USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 69 LYS NZ :NH3+ -168:sc= 0.785 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.391! C(o=1.2!,f=-7.5!) USER MOD Set 2.1: A 45 THR OG1 : rot -72:sc= 0.951 USER MOD Set 2.2: A 46 THR OG1 : rot -142:sc= 1.6 USER MOD Set 3.1: A 27 GLN : amide:sc= 0.757 K(o=1.4,f=-0.39) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.656 K(o=1.4,f=-0.7) USER MOD Set 4.1: A 17 LYS NZ :NH3+ 158:sc= 0.229 (180deg=-0.0942) USER MOD Set 4.2: A 18 GLN : amide:sc= 0.32 K(o=0.55,f=-1.9) USER MOD Single : A 11 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -126:sc= 0.48 USER MOD Single : A 34 MET CE :methyl 172:sc= -1.02 (180deg=-1.29) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0696) USER MOD Single : A 38 TYR OH : rot 55:sc= 1.24 USER MOD Single : A 40 ASN : amide:sc= 0.634 K(o=0.63,f=-0.08) USER MOD Single : A 43 SER OG : rot 55:sc= 0.212 USER MOD Single : A 48 SER OG : rot 79:sc= 0.945 USER MOD Single : A 54 ASN : amide:sc= 0.832 K(o=0.83,f=-5.4!) USER MOD Single : A 56 SER OG : rot 64:sc= 0.803 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.456! X(o=-0.46!,f=-0.32) USER MOD Single : A 60 MET CE :methyl 147:sc= -1.38 (180deg=-3.93!) USER MOD Single : A 61 CYS SG : rot -29:sc= 0.211 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 1.11 (180deg=1) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00553 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 2.707 5.155 -2.333 1.00 0.00 N ATOM 2 CA ASP A 5 2.544 6.059 -1.207 1.00 0.00 C ATOM 3 C ASP A 5 3.789 5.997 -0.313 1.00 0.00 C ATOM 4 O ASP A 5 4.586 5.063 -0.430 1.00 0.00 O ATOM 5 CB ASP A 5 1.250 5.699 -0.461 1.00 0.00 C ATOM 6 CG ASP A 5 0.760 6.777 0.505 1.00 0.00 C ATOM 7 OD1 ASP A 5 1.384 7.862 0.539 1.00 0.00 O ATOM 8 OD2 ASP A 5 -0.251 6.504 1.186 1.00 0.00 O ATOM 0 HA ASP A 5 2.450 7.091 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.467 5.500 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.410 4.775 0.095 1.00 0.00 H new ATOM 15 N LEU A 6 3.967 7.006 0.550 1.00 0.00 N ATOM 16 CA LEU A 6 5.167 7.268 1.343 1.00 0.00 C ATOM 17 C LEU A 6 5.756 6.002 1.968 1.00 0.00 C ATOM 18 O LEU A 6 6.973 5.836 1.961 1.00 0.00 O ATOM 19 CB LEU A 6 4.883 8.320 2.428 1.00 0.00 C ATOM 20 CG LEU A 6 4.923 9.769 1.908 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.723 10.131 1.025 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.967 10.730 3.102 1.00 0.00 C ATOM 0 H LEU A 6 3.236 7.697 0.720 1.00 0.00 H new ATOM 0 HA LEU A 6 5.916 7.657 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.902 8.126 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.614 8.210 3.229 1.00 0.00 H new ATOM 0 HG LEU A 6 5.816 9.858 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.814 11.165 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.698 9.472 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.802 10.013 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.995 11.758 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.079 10.586 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.858 10.530 3.697 1.00 0.00 H new ATOM 34 N GLU A 7 4.896 5.114 2.474 1.00 0.00 N ATOM 35 CA GLU A 7 5.238 3.806 3.024 1.00 0.00 C ATOM 36 C GLU A 7 6.322 3.091 2.206 1.00 0.00 C ATOM 37 O GLU A 7 7.226 2.479 2.775 1.00 0.00 O ATOM 38 CB GLU A 7 3.987 2.917 3.115 1.00 0.00 C ATOM 39 CG GLU A 7 2.850 3.527 3.951 1.00 0.00 C ATOM 40 CD GLU A 7 1.889 4.364 3.109 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.207 5.556 2.906 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.878 3.788 2.656 1.00 0.00 O ATOM 0 H GLU A 7 3.894 5.300 2.512 1.00 0.00 H new ATOM 0 HA GLU A 7 5.639 3.980 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.619 2.720 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.267 1.956 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.295 2.728 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.276 4.150 4.738 1.00 0.00 H new ATOM 49 N GLU A 8 6.224 3.148 0.877 1.00 0.00 N ATOM 50 CA GLU A 8 7.180 2.528 -0.028 1.00 0.00 C ATOM 51 C GLU A 8 8.480 3.340 -0.064 1.00 0.00 C ATOM 52 O GLU A 8 9.574 2.789 0.047 1.00 0.00 O ATOM 53 CB GLU A 8 6.558 2.432 -1.425 1.00 0.00 C ATOM 54 CG GLU A 8 5.284 1.577 -1.434 1.00 0.00 C ATOM 55 CD GLU A 8 4.594 1.664 -2.788 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.054 2.756 -3.068 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.636 0.653 -3.521 1.00 0.00 O ATOM 0 H GLU A 8 5.466 3.634 0.397 1.00 0.00 H new ATOM 0 HA GLU A 8 7.421 1.525 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.324 3.433 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.285 2.005 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.534 0.539 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.606 1.916 -0.651 1.00 0.00 H new ATOM 64 N LEU A 9 8.364 4.657 -0.245 1.00 0.00 N ATOM 65 CA LEU A 9 9.494 5.557 -0.354 1.00 0.00 C ATOM 66 C LEU A 9 10.365 5.499 0.898 1.00 0.00 C ATOM 67 O LEU A 9 11.580 5.420 0.761 1.00 0.00 O ATOM 68 CB LEU A 9 8.981 6.979 -0.600 1.00 0.00 C ATOM 69 CG LEU A 9 8.306 7.200 -1.965 1.00 0.00 C ATOM 70 CD1 LEU A 9 9.276 6.952 -3.124 1.00 0.00 C ATOM 71 CD2 LEU A 9 7.015 6.429 -2.235 1.00 0.00 C ATOM 0 H LEU A 9 7.462 5.128 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 9 10.116 5.249 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.270 7.233 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.818 7.672 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 9 8.012 8.248 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.762 7.118 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.120 7.637 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.637 5.924 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.645 6.676 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.212 5.358 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.266 6.702 -1.491 1.00 0.00 H new ATOM 83 N GLU A 10 9.785 5.530 2.103 1.00 0.00 N ATOM 84 CA GLU A 10 10.579 5.511 3.330 1.00 0.00 C ATOM 85 C GLU A 10 11.475 4.279 3.383 1.00 0.00 C ATOM 86 O GLU A 10 12.701 4.388 3.445 1.00 0.00 O ATOM 87 CB GLU A 10 9.711 5.634 4.594 1.00 0.00 C ATOM 88 CG GLU A 10 8.543 4.657 4.760 1.00 0.00 C ATOM 89 CD GLU A 10 7.619 5.119 5.881 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.897 4.736 7.037 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.663 5.860 5.561 1.00 0.00 O ATOM 0 H GLU A 10 8.777 5.568 2.251 1.00 0.00 H new ATOM 0 HA GLU A 10 11.220 6.393 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.364 5.525 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.307 6.646 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.985 4.585 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.923 3.660 4.981 1.00 0.00 H new ATOM 98 N GLN A 11 10.852 3.103 3.359 1.00 0.00 N ATOM 99 CA GLN A 11 11.581 1.847 3.409 1.00 0.00 C ATOM 100 C GLN A 11 12.588 1.774 2.260 1.00 0.00 C ATOM 101 O GLN A 11 13.750 1.457 2.495 1.00 0.00 O ATOM 102 CB GLN A 11 10.635 0.638 3.496 1.00 0.00 C ATOM 103 CG GLN A 11 9.811 0.389 2.230 1.00 0.00 C ATOM 104 CD GLN A 11 8.762 -0.692 2.455 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.015 -1.871 2.235 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.572 -0.298 2.896 1.00 0.00 N ATOM 0 H GLN A 11 9.839 2.998 3.305 1.00 0.00 H new ATOM 0 HA GLN A 11 12.161 1.809 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.223 -0.254 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.955 0.784 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.323 1.314 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.472 0.093 1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.394 0.691 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.836 -0.985 3.061 1.00 0.00 H new ATOM 115 N PHE A 12 12.177 2.114 1.033 1.00 0.00 N ATOM 116 CA PHE A 12 13.083 2.149 -0.110 1.00 0.00 C ATOM 117 C PHE A 12 14.297 3.040 0.177 1.00 0.00 C ATOM 118 O PHE A 12 15.428 2.632 -0.065 1.00 0.00 O ATOM 119 CB PHE A 12 12.333 2.604 -1.371 1.00 0.00 C ATOM 120 CG PHE A 12 13.235 2.852 -2.566 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.874 4.099 -2.690 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.504 1.834 -3.500 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.859 4.290 -3.675 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.419 2.062 -4.547 1.00 0.00 C ATOM 125 CZ PHE A 12 15.121 3.280 -4.614 1.00 0.00 C ATOM 0 H PHE A 12 11.215 2.370 0.810 1.00 0.00 H new ATOM 0 HA PHE A 12 13.458 1.141 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.595 1.847 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.785 3.519 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.608 4.910 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.009 0.878 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.415 5.215 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.582 1.303 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.860 3.437 -5.386 1.00 0.00 H new ATOM 135 N ALA A 13 14.072 4.256 0.681 1.00 0.00 N ATOM 136 CA ALA A 13 15.106 5.247 0.943 1.00 0.00 C ATOM 137 C ALA A 13 16.083 4.733 1.997 1.00 0.00 C ATOM 138 O ALA A 13 17.297 4.725 1.794 1.00 0.00 O ATOM 139 CB ALA A 13 14.454 6.559 1.391 1.00 0.00 C ATOM 0 H ALA A 13 13.137 4.583 0.923 1.00 0.00 H new ATOM 0 HA ALA A 13 15.670 5.430 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.228 7.301 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.792 6.923 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.877 6.387 2.300 1.00 0.00 H new ATOM 145 N LYS A 14 15.552 4.272 3.128 1.00 0.00 N ATOM 146 CA LYS A 14 16.359 3.688 4.191 1.00 0.00 C ATOM 147 C LYS A 14 17.164 2.508 3.635 1.00 0.00 C ATOM 148 O LYS A 14 18.371 2.395 3.849 1.00 0.00 O ATOM 149 CB LYS A 14 15.442 3.289 5.349 1.00 0.00 C ATOM 150 CG LYS A 14 14.839 4.553 5.981 1.00 0.00 C ATOM 151 CD LYS A 14 13.753 4.172 6.986 1.00 0.00 C ATOM 152 CE LYS A 14 13.100 5.433 7.563 1.00 0.00 C ATOM 153 NZ LYS A 14 11.995 5.098 8.478 1.00 0.00 N ATOM 0 H LYS A 14 14.553 4.294 3.330 1.00 0.00 H new ATOM 0 HA LYS A 14 17.079 4.410 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.648 2.634 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.004 2.728 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.620 5.128 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.418 5.192 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.999 3.553 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.185 3.576 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.848 6.021 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.725 6.054 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.575 5.974 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.270 4.558 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.359 4.526 9.267 1.00 0.00 H new ATOM 167 N THR A 15 16.505 1.654 2.857 1.00 0.00 N ATOM 168 CA THR A 15 17.170 0.543 2.192 1.00 0.00 C ATOM 169 C THR A 15 18.192 1.061 1.174 1.00 0.00 C ATOM 170 O THR A 15 19.214 0.419 0.970 1.00 0.00 O ATOM 171 CB THR A 15 16.150 -0.434 1.591 1.00 0.00 C ATOM 172 OG1 THR A 15 15.221 -0.810 2.585 1.00 0.00 O ATOM 173 CG2 THR A 15 16.804 -1.730 1.105 1.00 0.00 C ATOM 0 H THR A 15 15.504 1.713 2.672 1.00 0.00 H new ATOM 0 HA THR A 15 17.731 -0.030 2.931 1.00 0.00 H new ATOM 0 HB THR A 15 15.682 0.080 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.588 -0.077 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.042 -2.388 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.543 -1.499 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.294 -2.227 1.943 1.00 0.00 H new ATOM 181 N PHE A 16 17.964 2.210 0.531 1.00 0.00 N ATOM 182 CA PHE A 16 18.921 2.815 -0.384 1.00 0.00 C ATOM 183 C PHE A 16 20.187 3.187 0.382 1.00 0.00 C ATOM 184 O PHE A 16 21.285 2.836 -0.040 1.00 0.00 O ATOM 185 CB PHE A 16 18.313 4.004 -1.143 1.00 0.00 C ATOM 186 CG PHE A 16 19.250 4.537 -2.205 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.257 5.455 -1.855 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.232 3.972 -3.490 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.242 5.808 -2.794 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.205 4.341 -4.435 1.00 0.00 C ATOM 191 CZ PHE A 16 21.205 5.267 -4.090 1.00 0.00 C ATOM 0 H PHE A 16 17.102 2.746 0.635 1.00 0.00 H new ATOM 0 HA PHE A 16 19.190 2.089 -1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.376 3.697 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.074 4.800 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.273 5.888 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.470 3.253 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 16 22.028 6.496 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.184 3.913 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.944 5.562 -4.820 1.00 0.00 H new ATOM 201 N LYS A 17 20.039 3.852 1.531 1.00 0.00 N ATOM 202 CA LYS A 17 21.161 4.100 2.430 1.00 0.00 C ATOM 203 C LYS A 17 21.892 2.787 2.743 1.00 0.00 C ATOM 204 O LYS A 17 23.107 2.696 2.568 1.00 0.00 O ATOM 205 CB LYS A 17 20.669 4.836 3.687 1.00 0.00 C ATOM 206 CG LYS A 17 21.683 4.819 4.837 1.00 0.00 C ATOM 207 CD LYS A 17 21.196 5.725 5.975 1.00 0.00 C ATOM 208 CE LYS A 17 22.084 5.586 7.218 1.00 0.00 C ATOM 209 NZ LYS A 17 21.910 4.277 7.877 1.00 0.00 N ATOM 0 H LYS A 17 19.149 4.228 1.858 1.00 0.00 H new ATOM 0 HA LYS A 17 21.890 4.751 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.441 5.870 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.739 4.380 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.815 3.801 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.656 5.158 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.194 6.763 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.167 5.471 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.129 5.713 6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.847 6.382 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.748 4.065 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.067 4.304 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.792 3.538 7.155 1.00 0.00 H new ATOM 223 N GLN A 18 21.171 1.760 3.200 1.00 0.00 N ATOM 224 CA GLN A 18 21.815 0.493 3.530 1.00 0.00 C ATOM 225 C GLN A 18 22.535 -0.114 2.317 1.00 0.00 C ATOM 226 O GLN A 18 23.669 -0.565 2.442 1.00 0.00 O ATOM 227 CB GLN A 18 20.822 -0.486 4.169 1.00 0.00 C ATOM 228 CG GLN A 18 20.252 0.039 5.498 1.00 0.00 C ATOM 229 CD GLN A 18 21.340 0.419 6.498 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.540 1.592 6.797 1.00 0.00 O ATOM 231 NE2 GLN A 18 22.069 -0.567 7.012 1.00 0.00 N ATOM 0 H GLN A 18 20.162 1.781 3.347 1.00 0.00 H new ATOM 0 HA GLN A 18 22.585 0.698 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.003 -0.673 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.318 -1.441 4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.626 0.909 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.609 -0.723 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.880 -1.533 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.817 -0.357 7.673 1.00 0.00 H new ATOM 240 N ARG A 19 21.907 -0.115 1.140 1.00 0.00 N ATOM 241 CA ARG A 19 22.510 -0.605 -0.093 1.00 0.00 C ATOM 242 C ARG A 19 23.785 0.181 -0.410 1.00 0.00 C ATOM 243 O ARG A 19 24.826 -0.415 -0.669 1.00 0.00 O ATOM 244 CB ARG A 19 21.491 -0.550 -1.242 1.00 0.00 C ATOM 245 CG ARG A 19 20.454 -1.677 -1.105 1.00 0.00 C ATOM 246 CD ARG A 19 19.308 -1.542 -2.117 1.00 0.00 C ATOM 247 NE ARG A 19 18.453 -0.383 -1.818 1.00 0.00 N ATOM 248 CZ ARG A 19 17.382 -0.006 -2.539 1.00 0.00 C ATOM 249 NH1 ARG A 19 17.079 -0.656 -3.667 1.00 0.00 N ATOM 250 NH2 ARG A 19 16.605 1.009 -2.137 1.00 0.00 N ATOM 0 H ARG A 19 20.955 0.229 1.019 1.00 0.00 H new ATOM 0 HA ARG A 19 22.798 -1.649 0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.987 0.416 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.008 -0.639 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.947 -2.639 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.046 -1.671 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.719 -1.442 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.706 -2.451 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 19 18.691 0.178 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.659 -1.435 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.268 -0.373 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.823 1.507 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.796 1.284 -2.694 1.00 0.00 H new ATOM 264 N ARG A 20 23.726 1.514 -0.357 1.00 0.00 N ATOM 265 CA ARG A 20 24.883 2.381 -0.535 1.00 0.00 C ATOM 266 C ARG A 20 26.020 1.950 0.404 1.00 0.00 C ATOM 267 O ARG A 20 27.167 1.795 -0.026 1.00 0.00 O ATOM 268 CB ARG A 20 24.466 3.841 -0.295 1.00 0.00 C ATOM 269 CG ARG A 20 25.643 4.796 -0.504 1.00 0.00 C ATOM 270 CD ARG A 20 25.333 6.233 -0.067 1.00 0.00 C ATOM 271 NE ARG A 20 25.018 6.335 1.364 1.00 0.00 N ATOM 272 CZ ARG A 20 25.898 6.256 2.374 1.00 0.00 C ATOM 273 NH1 ARG A 20 27.191 5.988 2.153 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.469 6.459 3.623 1.00 0.00 N ATOM 0 H ARG A 20 22.859 2.024 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 20 25.256 2.296 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.655 4.106 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 20 24.082 3.950 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.504 4.430 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.922 4.795 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 20 26.189 6.870 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.492 6.612 -0.648 1.00 0.00 H new ATOM 0 HE ARG A 20 24.039 6.479 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.525 5.839 1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.842 5.933 2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.486 6.670 3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.124 6.403 4.403 1.00 0.00 H new ATOM 288 N ILE A 21 25.698 1.765 1.687 1.00 0.00 N ATOM 289 CA ILE A 21 26.662 1.319 2.684 1.00 0.00 C ATOM 290 C ILE A 21 27.228 -0.053 2.295 1.00 0.00 C ATOM 291 O ILE A 21 28.443 -0.229 2.306 1.00 0.00 O ATOM 292 CB ILE A 21 26.037 1.356 4.093 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.793 2.823 4.501 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.948 0.670 5.124 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.860 2.958 5.710 1.00 0.00 C ATOM 0 H ILE A 21 24.761 1.921 2.059 1.00 0.00 H new ATOM 0 HA ILE A 21 27.510 2.004 2.713 1.00 0.00 H new ATOM 0 HB ILE A 21 25.091 0.814 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.748 3.295 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.366 3.364 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.480 0.712 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.101 -0.371 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.910 1.182 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.726 4.013 5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.893 2.514 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.297 2.444 6.566 1.00 0.00 H new ATOM 307 N LYS A 22 26.382 -1.016 1.920 1.00 0.00 N ATOM 308 CA LYS A 22 26.826 -2.342 1.498 1.00 0.00 C ATOM 309 C LYS A 22 27.759 -2.265 0.283 1.00 0.00 C ATOM 310 O LYS A 22 28.768 -2.966 0.240 1.00 0.00 O ATOM 311 CB LYS A 22 25.622 -3.252 1.215 1.00 0.00 C ATOM 312 CG LYS A 22 24.835 -3.628 2.479 1.00 0.00 C ATOM 313 CD LYS A 22 25.561 -4.689 3.318 1.00 0.00 C ATOM 314 CE LYS A 22 24.698 -5.097 4.518 1.00 0.00 C ATOM 315 NZ LYS A 22 25.375 -6.114 5.342 1.00 0.00 N ATOM 0 H LYS A 22 25.369 -0.896 1.901 1.00 0.00 H new ATOM 0 HA LYS A 22 27.398 -2.777 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.954 -2.751 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.970 -4.163 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.674 -2.736 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 22 23.851 -4.002 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.779 -5.563 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.517 -4.297 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.479 -4.220 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.743 -5.487 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 24.767 -6.370 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.562 -6.959 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.275 -5.731 5.696 1.00 0.00 H new ATOM 329 N LEU A 23 27.453 -1.403 -0.691 1.00 0.00 N ATOM 330 CA LEU A 23 28.349 -1.141 -1.815 1.00 0.00 C ATOM 331 C LEU A 23 29.661 -0.487 -1.355 1.00 0.00 C ATOM 332 O LEU A 23 30.625 -0.455 -2.116 1.00 0.00 O ATOM 333 CB LEU A 23 27.668 -0.240 -2.859 1.00 0.00 C ATOM 334 CG LEU A 23 26.459 -0.847 -3.586 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.792 0.245 -4.431 1.00 0.00 C ATOM 336 CD2 LEU A 23 26.867 -2.008 -4.502 1.00 0.00 C ATOM 0 H LEU A 23 26.583 -0.872 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 23 28.583 -2.105 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.347 0.677 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.411 0.044 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 23 25.771 -1.237 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.931 -0.174 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.463 1.057 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.506 0.629 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.983 -2.409 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.572 -1.649 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.337 -2.792 -3.908 1.00 0.00 H new ATOM 348 N GLY A 24 29.701 0.080 -0.146 1.00 0.00 N ATOM 349 CA GLY A 24 30.832 0.844 0.351 1.00 0.00 C ATOM 350 C GLY A 24 30.949 2.176 -0.385 1.00 0.00 C ATOM 351 O GLY A 24 32.044 2.718 -0.518 1.00 0.00 O ATOM 0 H GLY A 24 28.932 0.016 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.715 1.023 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.750 0.270 0.222 1.00 0.00 H new ATOM 355 N PHE A 25 29.824 2.715 -0.868 1.00 0.00 N ATOM 356 CA PHE A 25 29.833 3.944 -1.644 1.00 0.00 C ATOM 357 C PHE A 25 29.714 5.141 -0.714 1.00 0.00 C ATOM 358 O PHE A 25 28.717 5.295 -0.013 1.00 0.00 O ATOM 359 CB PHE A 25 28.692 3.956 -2.669 1.00 0.00 C ATOM 360 CG PHE A 25 29.073 3.455 -4.049 1.00 0.00 C ATOM 361 CD1 PHE A 25 29.781 2.250 -4.198 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.741 4.209 -5.190 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.032 1.731 -5.479 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.975 3.683 -6.473 1.00 0.00 C ATOM 365 CZ PHE A 25 29.605 2.435 -6.618 1.00 0.00 C ATOM 0 H PHE A 25 28.897 2.312 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 25 30.776 4.001 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.874 3.344 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.314 4.974 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.133 1.721 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 25 28.306 5.192 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.553 0.791 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.670 4.238 -7.348 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.761 2.018 -7.602 1.00 0.00 H new ATOM 375 N THR A 26 30.709 6.025 -0.734 1.00 0.00 N ATOM 376 CA THR A 26 30.552 7.314 -0.086 1.00 0.00 C ATOM 377 C THR A 26 29.428 8.060 -0.810 1.00 0.00 C ATOM 378 O THR A 26 29.256 7.939 -2.026 1.00 0.00 O ATOM 379 CB THR A 26 31.873 8.110 -0.055 1.00 0.00 C ATOM 380 OG1 THR A 26 31.599 9.493 0.098 1.00 0.00 O ATOM 381 CG2 THR A 26 32.734 7.917 -1.307 1.00 0.00 C ATOM 0 H THR A 26 31.612 5.873 -1.183 1.00 0.00 H new ATOM 0 HA THR A 26 30.284 7.180 0.962 1.00 0.00 H new ATOM 0 HB THR A 26 32.439 7.723 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 26 32.041 9.995 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 26 33.646 8.506 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.992 6.863 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.178 8.244 -2.185 1.00 0.00 H new ATOM 389 N GLN A 27 28.685 8.871 -0.059 1.00 0.00 N ATOM 390 CA GLN A 27 27.708 9.794 -0.613 1.00 0.00 C ATOM 391 C GLN A 27 28.359 10.696 -1.670 1.00 0.00 C ATOM 392 O GLN A 27 27.690 11.123 -2.606 1.00 0.00 O ATOM 393 CB GLN A 27 27.087 10.612 0.520 1.00 0.00 C ATOM 394 CG GLN A 27 26.314 9.710 1.495 1.00 0.00 C ATOM 395 CD GLN A 27 25.800 10.502 2.688 1.00 0.00 C ATOM 396 OE1 GLN A 27 24.599 10.692 2.846 1.00 0.00 O ATOM 397 NE2 GLN A 27 26.716 10.988 3.520 1.00 0.00 N ATOM 0 H GLN A 27 28.748 8.903 0.959 1.00 0.00 H new ATOM 0 HA GLN A 27 26.916 9.234 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 27 27.870 11.147 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 27 26.415 11.363 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 27 25.476 9.244 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 27 26.962 8.905 1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 27 27.705 10.806 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 27 26.429 11.543 4.327 1.00 0.00 H new ATOM 406 N GLY A 28 29.667 10.955 -1.551 1.00 0.00 N ATOM 407 CA GLY A 28 30.417 11.646 -2.587 1.00 0.00 C ATOM 408 C GLY A 28 30.379 10.870 -3.906 1.00 0.00 C ATOM 409 O GLY A 28 30.138 11.451 -4.964 1.00 0.00 O ATOM 0 H GLY A 28 30.224 10.691 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 28 30.003 12.643 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 31.451 11.775 -2.267 1.00 0.00 H new ATOM 413 N ASP A 29 30.598 9.551 -3.849 1.00 0.00 N ATOM 414 CA ASP A 29 30.568 8.713 -5.040 1.00 0.00 C ATOM 415 C ASP A 29 29.155 8.729 -5.603 1.00 0.00 C ATOM 416 O ASP A 29 28.983 8.943 -6.798 1.00 0.00 O ATOM 417 CB ASP A 29 31.042 7.279 -4.752 1.00 0.00 C ATOM 418 CG ASP A 29 31.257 6.479 -6.038 1.00 0.00 C ATOM 419 OD1 ASP A 29 30.299 6.387 -6.833 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.388 5.976 -6.204 1.00 0.00 O ATOM 0 H ASP A 29 30.798 9.046 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 29 31.264 9.115 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.972 7.311 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.306 6.772 -4.128 1.00 0.00 H new ATOM 425 N VAL A 30 28.143 8.545 -4.745 1.00 0.00 N ATOM 426 CA VAL A 30 26.759 8.637 -5.197 1.00 0.00 C ATOM 427 C VAL A 30 26.532 9.962 -5.926 1.00 0.00 C ATOM 428 O VAL A 30 26.091 9.949 -7.071 1.00 0.00 O ATOM 429 CB VAL A 30 25.753 8.384 -4.056 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.308 8.505 -4.564 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.948 6.973 -3.493 1.00 0.00 C ATOM 0 H VAL A 30 28.258 8.336 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 30 26.574 7.837 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 30 25.930 9.131 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.617 8.322 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.144 9.507 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.137 7.771 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.234 6.801 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.786 6.240 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.962 6.872 -3.107 1.00 0.00 H new ATOM 441 N GLY A 31 26.880 11.090 -5.304 1.00 0.00 N ATOM 442 CA GLY A 31 26.787 12.405 -5.923 1.00 0.00 C ATOM 443 C GLY A 31 27.470 12.451 -7.293 1.00 0.00 C ATOM 444 O GLY A 31 26.887 12.919 -8.268 1.00 0.00 O ATOM 0 H GLY A 31 27.237 11.112 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.738 12.679 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.243 13.146 -5.267 1.00 0.00 H new ATOM 448 N LEU A 32 28.711 11.966 -7.378 1.00 0.00 N ATOM 449 CA LEU A 32 29.495 11.995 -8.610 1.00 0.00 C ATOM 450 C LEU A 32 28.821 11.170 -9.703 1.00 0.00 C ATOM 451 O LEU A 32 28.591 11.638 -10.817 1.00 0.00 O ATOM 452 CB LEU A 32 30.898 11.456 -8.313 1.00 0.00 C ATOM 453 CG LEU A 32 31.901 11.623 -9.466 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.202 13.098 -9.758 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.205 10.905 -9.100 1.00 0.00 C ATOM 0 H LEU A 32 29.200 11.541 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 32 29.565 13.021 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.289 11.963 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.822 10.397 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 32 31.458 11.191 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.915 13.168 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.280 13.610 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.625 13.566 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.923 11.018 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.616 11.340 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.004 9.846 -8.938 1.00 0.00 H new ATOM 467 N ALA A 33 28.526 9.917 -9.375 1.00 0.00 N ATOM 468 CA ALA A 33 27.899 8.973 -10.281 1.00 0.00 C ATOM 469 C ALA A 33 26.540 9.503 -10.747 1.00 0.00 C ATOM 470 O ALA A 33 26.238 9.473 -11.937 1.00 0.00 O ATOM 471 CB ALA A 33 27.811 7.608 -9.595 1.00 0.00 C ATOM 0 H ALA A 33 28.721 9.526 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 33 28.500 8.850 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.341 6.892 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.813 7.263 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.216 7.695 -8.686 1.00 0.00 H new ATOM 477 N MET A 34 25.728 10.030 -9.826 1.00 0.00 N ATOM 478 CA MET A 34 24.491 10.726 -10.162 1.00 0.00 C ATOM 479 C MET A 34 24.790 11.875 -11.124 1.00 0.00 C ATOM 480 O MET A 34 24.099 12.027 -12.127 1.00 0.00 O ATOM 481 CB MET A 34 23.813 11.242 -8.884 1.00 0.00 C ATOM 482 CG MET A 34 23.312 10.094 -7.998 1.00 0.00 C ATOM 483 SD MET A 34 21.537 9.760 -8.006 1.00 0.00 S ATOM 484 CE MET A 34 21.185 9.686 -9.767 1.00 0.00 C ATOM 0 H MET A 34 25.914 9.984 -8.824 1.00 0.00 H new ATOM 0 HA MET A 34 23.808 10.033 -10.653 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.518 11.854 -8.321 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.975 11.886 -9.152 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.829 9.183 -8.301 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.612 10.304 -6.971 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.160 9.347 -9.919 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.308 10.677 -10.205 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.873 8.989 -10.247 1.00 0.00 H new ATOM 494 N GLY A 35 25.839 12.645 -10.833 1.00 0.00 N ATOM 495 CA GLY A 35 26.426 13.645 -11.712 1.00 0.00 C ATOM 496 C GLY A 35 26.541 13.129 -13.140 1.00 0.00 C ATOM 497 O GLY A 35 25.993 13.727 -14.063 1.00 0.00 O ATOM 0 H GLY A 35 26.321 12.582 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.816 14.548 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.413 13.922 -11.343 1.00 0.00 H new ATOM 501 N LYS A 36 27.254 12.016 -13.313 1.00 0.00 N ATOM 502 CA LYS A 36 27.443 11.413 -14.626 1.00 0.00 C ATOM 503 C LYS A 36 26.109 10.977 -15.248 1.00 0.00 C ATOM 504 O LYS A 36 25.829 11.306 -16.398 1.00 0.00 O ATOM 505 CB LYS A 36 28.425 10.230 -14.551 1.00 0.00 C ATOM 506 CG LYS A 36 29.903 10.642 -14.645 1.00 0.00 C ATOM 507 CD LYS A 36 30.392 11.431 -13.424 1.00 0.00 C ATOM 508 CE LYS A 36 31.870 11.818 -13.548 1.00 0.00 C ATOM 509 NZ LYS A 36 32.756 10.642 -13.514 1.00 0.00 N ATOM 0 H LYS A 36 27.712 11.513 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 36 27.873 12.175 -15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.265 9.697 -13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.200 9.532 -15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.516 9.748 -14.760 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.048 11.246 -15.541 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.789 12.332 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.247 10.833 -12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.025 12.361 -14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.136 12.495 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.747 10.955 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.533 10.063 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.615 10.076 -14.375 1.00 0.00 H new ATOM 523 N LEU A 37 25.308 10.192 -14.523 1.00 0.00 N ATOM 524 CA LEU A 37 24.137 9.533 -15.099 1.00 0.00 C ATOM 525 C LEU A 37 22.950 10.477 -15.337 1.00 0.00 C ATOM 526 O LEU A 37 22.191 10.260 -16.278 1.00 0.00 O ATOM 527 CB LEU A 37 23.714 8.337 -14.233 1.00 0.00 C ATOM 528 CG LEU A 37 24.778 7.242 -14.053 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.140 6.051 -13.329 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.378 6.755 -15.376 1.00 0.00 C ATOM 0 H LEU A 37 25.452 9.998 -13.532 1.00 0.00 H new ATOM 0 HA LEU A 37 24.441 9.181 -16.085 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.428 8.707 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.825 7.887 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 37 25.593 7.677 -13.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.884 5.266 -13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.771 6.372 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.310 5.667 -13.922 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.121 5.983 -15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.588 6.344 -16.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.852 7.591 -15.890 1.00 0.00 H new ATOM 542 N TYR A 38 22.748 11.478 -14.473 1.00 0.00 N ATOM 543 CA TYR A 38 21.583 12.363 -14.501 1.00 0.00 C ATOM 544 C TYR A 38 21.999 13.826 -14.327 1.00 0.00 C ATOM 545 O TYR A 38 21.686 14.667 -15.167 1.00 0.00 O ATOM 546 CB TYR A 38 20.585 11.979 -13.395 1.00 0.00 C ATOM 547 CG TYR A 38 19.989 10.586 -13.490 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.678 9.503 -12.921 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.682 10.398 -13.978 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.067 8.241 -12.824 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.063 9.140 -13.866 1.00 0.00 C ATOM 552 CZ TYR A 38 18.761 8.061 -13.303 1.00 0.00 C ATOM 553 OH TYR A 38 18.106 6.892 -13.073 1.00 0.00 O ATOM 0 H TYR A 38 23.402 11.698 -13.722 1.00 0.00 H new ATOM 0 HA TYR A 38 21.104 12.247 -15.473 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.087 12.073 -12.432 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.770 12.703 -13.402 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.685 9.641 -12.555 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.154 11.220 -14.439 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.601 7.413 -12.382 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.050 9.005 -14.214 1.00 0.00 H new ATOM 0 HH TYR A 38 18.095 6.707 -12.111 1.00 0.00 H new ATOM 563 N GLY A 39 22.646 14.145 -13.205 1.00 0.00 N ATOM 564 CA GLY A 39 22.951 15.505 -12.798 1.00 0.00 C ATOM 565 C GLY A 39 23.481 15.479 -11.368 1.00 0.00 C ATOM 566 O GLY A 39 23.208 14.536 -10.625 1.00 0.00 O ATOM 0 H GLY A 39 22.978 13.444 -12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.691 15.943 -13.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.058 16.127 -12.859 1.00 0.00 H new ATOM 570 N ASN A 40 24.281 16.485 -10.989 1.00 0.00 N ATOM 571 CA ASN A 40 25.039 16.489 -9.739 1.00 0.00 C ATOM 572 C ASN A 40 24.130 16.837 -8.561 1.00 0.00 C ATOM 573 O ASN A 40 24.245 17.897 -7.948 1.00 0.00 O ATOM 574 CB ASN A 40 26.250 17.426 -9.857 1.00 0.00 C ATOM 575 CG ASN A 40 27.247 17.227 -8.714 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.325 16.679 -8.915 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.912 17.675 -7.509 1.00 0.00 N ATOM 0 H ASN A 40 24.419 17.326 -11.550 1.00 0.00 H new ATOM 0 HA ASN A 40 25.428 15.489 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.751 17.251 -10.809 1.00 0.00 H new ATOM 0 HB3 ASN A 40 25.908 18.461 -9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.558 17.566 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.009 18.128 -7.366 1.00 0.00 H new ATOM 584 N ASP A 41 23.219 15.916 -8.264 1.00 0.00 N ATOM 585 CA ASP A 41 22.320 15.924 -7.124 1.00 0.00 C ATOM 586 C ASP A 41 22.737 14.770 -6.202 1.00 0.00 C ATOM 587 O ASP A 41 23.599 13.976 -6.571 1.00 0.00 O ATOM 588 CB ASP A 41 20.889 15.827 -7.679 1.00 0.00 C ATOM 589 CG ASP A 41 19.790 15.998 -6.638 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.110 16.502 -5.540 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.638 15.647 -6.967 1.00 0.00 O ATOM 0 H ASP A 41 23.083 15.094 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 41 22.364 16.831 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.761 16.586 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.766 14.857 -8.162 1.00 0.00 H new ATOM 596 N PHE A 42 22.150 14.661 -5.007 1.00 0.00 N ATOM 597 CA PHE A 42 22.373 13.543 -4.088 1.00 0.00 C ATOM 598 C PHE A 42 23.763 13.541 -3.454 1.00 0.00 C ATOM 599 O PHE A 42 24.188 12.533 -2.887 1.00 0.00 O ATOM 600 CB PHE A 42 22.016 12.200 -4.741 1.00 0.00 C ATOM 601 CG PHE A 42 20.628 12.177 -5.359 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.493 11.904 -4.572 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.461 12.551 -6.704 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.206 12.029 -5.118 1.00 0.00 C ATOM 605 CE2 PHE A 42 19.176 12.618 -7.268 1.00 0.00 C ATOM 606 CZ PHE A 42 18.048 12.366 -6.472 1.00 0.00 C ATOM 0 H PHE A 42 21.497 15.357 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 42 21.687 13.690 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.752 11.973 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.085 11.411 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.613 11.597 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 42 21.325 12.788 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.338 11.866 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 42 19.056 12.863 -8.313 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.059 12.431 -6.901 1.00 0.00 H new ATOM 616 N SER A 43 24.444 14.686 -3.459 1.00 0.00 N ATOM 617 CA SER A 43 25.661 14.893 -2.704 1.00 0.00 C ATOM 618 C SER A 43 25.280 15.010 -1.226 1.00 0.00 C ATOM 619 O SER A 43 25.149 16.124 -0.710 1.00 0.00 O ATOM 620 CB SER A 43 26.326 16.164 -3.243 1.00 0.00 C ATOM 621 OG SER A 43 25.345 17.173 -3.395 1.00 0.00 O ATOM 0 H SER A 43 24.155 15.502 -3.998 1.00 0.00 H new ATOM 0 HA SER A 43 26.369 14.070 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 43 27.106 16.499 -2.559 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.806 15.960 -4.200 1.00 0.00 H new ATOM 0 HG SER A 43 24.873 17.301 -2.546 1.00 0.00 H new ATOM 627 N GLN A 44 25.043 13.861 -0.579 1.00 0.00 N ATOM 628 CA GLN A 44 24.640 13.694 0.818 1.00 0.00 C ATOM 629 C GLN A 44 23.261 14.290 1.102 1.00 0.00 C ATOM 630 O GLN A 44 22.331 13.556 1.420 1.00 0.00 O ATOM 631 CB GLN A 44 25.720 14.207 1.789 1.00 0.00 C ATOM 632 CG GLN A 44 25.237 14.132 3.247 1.00 0.00 C ATOM 633 CD GLN A 44 26.386 14.234 4.243 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.623 13.313 5.018 1.00 0.00 O ATOM 635 NE2 GLN A 44 27.114 15.347 4.228 1.00 0.00 N ATOM 0 H GLN A 44 25.135 12.963 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 44 24.545 12.623 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.628 13.615 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.977 15.237 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.525 14.936 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.706 13.193 3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.890 16.094 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.896 15.453 4.874 1.00 0.00 H new ATOM 644 N THR A 45 23.154 15.614 1.021 1.00 0.00 N ATOM 645 CA THR A 45 21.958 16.427 1.203 1.00 0.00 C ATOM 646 C THR A 45 20.667 15.690 0.822 1.00 0.00 C ATOM 647 O THR A 45 19.905 15.267 1.694 1.00 0.00 O ATOM 648 CB THR A 45 22.136 17.704 0.364 1.00 0.00 C ATOM 649 OG1 THR A 45 22.593 17.360 -0.933 1.00 0.00 O ATOM 650 CG2 THR A 45 23.150 18.659 1.004 1.00 0.00 C ATOM 0 H THR A 45 23.968 16.191 0.809 1.00 0.00 H new ATOM 0 HA THR A 45 21.849 16.666 2.261 1.00 0.00 H new ATOM 0 HB THR A 45 21.169 18.205 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.527 17.068 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.251 19.550 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.804 18.944 1.998 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.117 18.162 1.085 1.00 0.00 H new ATOM 658 N THR A 46 20.422 15.547 -0.481 1.00 0.00 N ATOM 659 CA THR A 46 19.198 14.994 -1.039 1.00 0.00 C ATOM 660 C THR A 46 18.903 13.605 -0.463 1.00 0.00 C ATOM 661 O THR A 46 17.783 13.322 -0.050 1.00 0.00 O ATOM 662 CB THR A 46 19.311 14.978 -2.571 1.00 0.00 C ATOM 663 OG1 THR A 46 20.289 15.921 -2.971 1.00 0.00 O ATOM 664 CG2 THR A 46 17.974 15.292 -3.246 1.00 0.00 C ATOM 0 H THR A 46 21.095 15.823 -1.196 1.00 0.00 H new ATOM 0 HA THR A 46 18.352 15.622 -0.761 1.00 0.00 H new ATOM 0 HB THR A 46 19.603 13.975 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.995 16.369 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.099 15.270 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.234 14.548 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.635 16.282 -2.940 1.00 0.00 H new ATOM 672 N ILE A 47 19.924 12.746 -0.417 1.00 0.00 N ATOM 673 CA ILE A 47 19.841 11.392 0.121 1.00 0.00 C ATOM 674 C ILE A 47 19.396 11.448 1.588 1.00 0.00 C ATOM 675 O ILE A 47 18.423 10.804 1.978 1.00 0.00 O ATOM 676 CB ILE A 47 21.199 10.687 -0.120 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.411 10.383 -1.604 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.440 9.423 0.710 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.498 9.305 -2.201 1.00 0.00 C ATOM 0 H ILE A 47 20.854 12.982 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 47 19.085 10.794 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 47 21.937 11.410 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.270 11.305 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.447 10.076 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.418 9.008 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.407 9.672 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.667 8.688 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.735 9.171 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.652 8.364 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.457 9.612 -2.099 1.00 0.00 H new ATOM 691 N SER A 48 20.053 12.281 2.390 1.00 0.00 N ATOM 692 CA SER A 48 19.715 12.461 3.792 1.00 0.00 C ATOM 693 C SER A 48 18.246 12.876 3.934 1.00 0.00 C ATOM 694 O SER A 48 17.477 12.236 4.652 1.00 0.00 O ATOM 695 CB SER A 48 20.657 13.494 4.426 1.00 0.00 C ATOM 696 OG SER A 48 22.009 13.155 4.174 1.00 0.00 O ATOM 0 H SER A 48 20.839 12.852 2.080 1.00 0.00 H new ATOM 0 HA SER A 48 19.844 11.517 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.443 14.484 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.483 13.542 5.501 1.00 0.00 H new ATOM 0 HG SER A 48 22.247 13.418 3.261 1.00 0.00 H new ATOM 702 N ARG A 49 17.844 13.946 3.240 1.00 0.00 N ATOM 703 CA ARG A 49 16.485 14.456 3.378 1.00 0.00 C ATOM 704 C ARG A 49 15.440 13.530 2.738 1.00 0.00 C ATOM 705 O ARG A 49 14.269 13.582 3.114 1.00 0.00 O ATOM 706 CB ARG A 49 16.387 15.919 2.934 1.00 0.00 C ATOM 707 CG ARG A 49 16.536 16.117 1.425 1.00 0.00 C ATOM 708 CD ARG A 49 16.147 17.543 1.022 1.00 0.00 C ATOM 709 NE ARG A 49 16.972 18.540 1.718 1.00 0.00 N ATOM 710 CZ ARG A 49 16.567 19.732 2.186 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.281 20.105 2.161 1.00 0.00 N ATOM 712 NH2 ARG A 49 17.480 20.568 2.691 1.00 0.00 N ATOM 0 H ARG A 49 18.433 14.465 2.589 1.00 0.00 H new ATOM 0 HA ARG A 49 16.236 14.453 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.425 16.321 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.158 16.496 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.566 15.918 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.908 15.401 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.261 17.662 -0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.095 17.714 1.252 1.00 0.00 H new ATOM 0 HE ARG A 49 17.954 18.302 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.575 19.476 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.008 21.018 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.463 20.296 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.194 21.478 3.052 1.00 0.00 H new ATOM 726 N PHE A 50 15.844 12.676 1.790 1.00 0.00 N ATOM 727 CA PHE A 50 15.008 11.605 1.262 1.00 0.00 C ATOM 728 C PHE A 50 14.723 10.607 2.373 1.00 0.00 C ATOM 729 O PHE A 50 13.564 10.358 2.695 1.00 0.00 O ATOM 730 CB PHE A 50 15.718 10.902 0.100 1.00 0.00 C ATOM 731 CG PHE A 50 14.991 9.740 -0.552 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.601 9.775 -0.785 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.744 8.651 -1.028 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.995 8.790 -1.586 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.131 7.652 -1.800 1.00 0.00 C ATOM 736 CZ PHE A 50 13.768 7.750 -2.125 1.00 0.00 C ATOM 0 H PHE A 50 16.771 12.714 1.367 1.00 0.00 H new ATOM 0 HA PHE A 50 14.072 12.024 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.926 11.646 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.680 10.539 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.001 10.559 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.797 8.584 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.935 8.834 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.708 6.807 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.316 7.027 -2.788 1.00 0.00 H new ATOM 746 N GLU A 51 15.781 10.067 2.982 1.00 0.00 N ATOM 747 CA GLU A 51 15.631 9.180 4.135 1.00 0.00 C ATOM 748 C GLU A 51 14.798 9.834 5.247 1.00 0.00 C ATOM 749 O GLU A 51 13.999 9.150 5.882 1.00 0.00 O ATOM 750 CB GLU A 51 16.982 8.685 4.675 1.00 0.00 C ATOM 751 CG GLU A 51 17.539 7.479 3.900 1.00 0.00 C ATOM 752 CD GLU A 51 18.314 7.885 2.652 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.511 8.198 2.825 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.710 7.866 1.558 1.00 0.00 O ATOM 0 H GLU A 51 16.747 10.228 2.696 1.00 0.00 H new ATOM 0 HA GLU A 51 15.089 8.303 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.704 9.501 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.869 8.413 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.191 6.902 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.715 6.825 3.614 1.00 0.00 H new ATOM 761 N ALA A 52 14.964 11.141 5.483 1.00 0.00 N ATOM 762 CA ALA A 52 14.162 11.877 6.465 1.00 0.00 C ATOM 763 C ALA A 52 12.780 12.303 5.937 1.00 0.00 C ATOM 764 O ALA A 52 12.042 12.988 6.641 1.00 0.00 O ATOM 765 CB ALA A 52 14.950 13.092 6.963 1.00 0.00 C ATOM 0 H ALA A 52 15.655 11.715 5.000 1.00 0.00 H new ATOM 0 HA ALA A 52 13.965 11.194 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.353 13.639 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.877 12.758 7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.182 13.745 6.122 1.00 0.00 H new ATOM 771 N LEU A 53 12.426 11.920 4.707 1.00 0.00 N ATOM 772 CA LEU A 53 11.173 12.220 4.027 1.00 0.00 C ATOM 773 C LEU A 53 10.750 13.689 4.081 1.00 0.00 C ATOM 774 O LEU A 53 9.608 14.011 4.393 1.00 0.00 O ATOM 775 CB LEU A 53 10.046 11.261 4.453 1.00 0.00 C ATOM 776 CG LEU A 53 10.340 9.811 4.030 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.786 9.003 5.255 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.104 9.168 3.387 1.00 0.00 C ATOM 0 H LEU A 53 13.049 11.357 4.128 1.00 0.00 H new ATOM 0 HA LEU A 53 11.374 12.041 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.920 11.306 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.105 11.586 4.009 1.00 0.00 H new ATOM 0 HG LEU A 53 11.139 9.815 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.995 7.976 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.687 9.449 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.994 9.010 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.336 8.144 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.282 9.165 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.814 9.739 2.505 1.00 0.00 H new ATOM 790 N ASN A 54 11.649 14.581 3.663 1.00 0.00 N ATOM 791 CA ASN A 54 11.318 15.988 3.464 1.00 0.00 C ATOM 792 C ASN A 54 10.620 16.211 2.120 1.00 0.00 C ATOM 793 O ASN A 54 9.531 16.775 2.042 1.00 0.00 O ATOM 794 CB ASN A 54 12.603 16.816 3.520 1.00 0.00 C ATOM 795 CG ASN A 54 12.373 18.265 3.097 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.915 18.710 2.089 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.574 19.011 3.853 1.00 0.00 N ATOM 0 H ASN A 54 12.620 14.348 3.455 1.00 0.00 H new ATOM 0 HA ASN A 54 10.634 16.299 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.004 16.794 4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.353 16.364 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.396 19.983 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.139 18.611 4.684 1.00 0.00 H new ATOM 804 N LEU A 55 11.280 15.769 1.050 1.00 0.00 N ATOM 805 CA LEU A 55 10.933 16.108 -0.330 1.00 0.00 C ATOM 806 C LEU A 55 9.499 15.748 -0.725 1.00 0.00 C ATOM 807 O LEU A 55 8.929 16.392 -1.603 1.00 0.00 O ATOM 808 CB LEU A 55 11.929 15.456 -1.294 1.00 0.00 C ATOM 809 CG LEU A 55 13.361 15.984 -1.135 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.324 15.074 -1.903 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.497 17.421 -1.657 1.00 0.00 C ATOM 0 H LEU A 55 12.089 15.152 1.120 1.00 0.00 H new ATOM 0 HA LEU A 55 10.993 17.194 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.927 14.378 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.598 15.627 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 55 13.604 15.986 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.343 15.446 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.263 14.061 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.053 15.066 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.525 17.760 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.236 17.450 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.826 18.075 -1.100 1.00 0.00 H new ATOM 823 N SER A 56 8.922 14.733 -0.078 1.00 0.00 N ATOM 824 CA SER A 56 7.540 14.319 -0.257 1.00 0.00 C ATOM 825 C SER A 56 7.259 13.713 -1.645 1.00 0.00 C ATOM 826 O SER A 56 8.058 13.825 -2.584 1.00 0.00 O ATOM 827 CB SER A 56 6.597 15.474 0.111 1.00 0.00 C ATOM 828 OG SER A 56 6.895 15.933 1.418 1.00 0.00 O ATOM 0 H SER A 56 9.423 14.164 0.604 1.00 0.00 H new ATOM 0 HA SER A 56 7.343 13.497 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.706 16.288 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.560 15.141 0.059 1.00 0.00 H new ATOM 0 HG SER A 56 7.803 16.301 1.436 1.00 0.00 H new ATOM 834 N PHE A 57 6.106 13.036 -1.751 1.00 0.00 N ATOM 835 CA PHE A 57 5.720 12.202 -2.889 1.00 0.00 C ATOM 836 C PHE A 57 6.018 12.874 -4.231 1.00 0.00 C ATOM 837 O PHE A 57 6.586 12.254 -5.130 1.00 0.00 O ATOM 838 CB PHE A 57 4.246 11.791 -2.780 1.00 0.00 C ATOM 839 CG PHE A 57 3.900 10.616 -3.675 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.206 9.307 -3.255 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.367 10.832 -4.960 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.953 8.217 -4.106 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.114 9.740 -5.808 1.00 0.00 C ATOM 844 CZ PHE A 57 3.402 8.433 -5.380 1.00 0.00 C ATOM 0 H PHE A 57 5.395 13.058 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 57 6.331 11.300 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.020 11.534 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.615 12.641 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.635 9.140 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.153 11.836 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.182 7.213 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.697 9.906 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.200 7.595 -6.030 1.00 0.00 H new ATOM 854 N LYS A 58 5.653 14.161 -4.319 1.00 0.00 N ATOM 855 CA LYS A 58 5.892 15.055 -5.446 1.00 0.00 C ATOM 856 C LYS A 58 7.236 14.809 -6.134 1.00 0.00 C ATOM 857 O LYS A 58 7.295 14.708 -7.357 1.00 0.00 O ATOM 858 CB LYS A 58 5.754 16.516 -4.976 1.00 0.00 C ATOM 859 CG LYS A 58 6.764 16.939 -3.891 1.00 0.00 C ATOM 860 CD LYS A 58 6.383 18.269 -3.228 1.00 0.00 C ATOM 861 CE LYS A 58 6.405 19.437 -4.223 1.00 0.00 C ATOM 862 NZ LYS A 58 6.166 20.722 -3.542 1.00 0.00 N ATOM 0 H LYS A 58 5.156 14.626 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 58 5.138 14.845 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.870 17.174 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.745 16.667 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.824 16.161 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.755 17.028 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.388 18.184 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.073 18.477 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.368 19.466 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.644 19.281 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.186 21.493 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.236 20.701 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.906 20.880 -2.829 1.00 0.00 H new ATOM 876 N ASN A 59 8.314 14.726 -5.350 1.00 0.00 N ATOM 877 CA ASN A 59 9.654 14.497 -5.869 1.00 0.00 C ATOM 878 C ASN A 59 9.950 13.008 -5.817 1.00 0.00 C ATOM 879 O ASN A 59 10.486 12.437 -6.770 1.00 0.00 O ATOM 880 CB ASN A 59 10.671 15.233 -4.996 1.00 0.00 C ATOM 881 CG ASN A 59 12.071 15.346 -5.609 1.00 0.00 C ATOM 882 OD1 ASN A 59 12.834 16.220 -5.214 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.451 14.493 -6.560 1.00 0.00 N ATOM 0 H ASN A 59 8.276 14.817 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 59 9.719 14.861 -6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.296 16.236 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.748 14.719 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.384 14.564 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.809 13.769 -6.882 1.00 0.00 H new ATOM 890 N MET A 60 9.662 12.411 -4.659 1.00 0.00 N ATOM 891 CA MET A 60 10.041 11.045 -4.342 1.00 0.00 C ATOM 892 C MET A 60 9.643 10.077 -5.441 1.00 0.00 C ATOM 893 O MET A 60 10.402 9.176 -5.769 1.00 0.00 O ATOM 894 CB MET A 60 9.373 10.604 -3.052 1.00 0.00 C ATOM 895 CG MET A 60 9.928 11.323 -1.835 1.00 0.00 C ATOM 896 SD MET A 60 8.924 11.053 -0.365 1.00 0.00 S ATOM 897 CE MET A 60 10.072 11.708 0.846 1.00 0.00 C ATOM 0 H MET A 60 9.151 12.875 -3.908 1.00 0.00 H new ATOM 0 HA MET A 60 11.126 11.031 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.301 10.787 -3.121 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.505 9.529 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.945 10.980 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.985 12.392 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.516 12.174 1.659 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.684 10.898 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.715 12.451 0.373 1.00 0.00 H new ATOM 907 N CYS A 61 8.451 10.243 -6.004 1.00 0.00 N ATOM 908 CA CYS A 61 7.966 9.301 -7.004 1.00 0.00 C ATOM 909 C CYS A 61 8.813 9.300 -8.281 1.00 0.00 C ATOM 910 O CYS A 61 8.795 8.320 -9.021 1.00 0.00 O ATOM 911 CB CYS A 61 6.492 9.580 -7.306 1.00 0.00 C ATOM 912 SG CYS A 61 5.808 8.213 -8.275 1.00 0.00 S ATOM 0 H CYS A 61 7.812 11.009 -5.789 1.00 0.00 H new ATOM 0 HA CYS A 61 8.060 8.298 -6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.935 9.696 -6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.393 10.516 -7.856 1.00 0.00 H new ATOM 0 HG CYS A 61 6.749 7.678 -8.995 1.00 0.00 H new ATOM 917 N LYS A 62 9.565 10.373 -8.545 1.00 0.00 N ATOM 918 CA LYS A 62 10.551 10.410 -9.619 1.00 0.00 C ATOM 919 C LYS A 62 11.893 9.917 -9.068 1.00 0.00 C ATOM 920 O LYS A 62 12.595 9.120 -9.689 1.00 0.00 O ATOM 921 CB LYS A 62 10.694 11.837 -10.171 1.00 0.00 C ATOM 922 CG LYS A 62 9.457 12.374 -10.909 1.00 0.00 C ATOM 923 CD LYS A 62 8.278 12.696 -9.978 1.00 0.00 C ATOM 924 CE LYS A 62 7.242 13.571 -10.687 1.00 0.00 C ATOM 925 NZ LYS A 62 6.101 13.858 -9.799 1.00 0.00 N ATOM 0 H LYS A 62 9.503 11.242 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 62 10.226 9.765 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.926 12.509 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.545 11.864 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.733 13.275 -11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.136 11.638 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.810 11.770 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.643 13.207 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.705 14.505 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.890 13.068 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.506 14.597 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.538 12.994 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.453 14.187 -8.877 1.00 0.00 H new ATOM 939 N LEU A 63 12.252 10.413 -7.883 1.00 0.00 N ATOM 940 CA LEU A 63 13.545 10.157 -7.267 1.00 0.00 C ATOM 941 C LEU A 63 13.774 8.670 -6.984 1.00 0.00 C ATOM 942 O LEU A 63 14.868 8.159 -7.200 1.00 0.00 O ATOM 943 CB LEU A 63 13.754 11.122 -6.089 1.00 0.00 C ATOM 944 CG LEU A 63 13.938 10.595 -4.658 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.241 9.805 -4.495 1.00 0.00 C ATOM 946 CD2 LEU A 63 13.979 11.826 -3.742 1.00 0.00 C ATOM 0 H LEU A 63 11.644 11.009 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 63 14.348 10.380 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.631 11.725 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.898 11.797 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 63 13.122 9.916 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.327 9.453 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.236 8.951 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.089 10.449 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.109 11.506 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.812 12.467 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.045 12.380 -3.836 1.00 0.00 H new ATOM 958 N LYS A 64 12.743 7.958 -6.533 1.00 0.00 N ATOM 959 CA LYS A 64 12.816 6.531 -6.253 1.00 0.00 C ATOM 960 C LYS A 64 13.241 5.724 -7.489 1.00 0.00 C ATOM 961 O LYS A 64 14.293 5.087 -7.435 1.00 0.00 O ATOM 962 CB LYS A 64 11.525 6.051 -5.572 1.00 0.00 C ATOM 963 CG LYS A 64 11.535 4.553 -5.217 1.00 0.00 C ATOM 964 CD LYS A 64 10.811 3.633 -6.213 1.00 0.00 C ATOM 965 CE LYS A 64 9.284 3.808 -6.228 1.00 0.00 C ATOM 966 NZ LYS A 64 8.670 3.436 -4.940 1.00 0.00 N ATOM 0 H LYS A 64 11.825 8.363 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 64 13.614 6.346 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.367 6.630 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.680 6.254 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.571 4.224 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.079 4.427 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.198 3.822 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.045 2.596 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.041 4.845 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.857 3.196 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.635 3.422 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.003 2.492 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.938 4.131 -4.214 1.00 0.00 H new ATOM 980 N PRO A 65 12.489 5.721 -8.605 1.00 0.00 N ATOM 981 CA PRO A 65 12.908 5.006 -9.801 1.00 0.00 C ATOM 982 C PRO A 65 14.257 5.520 -10.314 1.00 0.00 C ATOM 983 O PRO A 65 15.099 4.717 -10.709 1.00 0.00 O ATOM 984 CB PRO A 65 11.774 5.149 -10.819 1.00 0.00 C ATOM 985 CG PRO A 65 10.992 6.369 -10.338 1.00 0.00 C ATOM 986 CD PRO A 65 11.194 6.346 -8.821 1.00 0.00 C ATOM 0 HA PRO A 65 13.078 3.949 -9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.160 5.296 -11.828 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.147 4.258 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.373 7.290 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.937 6.300 -10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.172 7.354 -8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.401 5.783 -8.329 1.00 0.00 H new ATOM 994 N LEU A 66 14.493 6.836 -10.277 1.00 0.00 N ATOM 995 CA LEU A 66 15.788 7.419 -10.621 1.00 0.00 C ATOM 996 C LEU A 66 16.930 6.735 -9.844 1.00 0.00 C ATOM 997 O LEU A 66 17.893 6.254 -10.450 1.00 0.00 O ATOM 998 CB LEU A 66 15.692 8.941 -10.422 1.00 0.00 C ATOM 999 CG LEU A 66 17.007 9.734 -10.486 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.779 11.073 -11.197 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.514 10.035 -9.072 1.00 0.00 C ATOM 0 H LEU A 66 13.790 7.524 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 66 16.038 7.242 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.018 9.340 -11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.230 9.128 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 66 17.737 9.134 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.716 11.628 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.421 10.891 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.037 11.654 -10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.446 10.597 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.769 10.623 -8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.688 9.099 -8.541 1.00 0.00 H new ATOM 1013 N LEU A 67 16.823 6.648 -8.515 1.00 0.00 N ATOM 1014 CA LEU A 67 17.812 5.975 -7.689 1.00 0.00 C ATOM 1015 C LEU A 67 17.840 4.476 -7.965 1.00 0.00 C ATOM 1016 O LEU A 67 18.911 3.876 -7.965 1.00 0.00 O ATOM 1017 CB LEU A 67 17.543 6.213 -6.200 1.00 0.00 C ATOM 1018 CG LEU A 67 17.897 7.610 -5.674 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.867 7.580 -4.150 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.276 8.123 -6.099 1.00 0.00 C ATOM 0 H LEU A 67 16.045 7.045 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 67 18.783 6.398 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.486 6.029 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.105 5.476 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 67 17.159 8.286 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.117 8.567 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.870 7.299 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.593 6.853 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.439 9.116 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.046 7.444 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.326 8.174 -7.187 1.00 0.00 H new ATOM 1032 N GLU A 68 16.683 3.852 -8.182 1.00 0.00 N ATOM 1033 CA GLU A 68 16.616 2.433 -8.493 1.00 0.00 C ATOM 1034 C GLU A 68 17.457 2.137 -9.739 1.00 0.00 C ATOM 1035 O GLU A 68 18.271 1.216 -9.743 1.00 0.00 O ATOM 1036 CB GLU A 68 15.152 2.015 -8.670 1.00 0.00 C ATOM 1037 CG GLU A 68 14.983 0.493 -8.667 1.00 0.00 C ATOM 1038 CD GLU A 68 13.512 0.122 -8.814 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.800 0.223 -7.791 1.00 0.00 O ATOM 1040 OE2 GLU A 68 13.125 -0.231 -9.949 1.00 0.00 O ATOM 0 H GLU A 68 15.775 4.315 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 68 17.030 1.847 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.553 2.447 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.771 2.420 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.558 0.055 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.378 0.079 -7.740 1.00 0.00 H new ATOM 1047 N LYS A 69 17.278 2.934 -10.796 1.00 0.00 N ATOM 1048 CA LYS A 69 18.035 2.772 -12.025 1.00 0.00 C ATOM 1049 C LYS A 69 19.502 3.164 -11.828 1.00 0.00 C ATOM 1050 O LYS A 69 20.378 2.497 -12.377 1.00 0.00 O ATOM 1051 CB LYS A 69 17.352 3.517 -13.174 1.00 0.00 C ATOM 1052 CG LYS A 69 15.968 2.949 -13.531 1.00 0.00 C ATOM 1053 CD LYS A 69 15.999 1.485 -14.005 1.00 0.00 C ATOM 1054 CE LYS A 69 15.559 0.504 -12.907 1.00 0.00 C ATOM 1055 NZ LYS A 69 15.669 -0.896 -13.357 1.00 0.00 N ATOM 0 H LYS A 69 16.608 3.702 -10.817 1.00 0.00 H new ATOM 0 HA LYS A 69 18.047 1.718 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.247 4.568 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.992 3.476 -14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.319 3.025 -12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.524 3.565 -14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.347 1.373 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.008 1.233 -14.331 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.173 0.651 -12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.529 0.715 -12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.180 -1.517 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.232 -0.994 -14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.672 -1.165 -13.412 1.00 0.00 H new ATOM 1069 N TRP A 70 19.798 4.190 -11.018 1.00 0.00 N ATOM 1070 CA TRP A 70 21.180 4.454 -10.617 1.00 0.00 C ATOM 1071 C TRP A 70 21.799 3.180 -10.032 1.00 0.00 C ATOM 1072 O TRP A 70 22.895 2.783 -10.418 1.00 0.00 O ATOM 1073 CB TRP A 70 21.262 5.607 -9.606 1.00 0.00 C ATOM 1074 CG TRP A 70 22.634 5.858 -9.054 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.532 6.727 -9.557 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.313 5.187 -7.946 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.714 6.631 -8.860 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.652 5.670 -7.874 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.941 4.207 -7.001 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.582 5.176 -6.947 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.865 3.701 -6.067 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.188 4.170 -6.051 1.00 0.00 C ATOM 0 H TRP A 70 19.110 4.838 -10.635 1.00 0.00 H new ATOM 0 HA TRP A 70 21.742 4.755 -11.501 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.905 6.519 -10.085 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.585 5.396 -8.778 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.351 7.398 -10.383 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.537 7.202 -9.050 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.926 3.837 -6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.589 5.565 -6.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.554 2.947 -5.359 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.900 3.758 -5.352 1.00 0.00 H new ATOM 1093 N LEU A 71 21.086 2.540 -9.102 1.00 0.00 N ATOM 1094 CA LEU A 71 21.533 1.327 -8.432 1.00 0.00 C ATOM 1095 C LEU A 71 21.770 0.247 -9.482 1.00 0.00 C ATOM 1096 O LEU A 71 22.851 -0.330 -9.543 1.00 0.00 O ATOM 1097 CB LEU A 71 20.494 0.875 -7.389 1.00 0.00 C ATOM 1098 CG LEU A 71 21.052 0.870 -5.960 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.891 0.674 -4.982 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.081 -0.247 -5.751 1.00 0.00 C ATOM 0 H LEU A 71 20.168 2.859 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 71 22.465 1.517 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.629 1.536 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.144 -0.126 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 71 21.555 1.821 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.272 0.668 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.176 1.489 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.396 -0.275 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.450 -0.214 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.612 -1.213 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.913 -0.109 -6.441 1.00 0.00 H new ATOM 1112 N ASN A 72 20.767 0.006 -10.330 1.00 0.00 N ATOM 1113 CA ASN A 72 20.842 -0.965 -11.414 1.00 0.00 C ATOM 1114 C ASN A 72 22.096 -0.738 -12.258 1.00 0.00 C ATOM 1115 O ASN A 72 22.784 -1.702 -12.589 1.00 0.00 O ATOM 1116 CB ASN A 72 19.579 -0.869 -12.279 1.00 0.00 C ATOM 1117 CG ASN A 72 19.362 -2.034 -13.249 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.236 -2.237 -13.692 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.385 -2.809 -13.606 1.00 0.00 N ATOM 0 H ASN A 72 19.870 0.489 -10.279 1.00 0.00 H new ATOM 0 HA ASN A 72 20.904 -1.967 -10.989 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.712 -0.799 -11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.620 0.057 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.237 -3.582 -14.255 1.00 0.00 H new ATOM 0 HD22 ASN A 72 21.316 -2.629 -13.230 1.00 0.00 H new ATOM 1126 N ASP A 73 22.370 0.516 -12.632 1.00 0.00 N ATOM 1127 CA ASP A 73 23.532 0.868 -13.434 1.00 0.00 C ATOM 1128 C ASP A 73 24.822 0.576 -12.664 1.00 0.00 C ATOM 1129 O ASP A 73 25.690 -0.136 -13.162 1.00 0.00 O ATOM 1130 CB ASP A 73 23.453 2.340 -13.853 1.00 0.00 C ATOM 1131 CG ASP A 73 24.639 2.726 -14.730 1.00 0.00 C ATOM 1132 OD1 ASP A 73 25.682 3.096 -14.150 1.00 0.00 O ATOM 1133 OD2 ASP A 73 24.478 2.645 -15.967 1.00 0.00 O ATOM 0 H ASP A 73 21.786 1.314 -12.383 1.00 0.00 H new ATOM 0 HA ASP A 73 23.540 0.258 -14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.524 2.518 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.432 2.973 -12.966 1.00 0.00 H new ATOM 1138 N ALA A 74 24.941 1.126 -11.451 1.00 0.00 N ATOM 1139 CA ALA A 74 26.107 0.947 -10.593 1.00 0.00 C ATOM 1140 C ALA A 74 26.423 -0.541 -10.422 1.00 0.00 C ATOM 1141 O ALA A 74 27.565 -0.968 -10.575 1.00 0.00 O ATOM 1142 CB ALA A 74 25.862 1.628 -9.241 1.00 0.00 C ATOM 0 H ALA A 74 24.219 1.715 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 74 26.974 1.414 -11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.735 1.493 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.687 2.693 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.989 1.183 -8.762 1.00 0.00 H new ATOM 1148 N GLU A 75 25.392 -1.337 -10.137 1.00 0.00 N ATOM 1149 CA GLU A 75 25.470 -2.786 -10.154 1.00 0.00 C ATOM 1150 C GLU A 75 25.697 -3.243 -11.597 1.00 0.00 C ATOM 1151 O GLU A 75 25.541 -4.424 -11.906 1.00 0.00 O ATOM 1152 CB GLU A 75 24.177 -3.369 -9.568 1.00 0.00 C ATOM 1153 CG GLU A 75 24.000 -2.986 -8.090 1.00 0.00 C ATOM 1154 CD GLU A 75 22.627 -3.394 -7.564 1.00 0.00 C ATOM 1155 OE1 GLU A 75 21.627 -2.892 -8.124 1.00 0.00 O ATOM 1156 OE2 GLU A 75 22.599 -4.193 -6.603 1.00 0.00 O ATOM 0 H GLU A 75 24.470 -0.982 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 75 26.301 -3.141 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.323 -3.010 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.191 -4.455 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.776 -3.466 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.129 -1.910 -7.974 1.00 0.00 H new TER 1163 GLU A 75