATOM 796 C ARG A 54 -12.229 0.394 -4.682 1.00 0.00 C ATOM 797 O ARG A 54 -12.775 -0.647 -4.288 1.00 0.00 O ATOM 798 CB ARG A 54 -13.389 2.114 -3.202 1.00 0.00 C ATOM 799 CG ARG A 54 -13.826 3.572 -3.034 1.00 0.00 C ATOM 800 CD ARG A 54 -14.295 3.897 -1.607 1.00 0.00 C ATOM 801 NE ARG A 54 -15.448 3.074 -1.193 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.318 3.361 -0.199 1.00 0.00 C ATOM 803 NH1 ARG A 54 -16.317 4.550 0.392 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.249 2.474 0.128 1.00 0.00 N ATOM 0 H ARG A 54 -14.974 1.998 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.238 2.506 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.212 1.463 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.563 1.912 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.995 4.227 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.634 3.787 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.471 3.739 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.565 4.951 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.603 2.206 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.652 5.265 0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.981 4.748 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.304 1.585 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.910 2.681 0.877 1.00 0.00 H new ATOM 818 N THR A 55 -11.033 0.429 -5.183 1.00 0.00 N ATOM 819 CA THR A 55 -10.187 -0.714 -5.289 1.00 0.00 C ATOM 820 C THR A 55 -9.428 -0.803 -3.980 1.00 0.00 C ATOM 821 O THR A 55 -8.923 0.221 -3.493 1.00 0.00 O ATOM 822 CB THR A 55 -9.213 -0.511 -6.460 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.972 -0.134 -7.635 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.447 -1.786 -6.753 1.00 0.00 C ATOM 0 H THR A 55 -10.607 1.284 -5.541 1.00 0.00 H new ATOM 0 HA THR A 55 -10.752 -1.628 -5.473 1.00 0.00 H new ATOM 0 HB THR A 55 -8.499 0.269 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.361 0.000 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.764 -1.617 -7.586 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.878 -2.079 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.147 -2.580 -7.013 1.00 0.00 H new ATOM 832 N VAL A 56 -9.350 -1.974 -3.397 1.00 0.00 N ATOM 833 CA VAL A 56 -8.810 -2.060 -2.071 1.00 0.00 C ATOM 834 C VAL A 56 -7.361 -1.919 -1.971 1.00 0.00 C ATOM 835 O VAL A 56 -6.934 -0.939 -1.376 1.00 0.00 O ATOM 836 CB VAL A 56 -9.194 -3.285 -1.269 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.701 -3.129 0.166 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.628 -3.430 -1.265 1.00 0.00 C ATOM 0 H VAL A 56 -9.646 -2.858 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.295 -1.187 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.739 -4.167 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.977 -4.011 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.617 -3.019 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.156 -2.245 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.903 -4.312 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.082 -2.546 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.985 -3.541 -2.289 1.00 0.00 H new ATOM 848 N PRO A 57 -6.512 -2.849 -2.542 1.00 0.00 N ATOM 849 CA PRO A 57 -5.152 -2.870 -2.153 1.00 0.00 C ATOM 850 C PRO A 57 -4.301 -1.775 -2.839 1.00 0.00 C ATOM 851 O PRO A 57 -3.225 -2.026 -3.401 1.00 0.00 O ATOM 852 CB PRO A 57 -4.684 -4.245 -2.510 1.00 0.00 C ATOM 853 CG PRO A 57 -5.402 -4.522 -3.781 1.00 0.00 C ATOM 854 CD PRO A 57 -6.761 -3.872 -3.621 1.00 0.00 C ATOM 0 HA PRO A 57 -5.043 -2.652 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.603 -4.282 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.937 -4.971 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.866 -4.107 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.496 -5.594 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.100 -3.409 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.523 -4.594 -3.327 1.00 0.00 H new ATOM 862 N THR A 58 -4.798 -0.621 -2.757 1.00 0.00 N ATOM 863 CA THR A 58 -4.227 0.546 -3.223 1.00 0.00 C ATOM 864 C THR A 58 -3.197 0.957 -2.165 1.00 0.00 C ATOM 865 O THR A 58 -3.451 0.831 -0.957 1.00 0.00 O ATOM 866 CB THR A 58 -5.384 1.573 -3.342 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.363 1.075 -4.292 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.910 2.944 -3.788 1.00 0.00 C ATOM 0 H THR A 58 -5.704 -0.459 -2.318 1.00 0.00 H new ATOM 0 HA THR A 58 -3.732 0.460 -4.190 1.00 0.00 H new ATOM 0 HB THR A 58 -5.821 1.688 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.190 0.844 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.762 3.620 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.192 3.334 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.434 2.864 -4.765 1.00 0.00 H new ATOM 876 N VAL A 59 -2.046 1.359 -2.594 1.00 0.00 N ATOM 877 CA VAL A 59 -0.987 1.661 -1.678 1.00 0.00 C ATOM 878 C VAL A 59 -0.461 3.070 -1.923 1.00 0.00 C ATOM 879 O VAL A 59 -0.504 3.573 -3.046 1.00 0.00 O ATOM 880 CB VAL A 59 0.167 0.611 -1.807 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.813 0.680 -3.159 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.192 0.739 -0.690 1.00 0.00 C ATOM 0 H VAL A 59 -1.811 1.488 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.381 1.611 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.285 -0.375 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.611 -0.060 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.069 0.475 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.230 1.675 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.972 -0.011 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.637 1.734 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.703 0.586 0.272 1.00 0.00 H new ATOM 892 N LYS A 60 -0.014 3.689 -0.879 1.00 0.00 N ATOM 893 CA LYS A 60 0.558 4.992 -0.912 1.00 0.00 C ATOM 894 C LYS A 60 1.918 4.926 -0.229 1.00 0.00 C ATOM 895 O LYS A 60 2.024 4.526 0.927 1.00 0.00 O ATOM 896 CB LYS A 60 -0.392 5.981 -0.213 1.00 0.00 C ATOM 897 CG LYS A 60 0.088 7.410 -0.120 1.00 0.00 C ATOM 898 CD LYS A 60 -1.033 8.288 0.412 1.00 0.00 C ATOM 899 CE LYS A 60 -0.609 9.728 0.550 1.00 0.00 C ATOM 900 NZ LYS A 60 0.390 9.914 1.621 1.00 0.00 N ATOM 0 H LYS A 60 -0.039 3.283 0.056 1.00 0.00 H new ATOM 0 HA LYS A 60 0.698 5.341 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.345 5.973 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.584 5.617 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.955 7.471 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.406 7.763 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.891 8.226 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.358 7.912 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.194 10.075 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.483 10.344 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.564 10.930 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.032 9.499 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.278 9.444 1.353 1.00 0.00 H new ATOM 914 N PHE A 61 2.947 5.250 -0.961 1.00 0.00 N ATOM 915 CA PHE A 61 4.307 5.206 -0.448 1.00 0.00 C ATOM 916 C PHE A 61 4.662 6.511 0.209 1.00 0.00 C ATOM 917 O PHE A 61 4.045 7.535 -0.080 1.00 0.00 O ATOM 918 CB PHE A 61 5.314 4.920 -1.584 1.00 0.00 C ATOM 919 CG PHE A 61 5.220 3.538 -2.158 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.221 3.204 -3.050 1.00 0.00 C ATOM 921 CD2 PHE A 61 6.120 2.563 -1.779 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.127 1.931 -3.551 1.00 0.00 C ATOM 923 CE2 PHE A 61 6.028 1.286 -2.275 1.00 0.00 C ATOM 924 CZ PHE A 61 5.026 0.966 -3.166 1.00 0.00 C ATOM 0 H PHE A 61 2.877 5.554 -1.932 1.00 0.00 H new ATOM 0 HA PHE A 61 4.360 4.402 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.157 5.644 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.324 5.076 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.506 3.953 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.908 2.808 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.343 1.686 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.739 0.534 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.948 -0.037 -3.559 1.00 0.00 H new ATOM 934 N ALA A 62 5.704 6.481 1.049 1.00 0.00 N ATOM 935 CA ALA A 62 6.244 7.681 1.733 1.00 0.00 C ATOM 936 C ALA A 62 6.764 8.728 0.725 1.00 0.00 C ATOM 937 O ALA A 62 7.106 9.858 1.084 1.00 0.00 O ATOM 938 CB ALA A 62 7.363 7.272 2.681 1.00 0.00 C ATOM 0 H ALA A 62 6.205 5.623 1.280 1.00 0.00 H new ATOM 0 HA ALA A 62 5.432 8.139 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.757 8.156 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.974 6.577 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.160 6.789 2.116 1.00 0.00 H new ATOM 944 N ASP A 63 6.850 8.316 -0.529 1.00 0.00 N ATOM 945 CA ASP A 63 7.238 9.182 -1.637 1.00 0.00 C ATOM 946 C ASP A 63 6.054 10.071 -2.043 1.00 0.00 C ATOM 947 O ASP A 63 6.219 11.125 -2.649 1.00 0.00 O ATOM 948 CB ASP A 63 7.669 8.304 -2.826 1.00 0.00 C ATOM 949 CG ASP A 63 7.994 9.083 -4.086 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.070 9.696 -4.164 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.185 9.054 -5.038 1.00 0.00 O ATOM 0 H ASP A 63 6.650 7.357 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 63 8.067 9.822 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.544 7.722 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.872 7.593 -3.046 1.00 0.00 H new ATOM 956 N GLY A 64 4.862 9.666 -1.643 1.00 0.00 N ATOM 957 CA GLY A 64 3.664 10.406 -1.978 1.00 0.00 C ATOM 958 C GLY A 64 2.903 9.773 -3.122 1.00 0.00 C ATOM 959 O GLY A 64 1.742 10.112 -3.381 1.00 0.00 O ATOM 0 H GLY A 64 4.700 8.827 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.018 10.464 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.933 11.428 -2.244 1.00 0.00 H new ATOM 963 N SER A 65 3.549 8.857 -3.795 1.00 0.00 N ATOM 964 CA SER A 65 2.974 8.178 -4.934 1.00 0.00 C ATOM 965 C SER A 65 2.064 7.020 -4.511 1.00 0.00 C ATOM 966 O SER A 65 2.329 6.335 -3.506 1.00 0.00 O ATOM 967 CB SER A 65 4.091 7.679 -5.829 1.00 0.00 C ATOM 968 OG SER A 65 4.913 8.768 -6.231 1.00 0.00 O ATOM 0 H SER A 65 4.497 8.556 -3.569 1.00 0.00 H new ATOM 0 HA SER A 65 2.351 8.887 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.689 6.937 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.673 7.185 -6.706 1.00 0.00 H new ATOM 0 HG SER A 65 5.521 9.006 -5.500 1.00 0.00 H new ATOM 974 N THR A 66 0.998 6.831 -5.257 1.00 0.00 N ATOM 975 CA THR A 66 0.049 5.779 -5.012 1.00 0.00 C ATOM 976 C THR A 66 0.064 4.770 -6.163 1.00 0.00 C ATOM 977 O THR A 66 0.330 5.136 -7.313 1.00 0.00 O ATOM 978 CB THR A 66 -1.381 6.364 -4.880 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.646 7.247 -5.987 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.555 7.121 -3.572 1.00 0.00 C ATOM 0 H THR A 66 0.767 7.415 -6.061 1.00 0.00 H new ATOM 0 HA THR A 66 0.329 5.280 -4.084 1.00 0.00 H new ATOM 0 HB THR A 66 -2.087 5.534 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.551 7.614 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.569 7.517 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.380 6.445 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.841 7.943 -3.530 1.00 0.00 H new ATOM 988 N LEU A 67 -0.196 3.522 -5.855 1.00 0.00 N ATOM 989 CA LEU A 67 -0.312 2.481 -6.866 1.00 0.00 C ATOM 990 C LEU A 67 -1.589 1.708 -6.637 1.00 0.00 C ATOM 991 O LEU A 67 -1.925 1.384 -5.490 1.00 0.00 O ATOM 992 CB LEU A 67 0.878 1.488 -6.858 1.00 0.00 C ATOM 993 CG LEU A 67 2.287 2.019 -7.166 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.280 0.863 -7.231 1.00 0.00 C ATOM 995 CD2 LEU A 67 2.325 2.814 -8.470 1.00 0.00 C ATOM 0 H LEU A 67 -0.334 3.193 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.314 2.979 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.910 1.019 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.657 0.702 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 67 2.567 2.696 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.275 1.250 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.296 0.342 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.980 0.169 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.339 3.171 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.014 2.174 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.649 3.666 -8.397 1.00 0.00 H new ATOM 1007 N THR A 68 -2.296 1.436 -7.698 1.00 0.00 N ATOM 1008 CA THR A 68 -3.496 0.645 -7.634 1.00 0.00 C ATOM 1009 C THR A 68 -3.151 -0.783 -8.090 1.00 0.00 C ATOM 1010 O THR A 68 -2.689 -0.979 -9.218 1.00 0.00 O ATOM 1011 CB THR A 68 -4.607 1.251 -8.534 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.869 2.617 -8.136 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.897 0.447 -8.425 1.00 0.00 C ATOM 0 H THR A 68 -2.056 1.757 -8.636 1.00 0.00 H new ATOM 0 HA THR A 68 -3.877 0.632 -6.613 1.00 0.00 H new ATOM 0 HB THR A 68 -4.259 1.222 -9.567 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.569 2.996 -8.707 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.659 0.893 -9.065 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.713 -0.580 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.243 0.453 -7.391 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.327 -1.743 -7.187 1.00 0.00 N ATOM 1022 CA ASN A 69 -3.014 -3.177 -7.415 1.00 0.00 C ATOM 1023 C ASN A 69 -1.542 -3.399 -7.790 1.00 0.00 C ATOM 1024 O ASN A 69 -1.230 -3.705 -8.947 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.915 -3.843 -8.489 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.388 -3.887 -8.146 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.775 -3.944 -6.984 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.217 -3.861 -9.159 1.00 0.00 N ATOM 0 H ASN A 69 -3.697 -1.558 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.219 -3.656 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.792 -3.306 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.565 -4.862 -8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.223 -3.888 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.856 -3.813 -10.112 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.605 -3.160 -6.867 1.00 0.00 N ATOM 1036 CA PRO A 70 0.801 -3.416 -7.121 1.00 0.00 C ATOM 1037 C PRO A 70 1.199 -4.861 -6.764 1.00 0.00 C ATOM 1038 O PRO A 70 0.537 -5.536 -5.966 1.00 0.00 O ATOM 1039 CB PRO A 70 1.476 -2.446 -6.167 1.00 0.00 C ATOM 1040 CG PRO A 70 0.587 -2.466 -4.978 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.809 -2.564 -5.523 1.00 0.00 C ATOM 0 HA PRO A 70 1.070 -3.292 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.488 -2.765 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.553 -1.447 -6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.816 -3.313 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.712 -1.564 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.443 -3.191 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.287 -1.587 -5.584 1.00 0.00 H new ATOM 1049 N SER A 71 2.256 -5.315 -7.350 1.00 0.00 N ATOM 1050 CA SER A 71 2.791 -6.595 -7.051 1.00 0.00 C ATOM 1051 C SER A 71 3.699 -6.461 -5.830 1.00 0.00 C ATOM 1052 O SER A 71 4.300 -5.393 -5.615 1.00 0.00 O ATOM 1053 CB SER A 71 3.556 -7.127 -8.275 1.00 0.00 C ATOM 1054 OG SER A 71 4.561 -6.218 -8.706 1.00 0.00 O ATOM 0 H SER A 71 2.777 -4.799 -8.059 1.00 0.00 H new ATOM 0 HA SER A 71 1.999 -7.308 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.014 -8.085 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.856 -7.308 -9.091 1.00 0.00 H new ATOM 0 HG SER A 71 5.027 -6.590 -9.484 1.00 0.00 H new ATOM 1060 N ALA A 72 3.801 -7.519 -5.031 1.00 0.00 N ATOM 1061 CA ALA A 72 4.618 -7.509 -3.818 1.00 0.00 C ATOM 1062 C ALA A 72 6.070 -7.252 -4.164 1.00 0.00 C ATOM 1063 O ALA A 72 6.792 -6.591 -3.415 1.00 0.00 O ATOM 1064 CB ALA A 72 4.476 -8.822 -3.064 1.00 0.00 C ATOM 0 H ALA A 72 3.323 -8.404 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 72 4.266 -6.704 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.092 -8.794 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.433 -8.970 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.801 -9.644 -3.701 1.00 0.00 H new ATOM 1070 N ASP A 73 6.468 -7.740 -5.331 1.00 0.00 N ATOM 1071 CA ASP A 73 7.815 -7.548 -5.839 1.00 0.00 C ATOM 1072 C ASP A 73 8.099 -6.084 -6.046 1.00 0.00 C ATOM 1073 O ASP A 73 9.111 -5.574 -5.555 1.00 0.00 O ATOM 1074 CB ASP A 73 8.052 -8.319 -7.140 1.00 0.00 C ATOM 1075 CG ASP A 73 8.036 -9.813 -6.952 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.088 -10.398 -6.578 1.00 0.00 O ATOM 1077 OD2 ASP A 73 6.978 -10.444 -7.181 1.00 0.00 O ATOM 0 H ASP A 73 5.864 -8.280 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 73 8.501 -7.943 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.286 -8.042 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.012 -8.022 -7.562 1.00 0.00 H new ATOM 1082 N GLU A 74 7.189 -5.384 -6.735 1.00 0.00 N ATOM 1083 CA GLU A 74 7.378 -3.967 -6.946 1.00 0.00 C ATOM 1084 C GLU A 74 7.335 -3.210 -5.660 1.00 0.00 C ATOM 1085 O GLU A 74 8.142 -2.341 -5.460 1.00 0.00 O ATOM 1086 CB GLU A 74 6.410 -3.329 -7.934 1.00 0.00 C ATOM 1087 CG GLU A 74 6.610 -3.736 -9.374 1.00 0.00 C ATOM 1088 CD GLU A 74 6.084 -2.675 -10.310 1.00 0.00 C ATOM 1089 OE1 GLU A 74 6.728 -1.608 -10.430 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.021 -2.859 -10.920 1.00 0.00 O ATOM 0 H GLU A 74 6.339 -5.775 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 74 8.370 -3.899 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.392 -3.583 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.502 -2.245 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.670 -3.903 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.099 -4.680 -9.564 1.00 0.00 H new ATOM 1097 N VAL A 75 6.405 -3.555 -4.778 1.00 0.00 N ATOM 1098 CA VAL A 75 6.286 -2.852 -3.501 1.00 0.00 C ATOM 1099 C VAL A 75 7.596 -2.928 -2.721 1.00 0.00 C ATOM 1100 O VAL A 75 8.080 -1.927 -2.217 1.00 0.00 O ATOM 1101 CB VAL A 75 5.114 -3.373 -2.624 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.069 -2.646 -1.290 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.796 -3.196 -3.342 1.00 0.00 C ATOM 0 H VAL A 75 5.729 -4.306 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 75 6.064 -1.813 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 75 5.282 -4.434 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.240 -3.029 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.005 -2.808 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.930 -1.579 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.986 -3.566 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.636 -2.139 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.813 -3.755 -4.278 1.00 0.00 H new ATOM 1113 N LYS A 76 8.180 -4.105 -2.686 1.00 0.00 N ATOM 1114 CA LYS A 76 9.431 -4.318 -1.992 1.00 0.00 C ATOM 1115 C LYS A 76 10.579 -3.541 -2.662 1.00 0.00 C ATOM 1116 O LYS A 76 11.358 -2.862 -1.980 1.00 0.00 O ATOM 1117 CB LYS A 76 9.724 -5.818 -1.921 1.00 0.00 C ATOM 1118 CG LYS A 76 11.008 -6.192 -1.214 1.00 0.00 C ATOM 1119 CD LYS A 76 11.133 -7.694 -1.118 1.00 0.00 C ATOM 1120 CE LYS A 76 12.381 -8.101 -0.374 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.473 -9.566 -0.231 1.00 0.00 N ATOM 0 H LYS A 76 7.803 -4.939 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 76 9.346 -3.934 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.893 -6.310 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.759 -6.213 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.862 -5.783 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.023 -5.754 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.258 -8.101 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.150 -8.123 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.259 -7.731 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.385 -7.637 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.233 -9.802 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.570 -9.937 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.681 -9.993 -1.156 1.00 0.00 H new ATOM 1135 N ALA A 77 10.646 -3.604 -3.985 1.00 0.00 N ATOM 1136 CA ALA A 77 11.689 -2.906 -4.741 1.00 0.00 C ATOM 1137 C ALA A 77 11.518 -1.377 -4.665 1.00 0.00 C ATOM 1138 O ALA A 77 12.489 -0.626 -4.692 1.00 0.00 O ATOM 1139 CB ALA A 77 11.697 -3.367 -6.190 1.00 0.00 C ATOM 0 H ALA A 77 9.991 -4.131 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 77 12.648 -3.156 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.478 -2.838 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.889 -4.439 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.729 -3.155 -6.645 1.00 0.00 H new ATOM 1145 N LYS A 78 10.295 -0.921 -4.575 1.00 0.00 N ATOM 1146 CA LYS A 78 10.042 0.498 -4.439 1.00 0.00 C ATOM 1147 C LYS A 78 10.325 0.925 -3.005 1.00 0.00 C ATOM 1148 O LYS A 78 10.885 1.987 -2.781 1.00 0.00 O ATOM 1149 CB LYS A 78 8.600 0.863 -4.850 1.00 0.00 C ATOM 1150 CG LYS A 78 8.238 0.537 -6.296 1.00 0.00 C ATOM 1151 CD LYS A 78 8.990 1.389 -7.293 1.00 0.00 C ATOM 1152 CE LYS A 78 8.807 0.857 -8.718 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.381 0.750 -9.122 1.00 0.00 N ATOM 0 H LYS A 78 9.459 -1.505 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 78 10.708 1.036 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.907 0.339 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.451 1.930 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.449 -0.514 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.167 0.679 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.636 2.418 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.050 1.402 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.327 1.515 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.275 -0.124 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.160 -0.239 -9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.774 1.065 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.210 1.349 -9.955 1.00 0.00 H new ATOM 1167 N LEU A 79 9.971 0.068 -2.043 1.00 0.00 N ATOM 1168 CA LEU A 79 10.192 0.339 -0.619 1.00 0.00 C ATOM 1169 C LEU A 79 11.665 0.585 -0.359 1.00 0.00 C ATOM 1170 O LEU A 79 12.038 1.570 0.280 1.00 0.00 O ATOM 1171 CB LEU A 79 9.765 -0.847 0.263 1.00 0.00 C ATOM 1172 CG LEU A 79 9.816 -0.607 1.778 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.622 0.208 2.278 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.964 -1.908 2.536 1.00 0.00 C ATOM 0 H LEU A 79 9.525 -0.830 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 79 9.592 1.214 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.747 -1.128 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.404 -1.698 0.028 1.00 0.00 H new ATOM 0 HG LEU A 79 10.704 -0.007 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.704 0.351 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.612 1.179 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.698 -0.324 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.997 -1.704 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.115 -2.556 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.886 -2.403 2.232 1.00 0.00 H new ATOM 1186 N VAL A 80 12.497 -0.304 -0.887 1.00 0.00 N ATOM 1187 CA VAL A 80 13.928 -0.238 -0.664 1.00 0.00 C ATOM 1188 C VAL A 80 14.545 1.057 -1.179 1.00 0.00 C ATOM 1189 O VAL A 80 15.475 1.594 -0.561 1.00 0.00 O ATOM 1190 CB VAL A 80 14.700 -1.485 -1.195 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.242 -2.747 -0.498 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.584 -1.629 -2.690 1.00 0.00 C ATOM 0 H VAL A 80 12.199 -1.082 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 80 14.042 -0.244 0.420 1.00 0.00 H new ATOM 0 HB VAL A 80 15.754 -1.328 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.797 -3.600 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.421 -2.657 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.177 -2.895 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.137 -2.510 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.535 -1.737 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.996 -0.744 -3.174 1.00 0.00 H new ATOM 1202 N LYS A 81 14.035 1.566 -2.287 1.00 0.00 N ATOM 1203 CA LYS A 81 14.547 2.800 -2.830 1.00 0.00 C ATOM 1204 C LYS A 81 13.950 4.042 -2.134 1.00 0.00 C ATOM 1205 O LYS A 81 14.666 5.005 -1.861 1.00 0.00 O ATOM 1206 CB LYS A 81 14.387 2.880 -4.356 1.00 0.00 C ATOM 1207 CG LYS A 81 12.957 2.958 -4.858 1.00 0.00 C ATOM 1208 CD LYS A 81 12.897 3.195 -6.358 1.00 0.00 C ATOM 1209 CE LYS A 81 13.546 4.523 -6.729 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.475 4.793 -8.165 1.00 0.00 N ATOM 0 H LYS A 81 13.274 1.145 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 81 15.617 2.799 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.928 3.755 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.863 2.006 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.436 2.032 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.434 3.763 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.402 2.382 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.859 3.189 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.055 5.330 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.589 4.516 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.929 5.706 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.966 4.038 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.479 4.827 -8.463 1.00 0.00 H new ATOM 1224 N ILE A 82 12.642 4.008 -1.822 1.00 0.00 N ATOM 1225 CA ILE A 82 11.971 5.180 -1.236 1.00 0.00 C ATOM 1226 C ILE A 82 12.315 5.385 0.227 1.00 0.00 C ATOM 1227 O ILE A 82 12.016 6.422 0.805 1.00 0.00 O ATOM 1228 CB ILE A 82 10.412 5.245 -1.492 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.609 4.050 -0.897 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.124 5.369 -2.978 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.409 4.063 0.611 1.00 0.00 C ATOM 0 H ILE A 82 12.039 3.198 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 82 12.384 6.025 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 82 10.069 6.133 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.629 4.024 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.119 3.125 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.047 5.413 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.585 6.279 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.534 4.505 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.838 3.184 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.380 4.051 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.866 4.964 0.898 1.00 0.00 H new ATOM 1243 N ALA A 83 12.928 4.390 0.822 1.00 0.00 N ATOM 1244 CA ALA A 83 13.365 4.484 2.197 1.00 0.00 C ATOM 1245 C ALA A 83 14.722 5.190 2.289 1.00 0.00 C ATOM 1246 O ALA A 83 15.304 5.303 3.370 1.00 0.00 O ATOM 1247 CB ALA A 83 13.429 3.104 2.827 1.00 0.00 C ATOM 0 H ALA A 83 13.137 3.499 0.372 1.00 0.00 H new ATOM 0 HA ALA A 83 12.639 5.080 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.760 3.191 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.441 2.645 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.133 2.483 2.273 1.00 0.00 H new