USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1063 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 41 GLN : amide:sc= -2.93 K(o=-6.7,f=-11!) USER MOD Set 1.2: A 72 MET CE :methyl -157:sc= -3.64! (180deg=-3.93!) USER MOD Set 1.3: A 76 MET CE :methyl -126:sc= -0.0873 (180deg=-1.12) USER MOD Set 2.1: A 36 MET CE :methyl -179:sc= -5.39! (180deg=-4.67!) USER MOD Set 2.2: A 75 GLN : amide:sc= -5.83! C(o=-11!,f=-16!) USER MOD Set 3.1: A 58 ASN : amide:sc= 0 K(o=0.41,f=-0.96) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= 0.406 F(o=-3.3!,f=0.41) USER MOD Set 4.1: A 5 THR OG1 : rot 97:sc= 1.17 USER MOD Set 4.2: A 8 GLN : amide:sc= 0.649 K(o=1.8,f=-0.44) USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= 0.345 (180deg=-1.8!) USER MOD Single : A 18 GLN :FLIP amide:sc= 0.944 F(o=-0.81,f=0.94) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -46:sc= 0.884 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -27:sc= 0.174 USER MOD Single : A 42 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.17) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.475 F(o=-2.8,f=-0.47) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.828 F(o=-3.4!,f=-0.83) USER MOD Single : A 62 GLN : amide:sc= -7.62! C(o=-7.6!,f=-8!) USER MOD Single : A 64 ASN : amide:sc= -4! X(o=-4!,f=-3.9) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.66 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0393 (180deg=-0.281) USER MOD Single : A 85 MET CE :methyl -122:sc= -2.63! (180deg=-4.15!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -74:sc= 0.655 USER MOD Single : A 109 MET CE :methyl -167:sc= -8.21! (180deg=-9.64!) USER MOD Single : A 111 ASN :FLIP amide:sc= -1.63 F(o=-2.4!,f=-1.6) USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= -1.63! (180deg=-3.93!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 124 MET CE :methyl 166:sc= -0.317 (180deg=-0.536) USER MOD Single : A 135 MET CE :methyl -159:sc= -1.51 (180deg=-2.34!) USER MOD Single : A 137 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 172:sc= -3.18 (180deg=-3.48) USER MOD Single : A 146 SER OG : rot 80:sc= 1.06 USER MOD Single : A 147 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 171:sc= -0.721 (180deg=-0.83) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.234 -14.028 1.614 1.00 0.87 N ATOM 13 CA GLU A 3 11.579 -13.975 3.033 1.00 0.57 C ATOM 14 C GLU A 3 12.945 -13.324 3.230 1.00 0.48 C ATOM 15 O GLU A 3 13.622 -12.980 2.261 1.00 0.55 O ATOM 16 CB GLU A 3 11.594 -15.384 3.636 1.00 0.70 C ATOM 17 CG GLU A 3 10.237 -16.068 3.643 1.00 1.23 C ATOM 18 CD GLU A 3 10.291 -17.468 4.220 1.00 1.78 C ATOM 19 OE1 GLU A 3 10.166 -17.607 5.455 1.00 2.49 O ATOM 20 OE2 GLU A 3 10.461 -18.427 3.437 1.00 2.20 O ATOM 0 HA GLU A 3 10.822 -13.377 3.540 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.297 -16.000 3.076 1.00 0.70 H new ATOM 0 HB3 GLU A 3 11.966 -15.326 4.659 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.535 -15.468 4.222 1.00 1.23 H new ATOM 0 HG3 GLU A 3 9.853 -16.114 2.624 1.00 1.23 H new ATOM 27 N LEU A 4 13.342 -13.154 4.488 1.00 0.44 N ATOM 28 CA LEU A 4 14.632 -12.550 4.804 1.00 0.39 C ATOM 29 C LEU A 4 15.631 -13.608 5.268 1.00 0.37 C ATOM 30 O LEU A 4 15.915 -13.729 6.461 1.00 0.45 O ATOM 31 CB LEU A 4 14.481 -11.472 5.885 1.00 0.47 C ATOM 32 CG LEU A 4 13.685 -10.224 5.482 1.00 0.43 C ATOM 33 CD1 LEU A 4 13.776 -9.166 6.568 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.179 -9.669 4.156 1.00 1.25 C ATOM 0 H LEU A 4 12.791 -13.425 5.302 1.00 0.44 H new ATOM 0 HA LEU A 4 15.010 -12.085 3.893 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.000 -11.921 6.754 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.476 -11.158 6.199 1.00 0.47 H new ATOM 0 HG LEU A 4 12.640 -10.511 5.360 1.00 0.43 H new ATOM 0 HD11 LEU A 4 13.206 -8.287 6.268 1.00 1.12 H new ATOM 0 HD12 LEU A 4 13.368 -9.563 7.498 1.00 1.12 H new ATOM 0 HD13 LEU A 4 14.819 -8.888 6.719 1.00 1.12 H new ATOM 0 HD21 LEU A 4 13.599 -8.785 3.893 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.231 -9.399 4.244 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.062 -10.424 3.379 1.00 1.25 H new ATOM 46 N THR A 5 16.157 -14.375 4.318 1.00 0.35 N ATOM 47 CA THR A 5 17.129 -15.421 4.625 1.00 0.37 C ATOM 48 C THR A 5 18.550 -14.869 4.542 1.00 0.35 C ATOM 49 O THR A 5 18.761 -13.779 4.026 1.00 0.39 O ATOM 50 CB THR A 5 16.983 -16.614 3.658 1.00 0.40 C ATOM 51 OG1 THR A 5 15.608 -17.008 3.574 1.00 0.46 O ATOM 52 CG2 THR A 5 17.819 -17.802 4.117 1.00 0.47 C ATOM 0 H THR A 5 15.927 -14.292 3.328 1.00 0.35 H new ATOM 0 HA THR A 5 16.935 -15.768 5.640 1.00 0.37 H new ATOM 0 HB THR A 5 17.339 -16.297 2.678 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.199 -16.602 2.781 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.695 -18.627 3.415 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.870 -17.514 4.157 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.491 -18.116 5.108 1.00 0.47 H new ATOM 60 N GLU A 6 19.518 -15.613 5.062 1.00 0.36 N ATOM 61 CA GLU A 6 20.916 -15.184 5.039 1.00 0.37 C ATOM 62 C GLU A 6 21.330 -14.678 3.655 1.00 0.33 C ATOM 63 O GLU A 6 21.988 -13.643 3.530 1.00 0.34 O ATOM 64 CB GLU A 6 21.824 -16.341 5.458 1.00 0.45 C ATOM 65 CG GLU A 6 21.632 -17.600 4.626 1.00 0.87 C ATOM 66 CD GLU A 6 22.556 -18.726 5.051 1.00 0.98 C ATOM 67 OE1 GLU A 6 23.698 -18.777 4.549 1.00 1.20 O ATOM 68 OE2 GLU A 6 22.136 -19.555 5.886 1.00 1.17 O ATOM 0 H GLU A 6 19.363 -16.518 5.506 1.00 0.36 H new ATOM 0 HA GLU A 6 21.021 -14.359 5.744 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.863 -16.021 5.383 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.638 -16.576 6.506 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.597 -17.932 4.710 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.808 -17.367 3.576 1.00 0.87 H new ATOM 75 N GLU A 7 20.925 -15.407 2.619 1.00 0.34 N ATOM 76 CA GLU A 7 21.262 -15.053 1.245 1.00 0.35 C ATOM 77 C GLU A 7 20.453 -13.857 0.760 1.00 0.30 C ATOM 78 O GLU A 7 21.010 -12.886 0.249 1.00 0.30 O ATOM 79 CB GLU A 7 21.029 -16.249 0.318 1.00 0.44 C ATOM 80 CG GLU A 7 19.672 -16.914 0.498 1.00 0.47 C ATOM 81 CD GLU A 7 19.441 -18.037 -0.494 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.972 -17.751 -1.616 1.00 0.64 O ATOM 83 OE2 GLU A 7 19.728 -19.203 -0.150 1.00 0.61 O ATOM 0 H GLU A 7 20.360 -16.251 2.707 1.00 0.34 H new ATOM 0 HA GLU A 7 22.316 -14.778 1.224 1.00 0.35 H new ATOM 0 HB2 GLU A 7 21.126 -15.919 -0.716 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.811 -16.988 0.492 1.00 0.44 H new ATOM 0 HG2 GLU A 7 19.595 -17.307 1.512 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.887 -16.167 0.385 1.00 0.47 H new ATOM 90 N GLN A 8 19.138 -13.937 0.918 1.00 0.30 N ATOM 91 CA GLN A 8 18.248 -12.866 0.494 1.00 0.30 C ATOM 92 C GLN A 8 18.622 -11.547 1.165 1.00 0.25 C ATOM 93 O GLN A 8 18.727 -10.515 0.506 1.00 0.24 O ATOM 94 CB GLN A 8 16.804 -13.243 0.819 1.00 0.35 C ATOM 95 CG GLN A 8 16.297 -14.423 0.006 1.00 0.45 C ATOM 96 CD GLN A 8 14.902 -14.858 0.411 1.00 0.72 C ATOM 97 OE1 GLN A 8 14.733 -15.692 1.300 1.00 1.32 O ATOM 98 NE2 GLN A 8 13.894 -14.295 -0.244 1.00 1.02 N ATOM 0 H GLN A 8 18.664 -14.736 1.338 1.00 0.30 H new ATOM 0 HA GLN A 8 18.350 -12.731 -0.583 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.727 -13.481 1.880 1.00 0.35 H new ATOM 0 HB3 GLN A 8 16.161 -12.382 0.638 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.297 -14.157 -1.051 1.00 0.45 H new ATOM 0 HG3 GLN A 8 16.983 -15.262 0.124 1.00 0.45 H new ATOM 0 HE21 GLN A 8 14.081 -13.608 -0.974 1.00 1.02 H new ATOM 0 HE22 GLN A 8 12.933 -14.550 -0.017 1.00 1.02 H new ATOM 107 N ILE A 9 18.823 -11.595 2.477 1.00 0.25 N ATOM 108 CA ILE A 9 19.198 -10.413 3.242 1.00 0.26 C ATOM 109 C ILE A 9 20.450 -9.774 2.658 1.00 0.25 C ATOM 110 O ILE A 9 20.478 -8.576 2.382 1.00 0.27 O ATOM 111 CB ILE A 9 19.442 -10.754 4.727 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.126 -11.150 5.402 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.080 -9.576 5.451 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.301 -11.679 6.810 1.00 0.45 C ATOM 0 H ILE A 9 18.732 -12.444 3.035 1.00 0.25 H new ATOM 0 HA ILE A 9 18.367 -9.710 3.180 1.00 0.26 H new ATOM 0 HB ILE A 9 20.129 -11.599 4.780 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.466 -10.283 5.428 1.00 0.37 H new ATOM 0 HG13 ILE A 9 17.631 -11.909 4.797 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.244 -9.837 6.497 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.035 -9.335 4.983 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.419 -8.711 5.392 1.00 0.34 H new ATOM 0 HD11 ILE A 9 17.327 -11.939 7.225 1.00 0.45 H new ATOM 0 HD12 ILE A 9 18.935 -12.565 6.789 1.00 0.45 H new ATOM 0 HD13 ILE A 9 18.767 -10.914 7.431 1.00 0.45 H new ATOM 126 N ALA A 10 21.483 -10.586 2.468 1.00 0.26 N ATOM 127 CA ALA A 10 22.741 -10.106 1.915 1.00 0.28 C ATOM 128 C ALA A 10 22.588 -9.715 0.447 1.00 0.24 C ATOM 129 O ALA A 10 23.418 -8.989 -0.102 1.00 0.25 O ATOM 130 CB ALA A 10 23.811 -11.177 2.065 1.00 0.36 C ATOM 0 H ALA A 10 21.473 -11.582 2.690 1.00 0.26 H new ATOM 0 HA ALA A 10 23.040 -9.216 2.468 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.751 -10.813 1.650 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.947 -11.410 3.121 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.503 -12.076 1.532 1.00 0.36 H new ATOM 136 N GLU A 11 21.511 -10.184 -0.178 1.00 0.24 N ATOM 137 CA GLU A 11 21.262 -9.901 -1.587 1.00 0.25 C ATOM 138 C GLU A 11 20.822 -8.454 -1.800 1.00 0.22 C ATOM 139 O GLU A 11 21.446 -7.717 -2.566 1.00 0.22 O ATOM 140 CB GLU A 11 20.204 -10.859 -2.138 1.00 0.31 C ATOM 141 CG GLU A 11 19.981 -10.727 -3.635 1.00 0.40 C ATOM 142 CD GLU A 11 18.957 -11.715 -4.160 1.00 1.06 C ATOM 143 OE1 GLU A 11 19.338 -12.871 -4.440 1.00 1.02 O ATOM 144 OE2 GLU A 11 17.775 -11.333 -4.290 1.00 1.93 O ATOM 0 H GLU A 11 20.798 -10.761 0.269 1.00 0.24 H new ATOM 0 HA GLU A 11 22.198 -10.048 -2.127 1.00 0.25 H new ATOM 0 HB2 GLU A 11 20.501 -11.883 -1.913 1.00 0.31 H new ATOM 0 HB3 GLU A 11 19.261 -10.680 -1.622 1.00 0.31 H new ATOM 0 HG2 GLU A 11 19.652 -9.713 -3.862 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.927 -10.879 -4.155 1.00 0.40 H new ATOM 151 N PHE A 12 19.754 -8.042 -1.120 1.00 0.21 N ATOM 152 CA PHE A 12 19.257 -6.679 -1.264 1.00 0.23 C ATOM 153 C PHE A 12 20.078 -5.705 -0.430 1.00 0.20 C ATOM 154 O PHE A 12 20.147 -4.521 -0.749 1.00 0.22 O ATOM 155 CB PHE A 12 17.775 -6.581 -0.905 1.00 0.29 C ATOM 156 CG PHE A 12 17.439 -7.012 0.488 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.718 -6.187 1.563 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.867 -8.251 0.729 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.430 -6.585 2.849 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.579 -8.656 2.015 1.00 0.28 C ATOM 161 CZ PHE A 12 16.773 -7.800 3.062 1.00 0.33 C ATOM 0 H PHE A 12 19.223 -8.625 -0.473 1.00 0.21 H new ATOM 0 HA PHE A 12 19.364 -6.404 -2.313 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.450 -5.549 -1.040 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.204 -7.189 -1.607 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.167 -5.220 1.391 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.644 -8.907 -0.100 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.710 -5.963 3.687 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.200 -9.651 2.195 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.421 -8.061 4.049 1.00 0.33 H new ATOM 171 N LYS A 13 20.688 -6.196 0.645 1.00 0.18 N ATOM 172 CA LYS A 13 21.522 -5.344 1.481 1.00 0.21 C ATOM 173 C LYS A 13 22.731 -4.897 0.670 1.00 0.19 C ATOM 174 O LYS A 13 23.185 -3.759 0.782 1.00 0.24 O ATOM 175 CB LYS A 13 21.956 -6.075 2.757 1.00 0.26 C ATOM 176 CG LYS A 13 23.124 -5.417 3.483 1.00 0.31 C ATOM 177 CD LYS A 13 22.811 -3.979 3.873 1.00 0.40 C ATOM 178 CE LYS A 13 23.907 -3.386 4.745 1.00 0.68 C ATOM 179 NZ LYS A 13 23.639 -1.960 5.081 1.00 1.53 N ATOM 0 H LYS A 13 20.621 -7.166 0.953 1.00 0.18 H new ATOM 0 HA LYS A 13 20.949 -4.471 1.793 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.106 -6.134 3.437 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.231 -7.098 2.501 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.366 -5.991 4.377 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.006 -5.436 2.843 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.693 -3.375 2.974 1.00 0.40 H new ATOM 0 HD3 LYS A 13 21.861 -3.944 4.407 1.00 0.40 H new ATOM 0 HE2 LYS A 13 23.993 -3.966 5.664 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.864 -3.464 4.229 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 24.534 -1.431 5.089 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 23.001 -1.550 4.370 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 23.195 -1.902 6.020 1.00 1.53 H new ATOM 193 N ASP A 14 23.246 -5.810 -0.151 1.00 0.16 N ATOM 194 CA ASP A 14 24.371 -5.502 -1.020 1.00 0.19 C ATOM 195 C ASP A 14 23.925 -4.479 -2.056 1.00 0.18 C ATOM 196 O ASP A 14 24.626 -3.506 -2.328 1.00 0.20 O ATOM 197 CB ASP A 14 24.882 -6.768 -1.711 1.00 0.23 C ATOM 198 CG ASP A 14 26.082 -6.500 -2.598 1.00 0.30 C ATOM 199 OD1 ASP A 14 25.880 -6.198 -3.793 1.00 0.39 O ATOM 200 OD2 ASP A 14 27.223 -6.591 -2.098 1.00 0.38 O ATOM 0 H ASP A 14 22.900 -6.766 -0.230 1.00 0.16 H new ATOM 0 HA ASP A 14 25.187 -5.093 -0.424 1.00 0.19 H new ATOM 0 HB2 ASP A 14 25.150 -7.507 -0.956 1.00 0.23 H new ATOM 0 HB3 ASP A 14 24.080 -7.200 -2.310 1.00 0.23 H new ATOM 205 N ALA A 15 22.744 -4.714 -2.628 1.00 0.17 N ATOM 206 CA ALA A 15 22.172 -3.806 -3.614 1.00 0.19 C ATOM 207 C ALA A 15 21.890 -2.454 -2.971 1.00 0.20 C ATOM 208 O ALA A 15 21.816 -1.429 -3.647 1.00 0.24 O ATOM 209 CB ALA A 15 20.888 -4.393 -4.192 1.00 0.22 C ATOM 0 H ALA A 15 22.166 -5.529 -2.423 1.00 0.17 H new ATOM 0 HA ALA A 15 22.887 -3.670 -4.425 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.472 -3.704 -4.927 1.00 0.22 H new ATOM 0 HB2 ALA A 15 21.108 -5.347 -4.672 1.00 0.22 H new ATOM 0 HB3 ALA A 15 20.166 -4.548 -3.390 1.00 0.22 H new ATOM 215 N PHE A 16 21.733 -2.474 -1.652 1.00 0.21 N ATOM 216 CA PHE A 16 21.460 -1.270 -0.879 1.00 0.25 C ATOM 217 C PHE A 16 22.745 -0.480 -0.652 1.00 0.23 C ATOM 218 O PHE A 16 22.736 0.751 -0.637 1.00 0.24 O ATOM 219 CB PHE A 16 20.815 -1.656 0.459 1.00 0.31 C ATOM 220 CG PHE A 16 20.854 -0.579 1.508 1.00 0.35 C ATOM 221 CD1 PHE A 16 19.844 0.365 1.593 1.00 0.43 C ATOM 222 CD2 PHE A 16 21.899 -0.521 2.417 1.00 0.41 C ATOM 223 CE1 PHE A 16 19.876 1.349 2.563 1.00 0.52 C ATOM 224 CE2 PHE A 16 21.936 0.460 3.389 1.00 0.50 C ATOM 225 CZ PHE A 16 20.925 1.395 3.462 1.00 0.54 C ATOM 0 H PHE A 16 21.791 -3.324 -1.091 1.00 0.21 H new ATOM 0 HA PHE A 16 20.769 -0.635 -1.434 1.00 0.25 H new ATOM 0 HB2 PHE A 16 19.776 -1.933 0.280 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.318 -2.541 0.848 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.022 0.332 0.893 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.693 -1.251 2.365 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.083 2.080 2.618 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.756 0.495 4.091 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.953 2.163 4.221 1.00 0.54 H new ATOM 235 N VAL A 17 23.847 -1.200 -0.479 1.00 0.23 N ATOM 236 CA VAL A 17 25.138 -0.584 -0.261 1.00 0.24 C ATOM 237 C VAL A 17 25.623 0.102 -1.533 1.00 0.23 C ATOM 238 O VAL A 17 26.357 1.089 -1.483 1.00 0.28 O ATOM 239 CB VAL A 17 26.153 -1.645 0.200 1.00 0.28 C ATOM 240 CG1 VAL A 17 27.098 -2.050 -0.921 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.911 -1.160 1.415 1.00 0.76 C ATOM 0 H VAL A 17 23.865 -2.220 -0.487 1.00 0.23 H new ATOM 0 HA VAL A 17 25.041 0.172 0.518 1.00 0.24 H new ATOM 0 HB VAL A 17 25.596 -2.539 0.480 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.798 -2.800 -0.553 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.523 -2.465 -1.749 1.00 0.90 H new ATOM 0 HG13 VAL A 17 27.651 -1.176 -1.265 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.624 -1.923 1.727 1.00 0.76 H new ATOM 0 HG22 VAL A 17 27.446 -0.243 1.168 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.210 -0.964 2.227 1.00 0.76 H new ATOM 251 N GLN A 18 25.200 -0.437 -2.671 1.00 0.20 N ATOM 252 CA GLN A 18 25.568 0.113 -3.967 1.00 0.21 C ATOM 253 C GLN A 18 24.916 1.474 -4.165 1.00 0.21 C ATOM 254 O GLN A 18 25.310 2.246 -5.041 1.00 0.26 O ATOM 255 CB GLN A 18 25.135 -0.841 -5.083 1.00 0.24 C ATOM 256 CG GLN A 18 25.789 -2.212 -5.004 1.00 0.29 C ATOM 257 CD GLN A 18 25.244 -3.182 -6.035 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.818 -2.658 -7.179 1.00 1.86 O flip ATOM 259 NE2 GLN A 18 25.208 -4.391 -5.806 1.00 1.60 N flip ATOM 0 H GLN A 18 24.598 -1.259 -2.720 1.00 0.20 H new ATOM 0 HA GLN A 18 26.651 0.233 -4.002 1.00 0.21 H new ATOM 0 HB2 GLN A 18 24.052 -0.962 -5.046 1.00 0.24 H new ATOM 0 HB3 GLN A 18 25.372 -0.390 -6.047 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.865 -2.105 -5.145 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.637 -2.625 -4.007 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.546 -4.751 -4.914 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.841 -5.032 -6.509 1.00 1.60 H new ATOM 268 N PHE A 19 23.913 1.760 -3.340 1.00 0.22 N ATOM 269 CA PHE A 19 23.193 3.023 -3.411 1.00 0.25 C ATOM 270 C PHE A 19 23.737 4.020 -2.393 1.00 0.23 C ATOM 271 O PHE A 19 23.440 5.212 -2.464 1.00 0.32 O ATOM 272 CB PHE A 19 21.696 2.795 -3.177 1.00 0.29 C ATOM 273 CG PHE A 19 20.973 2.211 -4.362 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.517 1.145 -5.059 1.00 0.44 C ATOM 275 CD2 PHE A 19 19.753 2.724 -4.779 1.00 0.64 C ATOM 276 CE1 PHE A 19 20.860 0.601 -6.147 1.00 0.46 C ATOM 277 CE2 PHE A 19 19.093 2.185 -5.866 1.00 0.69 C ATOM 278 CZ PHE A 19 19.628 1.142 -6.550 1.00 0.42 C ATOM 0 H PHE A 19 23.581 1.129 -2.611 1.00 0.22 H new ATOM 0 HA PHE A 19 23.337 3.439 -4.408 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.569 2.130 -2.323 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.231 3.745 -2.913 1.00 0.29 H new ATOM 0 HD1 PHE A 19 22.466 0.734 -4.749 1.00 0.44 H new ATOM 0 HD2 PHE A 19 19.314 3.555 -4.247 1.00 0.64 H new ATOM 0 HE1 PHE A 19 21.290 -0.233 -6.682 1.00 0.46 H new ATOM 0 HE2 PHE A 19 18.143 2.597 -6.174 1.00 0.69 H new ATOM 0 HZ PHE A 19 19.108 0.729 -7.402 1.00 0.42 H new ATOM 288 N ASP A 20 24.528 3.525 -1.442 1.00 0.25 N ATOM 289 CA ASP A 20 25.115 4.386 -0.419 1.00 0.24 C ATOM 290 C ASP A 20 25.941 5.498 -1.059 1.00 0.24 C ATOM 291 O ASP A 20 27.072 5.274 -1.490 1.00 0.29 O ATOM 292 CB ASP A 20 25.986 3.561 0.530 1.00 0.28 C ATOM 293 CG ASP A 20 26.671 4.417 1.577 1.00 0.32 C ATOM 294 OD1 ASP A 20 27.791 4.900 1.309 1.00 0.37 O ATOM 295 OD2 ASP A 20 26.088 4.602 2.667 1.00 0.37 O ATOM 0 H ASP A 20 24.775 2.539 -1.359 1.00 0.25 H new ATOM 0 HA ASP A 20 24.306 4.843 0.151 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.369 2.811 1.025 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.740 3.025 -0.047 1.00 0.28 H new ATOM 300 N LYS A 21 25.365 6.698 -1.119 1.00 0.24 N ATOM 301 CA LYS A 21 26.045 7.843 -1.718 1.00 0.30 C ATOM 302 C LYS A 21 26.658 8.751 -0.658 1.00 0.29 C ATOM 303 O LYS A 21 27.872 8.954 -0.631 1.00 0.33 O ATOM 304 CB LYS A 21 25.069 8.641 -2.583 1.00 0.36 C ATOM 305 CG LYS A 21 24.664 7.921 -3.859 1.00 0.90 C ATOM 306 CD LYS A 21 25.810 7.857 -4.859 1.00 1.04 C ATOM 307 CE LYS A 21 26.154 9.233 -5.411 1.00 1.70 C ATOM 308 NZ LYS A 21 27.270 9.173 -6.394 1.00 2.47 N ATOM 0 H LYS A 21 24.432 6.901 -0.761 1.00 0.24 H new ATOM 0 HA LYS A 21 26.854 7.459 -2.340 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.175 8.861 -2.000 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.524 9.597 -2.843 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.335 6.910 -3.617 1.00 0.90 H new ATOM 0 HG3 LYS A 21 23.815 8.433 -4.311 1.00 0.90 H new ATOM 0 HD2 LYS A 21 26.689 7.428 -4.378 1.00 1.04 H new ATOM 0 HD3 LYS A 21 25.540 7.193 -5.680 1.00 1.04 H new ATOM 0 HE2 LYS A 21 25.273 9.664 -5.887 1.00 1.70 H new ATOM 0 HE3 LYS A 21 26.428 9.895 -4.590 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 27.474 10.130 -6.746 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 28.118 8.786 -5.933 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 26.999 8.561 -7.190 1.00 2.47 H new ATOM 322 N GLU A 22 25.810 9.300 0.208 1.00 0.27 N ATOM 323 CA GLU A 22 26.263 10.197 1.267 1.00 0.29 C ATOM 324 C GLU A 22 27.431 9.597 2.040 1.00 0.31 C ATOM 325 O GLU A 22 28.442 10.260 2.267 1.00 0.41 O ATOM 326 CB GLU A 22 25.112 10.515 2.223 1.00 0.31 C ATOM 327 CG GLU A 22 23.987 11.309 1.578 1.00 0.35 C ATOM 328 CD GLU A 22 24.444 12.668 1.083 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.383 13.638 1.868 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.862 12.762 -0.090 1.00 0.44 O ATOM 0 H GLU A 22 24.803 9.139 0.197 1.00 0.27 H new ATOM 0 HA GLU A 22 26.605 11.120 0.798 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.708 9.582 2.615 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.501 11.076 3.073 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.578 10.740 0.743 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.180 11.441 2.299 1.00 0.35 H new ATOM 337 N GLY A 23 27.283 8.339 2.443 1.00 0.31 N ATOM 338 CA GLY A 23 28.339 7.671 3.182 1.00 0.34 C ATOM 339 C GLY A 23 27.986 7.458 4.640 1.00 0.34 C ATOM 340 O GLY A 23 28.751 6.850 5.389 1.00 0.39 O ATOM 0 H GLY A 23 26.453 7.771 2.272 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.548 6.707 2.718 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.253 8.261 3.116 1.00 0.34 H new ATOM 344 N THR A 24 26.823 7.959 5.044 1.00 0.34 N ATOM 345 CA THR A 24 26.366 7.820 6.422 1.00 0.38 C ATOM 346 C THR A 24 25.729 6.452 6.650 1.00 0.36 C ATOM 347 O THR A 24 24.841 6.299 7.490 1.00 0.40 O ATOM 348 CB THR A 24 25.343 8.919 6.786 1.00 0.41 C ATOM 349 OG1 THR A 24 25.015 8.844 8.178 1.00 1.23 O ATOM 350 CG2 THR A 24 24.076 8.781 5.956 1.00 1.39 C ATOM 0 H THR A 24 26.179 8.465 4.436 1.00 0.34 H new ATOM 0 HA THR A 24 27.242 7.923 7.062 1.00 0.38 H new ATOM 0 HB THR A 24 25.796 9.887 6.570 1.00 0.41 H new ATOM 0 HG1 THR A 24 24.837 7.912 8.422 1.00 1.23 H new ATOM 0 HG21 THR A 24 23.373 9.567 6.232 1.00 1.39 H new ATOM 0 HG22 THR A 24 24.323 8.870 4.898 1.00 1.39 H new ATOM 0 HG23 THR A 24 23.623 7.807 6.142 1.00 1.39 H new ATOM 358 N GLY A 25 26.195 5.454 5.903 1.00 0.34 N ATOM 359 CA GLY A 25 25.643 4.117 6.028 1.00 0.37 C ATOM 360 C GLY A 25 24.199 4.071 5.578 1.00 0.31 C ATOM 361 O GLY A 25 23.506 3.071 5.769 1.00 0.36 O ATOM 0 H GLY A 25 26.943 5.547 5.216 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.234 3.421 5.432 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.713 3.788 7.065 1.00 0.37 H new ATOM 365 N LYS A 26 23.752 5.169 4.976 1.00 0.27 N ATOM 366 CA LYS A 26 22.386 5.288 4.493 1.00 0.23 C ATOM 367 C LYS A 26 22.363 5.744 3.038 1.00 0.21 C ATOM 368 O LYS A 26 23.315 6.360 2.557 1.00 0.24 O ATOM 369 CB LYS A 26 21.613 6.276 5.366 1.00 0.25 C ATOM 370 CG LYS A 26 21.403 5.780 6.785 1.00 0.29 C ATOM 371 CD LYS A 26 21.121 6.923 7.746 1.00 0.51 C ATOM 372 CE LYS A 26 19.750 7.527 7.500 1.00 0.89 C ATOM 373 NZ LYS A 26 19.416 8.579 8.501 1.00 1.58 N ATOM 0 H LYS A 26 24.326 5.996 4.811 1.00 0.27 H new ATOM 0 HA LYS A 26 21.911 4.309 4.550 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.151 7.224 5.395 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.643 6.473 4.909 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.572 5.075 6.804 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.289 5.237 7.115 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.182 6.561 8.772 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.885 7.692 7.633 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.717 7.956 6.499 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.996 6.741 7.535 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.472 8.965 8.297 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.422 8.165 9.455 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 20.121 9.342 8.451 1.00 1.58 H new ATOM 387 N ILE A 27 21.273 5.435 2.338 1.00 0.19 N ATOM 388 CA ILE A 27 21.141 5.814 0.935 1.00 0.20 C ATOM 389 C ILE A 27 20.017 6.822 0.741 1.00 0.19 C ATOM 390 O ILE A 27 19.071 6.871 1.523 1.00 0.23 O ATOM 391 CB ILE A 27 20.887 4.588 0.036 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.445 4.096 0.173 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.857 3.476 0.393 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.750 3.924 -1.157 1.00 0.54 C ATOM 0 H ILE A 27 20.474 4.927 2.717 1.00 0.19 H new ATOM 0 HA ILE A 27 22.087 6.271 0.643 1.00 0.20 H new ATOM 0 HB ILE A 27 21.046 4.883 -1.001 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.441 3.144 0.704 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.882 4.803 0.782 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.672 2.613 -0.246 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.879 3.824 0.246 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.717 3.192 1.436 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.731 3.573 -0.992 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.725 4.880 -1.681 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.292 3.195 -1.759 1.00 0.54 H new ATOM 406 N ALA A 28 20.128 7.620 -0.314 1.00 0.23 N ATOM 407 CA ALA A 28 19.134 8.640 -0.602 1.00 0.25 C ATOM 408 C ALA A 28 17.776 8.031 -0.933 1.00 0.25 C ATOM 409 O ALA A 28 17.681 7.059 -1.681 1.00 0.28 O ATOM 410 CB ALA A 28 19.608 9.534 -1.739 1.00 0.31 C ATOM 0 H ALA A 28 20.897 7.579 -0.983 1.00 0.23 H new ATOM 0 HA ALA A 28 19.011 9.244 0.297 1.00 0.25 H new ATOM 0 HB1 ALA A 28 18.853 10.293 -1.944 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.542 10.018 -1.456 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.768 8.931 -2.633 1.00 0.31 H new ATOM 416 N THR A 29 16.728 8.620 -0.361 1.00 0.28 N ATOM 417 CA THR A 29 15.362 8.154 -0.580 1.00 0.31 C ATOM 418 C THR A 29 14.969 8.242 -2.049 1.00 0.32 C ATOM 419 O THR A 29 14.121 7.482 -2.518 1.00 0.34 O ATOM 420 CB THR A 29 14.356 8.970 0.249 1.00 0.39 C ATOM 421 OG1 THR A 29 14.387 10.344 -0.156 1.00 0.40 O ATOM 422 CG2 THR A 29 14.670 8.867 1.732 1.00 0.43 C ATOM 0 H THR A 29 16.801 9.425 0.261 1.00 0.28 H new ATOM 0 HA THR A 29 15.335 7.111 -0.264 1.00 0.31 H new ATOM 0 HB THR A 29 13.360 8.563 0.075 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.866 10.883 0.475 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.946 9.452 2.299 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.617 7.824 2.043 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.673 9.251 1.919 1.00 0.43 H new ATOM 430 N ARG A 30 15.585 9.172 -2.770 1.00 0.35 N ATOM 431 CA ARG A 30 15.296 9.353 -4.188 1.00 0.40 C ATOM 432 C ARG A 30 15.838 8.187 -5.007 1.00 0.40 C ATOM 433 O ARG A 30 15.747 8.184 -6.235 1.00 0.52 O ATOM 434 CB ARG A 30 15.903 10.665 -4.691 1.00 0.46 C ATOM 435 CG ARG A 30 15.359 11.899 -3.991 1.00 0.50 C ATOM 436 CD ARG A 30 16.048 13.163 -4.481 1.00 0.73 C ATOM 437 NE ARG A 30 15.848 13.377 -5.911 1.00 1.71 N ATOM 438 CZ ARG A 30 16.674 14.090 -6.673 1.00 2.26 C ATOM 439 NH1 ARG A 30 17.759 14.642 -6.147 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.415 14.247 -7.965 1.00 3.39 N ATOM 0 H ARG A 30 16.287 9.811 -2.397 1.00 0.35 H new ATOM 0 HA ARG A 30 14.213 9.389 -4.309 1.00 0.40 H new ATOM 0 HB2 ARG A 30 16.984 10.629 -4.557 1.00 0.46 H new ATOM 0 HB3 ARG A 30 15.717 10.754 -5.761 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.286 11.976 -4.167 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.499 11.800 -2.915 1.00 0.50 H new ATOM 0 HD2 ARG A 30 15.665 14.021 -3.929 1.00 0.73 H new ATOM 0 HD3 ARG A 30 17.115 13.099 -4.270 1.00 0.73 H new ATOM 0 HE ARG A 30 15.029 12.957 -6.351 1.00 1.71 H new ATOM 0 HH11 ARG A 30 17.963 14.521 -5.155 1.00 2.04 H new ATOM 0 HH12 ARG A 30 18.390 15.188 -6.734 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.583 13.821 -8.374 1.00 3.39 H new ATOM 0 HH22 ARG A 30 17.048 14.793 -8.549 1.00 3.39 H new ATOM 454 N GLU A 31 16.403 7.198 -4.320 1.00 0.33 N ATOM 455 CA GLU A 31 16.964 6.030 -4.986 1.00 0.36 C ATOM 456 C GLU A 31 16.276 4.749 -4.526 1.00 0.31 C ATOM 457 O GLU A 31 16.443 3.694 -5.138 1.00 0.33 O ATOM 458 CB GLU A 31 18.467 5.939 -4.712 1.00 0.42 C ATOM 459 CG GLU A 31 19.156 7.290 -4.636 1.00 0.52 C ATOM 460 CD GLU A 31 20.664 7.170 -4.544 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.323 7.127 -5.604 1.00 1.12 O ATOM 462 OE2 GLU A 31 21.187 7.118 -3.410 1.00 2.01 O ATOM 0 H GLU A 31 16.484 7.184 -3.303 1.00 0.33 H new ATOM 0 HA GLU A 31 16.797 6.142 -6.057 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.625 5.407 -3.774 1.00 0.42 H new ATOM 0 HB3 GLU A 31 18.935 5.346 -5.497 1.00 0.42 H new ATOM 0 HG2 GLU A 31 18.895 7.877 -5.516 1.00 0.52 H new ATOM 0 HG3 GLU A 31 18.785 7.835 -3.768 1.00 0.52 H new ATOM 469 N LEU A 32 15.507 4.843 -3.442 1.00 0.31 N ATOM 470 CA LEU A 32 14.799 3.683 -2.906 1.00 0.33 C ATOM 471 C LEU A 32 13.979 2.997 -3.997 1.00 0.29 C ATOM 472 O LEU A 32 14.014 1.775 -4.134 1.00 0.29 O ATOM 473 CB LEU A 32 13.880 4.092 -1.750 1.00 0.40 C ATOM 474 CG LEU A 32 13.782 3.079 -0.600 1.00 0.57 C ATOM 475 CD1 LEU A 32 12.724 3.509 0.403 1.00 1.39 C ATOM 476 CD2 LEU A 32 13.473 1.684 -1.123 1.00 1.39 C ATOM 0 H LEU A 32 15.359 5.707 -2.920 1.00 0.31 H new ATOM 0 HA LEU A 32 15.545 2.982 -2.532 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.231 5.042 -1.347 1.00 0.40 H new ATOM 0 HB3 LEU A 32 12.879 4.265 -2.147 1.00 0.40 H new ATOM 0 HG LEU A 32 14.749 3.049 -0.099 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.670 2.779 1.210 1.00 1.39 H new ATOM 0 HD12 LEU A 32 12.986 4.484 0.813 1.00 1.39 H new ATOM 0 HD13 LEU A 32 11.756 3.573 -0.094 1.00 1.39 H new ATOM 0 HD21 LEU A 32 13.409 0.988 -0.287 1.00 1.39 H new ATOM 0 HD22 LEU A 32 12.523 1.698 -1.657 1.00 1.39 H new ATOM 0 HD23 LEU A 32 14.265 1.366 -1.801 1.00 1.39 H new ATOM 488 N GLY A 33 13.245 3.792 -4.771 1.00 0.33 N ATOM 489 CA GLY A 33 12.422 3.244 -5.837 1.00 0.35 C ATOM 490 C GLY A 33 13.197 2.323 -6.760 1.00 0.33 C ATOM 491 O GLY A 33 12.744 1.220 -7.066 1.00 0.41 O ATOM 0 H GLY A 33 13.205 4.807 -4.679 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.587 2.696 -5.401 1.00 0.35 H new ATOM 0 HA3 GLY A 33 11.997 4.062 -6.419 1.00 0.35 H new ATOM 495 N THR A 34 14.364 2.776 -7.208 1.00 0.30 N ATOM 496 CA THR A 34 15.203 1.978 -8.095 1.00 0.31 C ATOM 497 C THR A 34 15.736 0.749 -7.367 1.00 0.27 C ATOM 498 O THR A 34 16.049 -0.272 -7.983 1.00 0.30 O ATOM 499 CB THR A 34 16.390 2.799 -8.636 1.00 0.37 C ATOM 500 OG1 THR A 34 15.915 4.000 -9.255 1.00 0.42 O ATOM 501 CG2 THR A 34 17.196 1.991 -9.643 1.00 0.41 C ATOM 0 H THR A 34 14.750 3.690 -6.972 1.00 0.30 H new ATOM 0 HA THR A 34 14.581 1.665 -8.934 1.00 0.31 H new ATOM 0 HB THR A 34 17.037 3.053 -7.796 1.00 0.37 H new ATOM 0 HG1 THR A 34 16.676 4.516 -9.594 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.028 2.592 -10.010 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.582 1.092 -9.162 1.00 0.41 H new ATOM 0 HG23 THR A 34 16.556 1.709 -10.479 1.00 0.41 H new ATOM 509 N LEU A 35 15.830 0.856 -6.048 1.00 0.27 N ATOM 510 CA LEU A 35 16.323 -0.237 -5.224 1.00 0.30 C ATOM 511 C LEU A 35 15.314 -1.381 -5.180 1.00 0.31 C ATOM 512 O LEU A 35 15.685 -2.551 -5.251 1.00 0.37 O ATOM 513 CB LEU A 35 16.598 0.259 -3.801 1.00 0.35 C ATOM 514 CG LEU A 35 17.931 -0.186 -3.191 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.039 0.295 -1.751 1.00 1.23 C ATOM 516 CD2 LEU A 35 18.079 -1.699 -3.258 1.00 1.25 C ATOM 0 H LEU A 35 15.570 1.692 -5.525 1.00 0.27 H new ATOM 0 HA LEU A 35 17.249 -0.604 -5.666 1.00 0.30 H new ATOM 0 HB2 LEU A 35 16.565 1.349 -3.803 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.790 -0.083 -3.154 1.00 0.35 H new ATOM 0 HG LEU A 35 18.739 0.260 -3.771 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.991 -0.028 -1.330 1.00 1.23 H new ATOM 0 HD12 LEU A 35 17.982 1.383 -1.726 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.222 -0.125 -1.165 1.00 1.23 H new ATOM 0 HD21 LEU A 35 19.033 -1.991 -2.819 1.00 1.25 H new ATOM 0 HD22 LEU A 35 17.266 -2.169 -2.705 1.00 1.25 H new ATOM 0 HD23 LEU A 35 18.044 -2.022 -4.298 1.00 1.25 H new ATOM 528 N MET A 36 14.036 -1.032 -5.066 1.00 0.35 N ATOM 529 CA MET A 36 12.975 -2.018 -4.993 1.00 0.43 C ATOM 530 C MET A 36 12.604 -2.568 -6.367 1.00 0.43 C ATOM 531 O MET A 36 12.054 -3.663 -6.468 1.00 0.54 O ATOM 532 CB MET A 36 11.750 -1.396 -4.329 1.00 0.56 C ATOM 533 CG MET A 36 12.093 -0.523 -3.135 1.00 0.59 C ATOM 534 SD MET A 36 10.663 -0.129 -2.111 1.00 1.21 S ATOM 535 CE MET A 36 10.299 -1.726 -1.392 1.00 0.72 C ATOM 0 H MET A 36 13.714 -0.065 -5.022 1.00 0.35 H new ATOM 0 HA MET A 36 13.338 -2.856 -4.398 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.211 -0.799 -5.064 1.00 0.56 H new ATOM 0 HB3 MET A 36 11.076 -2.191 -4.008 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.840 -1.030 -2.525 1.00 0.59 H new ATOM 0 HG3 MET A 36 12.545 0.404 -3.488 1.00 0.59 H new ATOM 0 HE1 MET A 36 9.425 -1.644 -0.747 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.097 -2.445 -2.186 1.00 0.72 H new ATOM 0 HE3 MET A 36 11.153 -2.064 -0.805 1.00 0.72 H new ATOM 545 N ARG A 37 12.898 -1.815 -7.424 1.00 0.42 N ATOM 546 CA ARG A 37 12.576 -2.268 -8.774 1.00 0.47 C ATOM 547 C ARG A 37 13.568 -3.331 -9.236 1.00 0.43 C ATOM 548 O ARG A 37 13.191 -4.286 -9.916 1.00 0.47 O ATOM 549 CB ARG A 37 12.550 -1.094 -9.761 1.00 0.55 C ATOM 550 CG ARG A 37 13.924 -0.582 -10.157 1.00 0.95 C ATOM 551 CD ARG A 37 13.827 0.513 -11.206 1.00 1.20 C ATOM 552 NE ARG A 37 13.046 1.653 -10.734 1.00 1.99 N ATOM 553 CZ ARG A 37 12.508 2.565 -11.538 1.00 2.52 C ATOM 554 NH1 ARG A 37 12.657 2.469 -12.852 1.00 2.46 N ATOM 555 NH2 ARG A 37 11.817 3.574 -11.026 1.00 3.51 N ATOM 0 H ARG A 37 13.351 -0.903 -7.374 1.00 0.42 H new ATOM 0 HA ARG A 37 11.580 -2.710 -8.749 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.016 -1.402 -10.660 1.00 0.55 H new ATOM 0 HB3 ARG A 37 11.983 -0.275 -9.319 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.439 -0.199 -9.276 1.00 0.95 H new ATOM 0 HG3 ARG A 37 14.523 -1.406 -10.544 1.00 0.95 H new ATOM 0 HD2 ARG A 37 14.829 0.847 -11.476 1.00 1.20 H new ATOM 0 HD3 ARG A 37 13.371 0.110 -12.110 1.00 1.20 H new ATOM 0 HE ARG A 37 12.905 1.756 -9.729 1.00 1.99 H new ATOM 0 HH11 ARG A 37 13.186 1.693 -13.250 1.00 2.46 H new ATOM 0 HH12 ARG A 37 12.242 3.171 -13.465 1.00 2.46 H new ATOM 0 HH21 ARG A 37 11.698 3.650 -10.016 1.00 3.51 H new ATOM 0 HH22 ARG A 37 11.404 4.274 -11.642 1.00 3.51 H new ATOM 569 N THR A 38 14.835 -3.162 -8.866 1.00 0.39 N ATOM 570 CA THR A 38 15.868 -4.122 -9.236 1.00 0.39 C ATOM 571 C THR A 38 15.730 -5.401 -8.418 1.00 0.36 C ATOM 572 O THR A 38 16.328 -6.428 -8.738 1.00 0.39 O ATOM 573 CB THR A 38 17.284 -3.542 -9.048 1.00 0.40 C ATOM 574 OG1 THR A 38 18.262 -4.486 -9.499 1.00 0.46 O ATOM 575 CG2 THR A 38 17.545 -3.193 -7.592 1.00 0.32 C ATOM 0 H THR A 38 15.169 -2.373 -8.313 1.00 0.39 H new ATOM 0 HA THR A 38 15.730 -4.349 -10.293 1.00 0.39 H new ATOM 0 HB THR A 38 17.356 -2.629 -9.639 1.00 0.40 H new ATOM 0 HG1 THR A 38 17.905 -5.394 -9.411 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.551 -2.786 -7.490 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.818 -2.451 -7.260 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.453 -4.091 -6.981 1.00 0.32 H new ATOM 583 N LEU A 39 14.933 -5.323 -7.355 1.00 0.33 N ATOM 584 CA LEU A 39 14.698 -6.464 -6.478 1.00 0.34 C ATOM 585 C LEU A 39 13.238 -6.909 -6.559 1.00 0.40 C ATOM 586 O LEU A 39 12.371 -6.128 -6.950 1.00 0.43 O ATOM 587 CB LEU A 39 15.059 -6.113 -5.035 1.00 0.32 C ATOM 588 CG LEU A 39 16.468 -5.544 -4.840 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.568 -4.824 -3.509 1.00 1.05 C ATOM 590 CD2 LEU A 39 17.515 -6.644 -4.920 1.00 1.15 C ATOM 0 H LEU A 39 14.437 -4.475 -7.080 1.00 0.33 H new ATOM 0 HA LEU A 39 15.334 -7.286 -6.808 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.336 -5.388 -4.662 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.957 -7.009 -4.423 1.00 0.32 H new ATOM 0 HG LEU A 39 16.658 -4.831 -5.642 1.00 0.44 H new ATOM 0 HD11 LEU A 39 17.575 -4.426 -3.386 1.00 1.05 H new ATOM 0 HD12 LEU A 39 15.848 -4.006 -3.483 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.353 -5.522 -2.700 1.00 1.05 H new ATOM 0 HD21 LEU A 39 18.506 -6.214 -4.778 1.00 1.15 H new ATOM 0 HD22 LEU A 39 17.326 -7.384 -4.142 1.00 1.15 H new ATOM 0 HD23 LEU A 39 17.464 -7.124 -5.897 1.00 1.15 H new ATOM 602 N GLY A 40 12.974 -8.165 -6.212 1.00 0.45 N ATOM 603 CA GLY A 40 11.616 -8.691 -6.263 1.00 0.52 C ATOM 604 C GLY A 40 10.569 -7.729 -5.716 1.00 0.49 C ATOM 605 O GLY A 40 9.422 -7.738 -6.162 1.00 0.64 O ATOM 0 H GLY A 40 13.677 -8.832 -5.895 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.368 -8.935 -7.296 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.574 -9.621 -5.696 1.00 0.52 H new ATOM 609 N GLN A 41 10.966 -6.896 -4.758 1.00 0.46 N ATOM 610 CA GLN A 41 10.053 -5.931 -4.146 1.00 0.44 C ATOM 611 C GLN A 41 9.373 -5.048 -5.187 1.00 0.48 C ATOM 612 O GLN A 41 9.816 -4.966 -6.333 1.00 1.01 O ATOM 613 CB GLN A 41 10.810 -5.061 -3.141 1.00 0.48 C ATOM 614 CG GLN A 41 10.896 -5.662 -1.747 1.00 0.54 C ATOM 615 CD GLN A 41 10.682 -7.165 -1.733 1.00 1.55 C ATOM 616 OE1 GLN A 41 11.623 -7.942 -1.892 1.00 2.37 O ATOM 617 NE2 GLN A 41 9.436 -7.584 -1.541 1.00 2.20 N ATOM 0 H GLN A 41 11.916 -6.869 -4.387 1.00 0.46 H new ATOM 0 HA GLN A 41 9.275 -6.495 -3.633 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.819 -4.887 -3.514 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.322 -4.089 -3.077 1.00 0.48 H new ATOM 0 HG2 GLN A 41 11.873 -5.436 -1.320 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.151 -5.189 -1.107 1.00 0.54 H new ATOM 0 HE21 GLN A 41 8.684 -6.907 -1.413 1.00 2.20 H new ATOM 0 HE22 GLN A 41 9.231 -8.583 -1.521 1.00 2.20 H new ATOM 626 N ASN A 42 8.290 -4.389 -4.773 1.00 0.52 N ATOM 627 CA ASN A 42 7.535 -3.507 -5.658 1.00 0.53 C ATOM 628 C ASN A 42 6.387 -2.821 -4.909 1.00 0.51 C ATOM 629 O ASN A 42 5.248 -3.287 -4.945 1.00 0.59 O ATOM 630 CB ASN A 42 6.985 -4.299 -6.850 1.00 0.66 C ATOM 631 CG ASN A 42 6.131 -5.478 -6.422 1.00 1.27 C ATOM 632 OD1 ASN A 42 4.903 -5.393 -6.396 1.00 2.15 O ATOM 633 ND2 ASN A 42 6.779 -6.583 -6.076 1.00 1.71 N ATOM 0 H ASN A 42 7.916 -4.451 -3.826 1.00 0.52 H new ATOM 0 HA ASN A 42 8.212 -2.735 -6.022 1.00 0.53 H new ATOM 0 HB2 ASN A 42 6.393 -3.636 -7.480 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.816 -4.658 -7.457 1.00 0.66 H new ATOM 0 HD21 ASN A 42 6.258 -7.406 -5.773 1.00 1.71 H new ATOM 0 HD22 ASN A 42 7.798 -6.609 -6.113 1.00 1.71 H new ATOM 640 N PRO A 43 6.667 -1.701 -4.216 1.00 0.47 N ATOM 641 CA PRO A 43 5.645 -0.959 -3.466 1.00 0.54 C ATOM 642 C PRO A 43 4.681 -0.218 -4.383 1.00 0.54 C ATOM 643 O PRO A 43 4.619 -0.484 -5.584 1.00 0.64 O ATOM 644 CB PRO A 43 6.470 0.046 -2.664 1.00 0.53 C ATOM 645 CG PRO A 43 7.662 0.285 -3.519 1.00 0.46 C ATOM 646 CD PRO A 43 7.993 -1.057 -4.104 1.00 0.45 C ATOM 0 HA PRO A 43 5.023 -1.618 -2.860 1.00 0.54 H new ATOM 0 HB2 PRO A 43 5.915 0.967 -2.484 1.00 0.53 H new ATOM 0 HB3 PRO A 43 6.750 -0.353 -1.689 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.448 1.015 -4.300 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.495 0.678 -2.935 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.482 -0.966 -5.074 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.665 -1.624 -3.460 1.00 0.45 H new ATOM 654 N THR A 44 3.929 0.712 -3.806 1.00 0.59 N ATOM 655 CA THR A 44 2.980 1.509 -4.568 1.00 0.65 C ATOM 656 C THR A 44 3.564 2.887 -4.853 1.00 0.57 C ATOM 657 O THR A 44 4.198 3.485 -3.983 1.00 0.51 O ATOM 658 CB THR A 44 1.641 1.667 -3.822 1.00 0.78 C ATOM 659 OG1 THR A 44 1.123 0.380 -3.464 1.00 1.05 O ATOM 660 CG2 THR A 44 0.625 2.404 -4.683 1.00 1.02 C ATOM 0 H THR A 44 3.960 0.932 -2.810 1.00 0.59 H new ATOM 0 HA THR A 44 2.790 0.985 -5.505 1.00 0.65 H new ATOM 0 HB THR A 44 1.822 2.250 -2.919 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.273 0.490 -2.989 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.312 2.503 -4.135 1.00 1.02 H new ATOM 0 HG22 THR A 44 1.008 3.394 -4.930 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.451 1.843 -5.601 1.00 1.02 H new ATOM 668 N GLU A 45 3.358 3.379 -6.070 1.00 0.61 N ATOM 669 CA GLU A 45 3.879 4.685 -6.471 1.00 0.61 C ATOM 670 C GLU A 45 3.712 5.719 -5.359 1.00 0.60 C ATOM 671 O GLU A 45 4.664 6.412 -4.999 1.00 0.56 O ATOM 672 CB GLU A 45 3.176 5.165 -7.743 1.00 0.75 C ATOM 673 CG GLU A 45 3.731 6.470 -8.291 1.00 1.33 C ATOM 674 CD GLU A 45 3.012 6.927 -9.545 1.00 2.16 C ATOM 675 OE1 GLU A 45 3.416 6.503 -10.648 1.00 2.64 O ATOM 676 OE2 GLU A 45 2.045 7.708 -9.424 1.00 2.69 O ATOM 0 H GLU A 45 2.834 2.894 -6.798 1.00 0.61 H new ATOM 0 HA GLU A 45 4.945 4.573 -6.668 1.00 0.61 H new ATOM 0 HB2 GLU A 45 3.262 4.394 -8.508 1.00 0.75 H new ATOM 0 HB3 GLU A 45 2.113 5.291 -7.535 1.00 0.75 H new ATOM 0 HG2 GLU A 45 3.651 7.244 -7.528 1.00 1.33 H new ATOM 0 HG3 GLU A 45 4.792 6.347 -8.509 1.00 1.33 H new ATOM 683 N ALA A 46 2.502 5.810 -4.814 1.00 0.66 N ATOM 684 CA ALA A 46 2.211 6.763 -3.748 1.00 0.70 C ATOM 685 C ALA A 46 3.129 6.566 -2.546 1.00 0.64 C ATOM 686 O ALA A 46 3.677 7.530 -2.017 1.00 0.66 O ATOM 687 CB ALA A 46 0.759 6.650 -3.317 1.00 0.83 C ATOM 0 H ALA A 46 1.707 5.235 -5.093 1.00 0.66 H new ATOM 0 HA ALA A 46 2.391 7.762 -4.146 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.559 7.368 -2.521 1.00 0.83 H new ATOM 0 HB2 ALA A 46 0.110 6.860 -4.167 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.565 5.641 -2.953 1.00 0.83 H new ATOM 693 N GLU A 47 3.287 5.317 -2.118 1.00 0.62 N ATOM 694 CA GLU A 47 4.136 5.002 -0.970 1.00 0.62 C ATOM 695 C GLU A 47 5.564 5.488 -1.199 1.00 0.50 C ATOM 696 O GLU A 47 6.128 6.199 -0.369 1.00 0.48 O ATOM 697 CB GLU A 47 4.131 3.494 -0.706 1.00 0.69 C ATOM 698 CG GLU A 47 4.948 3.084 0.509 1.00 0.75 C ATOM 699 CD GLU A 47 4.959 1.582 0.723 1.00 1.31 C ATOM 700 OE1 GLU A 47 3.992 1.061 1.317 1.00 1.34 O ATOM 701 OE2 GLU A 47 5.934 0.930 0.297 1.00 2.23 O ATOM 0 H GLU A 47 2.840 4.507 -2.547 1.00 0.62 H new ATOM 0 HA GLU A 47 3.734 5.518 -0.098 1.00 0.62 H new ATOM 0 HB2 GLU A 47 3.102 3.161 -0.570 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.519 2.979 -1.585 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.972 3.438 0.390 1.00 0.75 H new ATOM 0 HG3 GLU A 47 4.543 3.571 1.396 1.00 0.75 H new ATOM 708 N LEU A 48 6.139 5.094 -2.330 1.00 0.45 N ATOM 709 CA LEU A 48 7.499 5.487 -2.681 1.00 0.39 C ATOM 710 C LEU A 48 7.645 7.009 -2.624 1.00 0.35 C ATOM 711 O LEU A 48 8.680 7.539 -2.209 1.00 0.34 O ATOM 712 CB LEU A 48 7.837 4.959 -4.079 1.00 0.40 C ATOM 713 CG LEU A 48 9.301 4.573 -4.315 1.00 0.66 C ATOM 714 CD1 LEU A 48 10.216 5.770 -4.122 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.705 3.433 -3.392 1.00 1.39 C ATOM 0 H LEU A 48 5.682 4.500 -3.022 1.00 0.45 H new ATOM 0 HA LEU A 48 8.197 5.056 -1.963 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.215 4.086 -4.276 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.560 5.719 -4.810 1.00 0.40 H new ATOM 0 HG LEU A 48 9.403 4.235 -5.346 1.00 0.66 H new ATOM 0 HD11 LEU A 48 11.249 5.470 -4.295 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.943 6.554 -4.828 1.00 1.42 H new ATOM 0 HD13 LEU A 48 10.113 6.146 -3.104 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.748 3.171 -3.572 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.583 3.744 -2.355 1.00 1.39 H new ATOM 0 HD23 LEU A 48 9.074 2.566 -3.587 1.00 1.39 H new ATOM 727 N GLN A 49 6.589 7.707 -3.030 1.00 0.45 N ATOM 728 CA GLN A 49 6.582 9.166 -3.027 1.00 0.52 C ATOM 729 C GLN A 49 6.394 9.706 -1.613 1.00 0.54 C ATOM 730 O GLN A 49 6.858 10.797 -1.288 1.00 0.58 O ATOM 731 CB GLN A 49 5.459 9.688 -3.919 1.00 0.67 C ATOM 732 CG GLN A 49 5.631 9.336 -5.389 1.00 0.70 C ATOM 733 CD GLN A 49 6.911 9.893 -5.977 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.935 11.005 -6.503 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.988 9.120 -5.890 1.00 1.02 N ATOM 0 H GLN A 49 5.724 7.284 -3.366 1.00 0.45 H new ATOM 0 HA GLN A 49 7.543 9.508 -3.410 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.510 9.284 -3.567 1.00 0.67 H new ATOM 0 HB3 GLN A 49 5.401 10.772 -3.819 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.626 8.252 -5.502 1.00 0.70 H new ATOM 0 HG3 GLN A 49 4.780 9.719 -5.952 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.924 8.204 -5.445 1.00 1.02 H new ATOM 0 HE22 GLN A 49 8.879 9.442 -6.268 1.00 1.02 H new ATOM 744 N ASP A 50 5.709 8.929 -0.782 1.00 0.59 N ATOM 745 CA ASP A 50 5.445 9.324 0.598 1.00 0.68 C ATOM 746 C ASP A 50 6.742 9.456 1.381 1.00 0.59 C ATOM 747 O ASP A 50 6.944 10.433 2.103 1.00 0.57 O ATOM 748 CB ASP A 50 4.522 8.310 1.278 1.00 0.88 C ATOM 749 CG ASP A 50 3.081 8.443 0.826 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.525 9.555 0.938 1.00 1.09 O ATOM 751 OD2 ASP A 50 2.510 7.437 0.358 1.00 1.19 O ATOM 0 H ASP A 50 5.325 8.020 -1.040 1.00 0.59 H new ATOM 0 HA ASP A 50 4.951 10.295 0.582 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.875 7.301 1.064 1.00 0.88 H new ATOM 0 HB3 ASP A 50 4.574 8.443 2.359 1.00 0.88 H new ATOM 756 N LEU A 51 7.619 8.470 1.236 1.00 0.60 N ATOM 757 CA LEU A 51 8.897 8.487 1.930 1.00 0.64 C ATOM 758 C LEU A 51 9.802 9.579 1.375 1.00 0.54 C ATOM 759 O LEU A 51 10.418 10.326 2.132 1.00 0.64 O ATOM 760 CB LEU A 51 9.600 7.141 1.818 1.00 0.76 C ATOM 761 CG LEU A 51 9.377 6.411 0.507 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.696 6.188 -0.215 1.00 0.86 C ATOM 763 CD2 LEU A 51 8.673 5.094 0.771 1.00 0.84 C ATOM 0 H LEU A 51 7.468 7.652 0.646 1.00 0.60 H new ATOM 0 HA LEU A 51 8.694 8.692 2.981 1.00 0.64 H new ATOM 0 HB2 LEU A 51 10.671 7.294 1.954 1.00 0.76 H new ATOM 0 HB3 LEU A 51 9.263 6.502 2.635 1.00 0.76 H new ATOM 0 HG LEU A 51 8.746 7.023 -0.138 1.00 0.40 H new ATOM 0 HD11 LEU A 51 10.513 5.663 -1.153 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.164 7.150 -0.423 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.358 5.591 0.412 1.00 0.86 H new ATOM 0 HD21 LEU A 51 8.514 4.571 -0.172 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.287 4.478 1.428 1.00 0.84 H new ATOM 0 HD23 LEU A 51 7.711 5.285 1.247 1.00 0.84 H new ATOM 775 N ILE A 52 9.885 9.665 0.049 1.00 0.44 N ATOM 776 CA ILE A 52 10.725 10.674 -0.587 1.00 0.48 C ATOM 777 C ILE A 52 10.234 12.082 -0.276 1.00 0.53 C ATOM 778 O ILE A 52 11.025 13.017 -0.230 1.00 0.68 O ATOM 779 CB ILE A 52 10.780 10.503 -2.118 1.00 0.48 C ATOM 780 CG1 ILE A 52 11.430 9.165 -2.480 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.540 11.664 -2.754 1.00 0.67 C ATOM 782 CD1 ILE A 52 11.473 8.891 -3.968 1.00 0.54 C ATOM 0 H ILE A 52 9.386 9.055 -0.599 1.00 0.44 H new ATOM 0 HA ILE A 52 11.725 10.533 -0.178 1.00 0.48 H new ATOM 0 HB ILE A 52 9.762 10.506 -2.508 1.00 0.48 H new ATOM 0 HG12 ILE A 52 12.447 9.147 -2.087 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.884 8.361 -1.987 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.571 11.530 -3.835 1.00 0.67 H new ATOM 0 HG22 ILE A 52 11.036 12.601 -2.519 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.557 11.691 -2.363 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.947 7.926 -4.147 1.00 0.54 H new ATOM 0 HD12 ILE A 52 10.458 8.876 -4.365 1.00 0.54 H new ATOM 0 HD13 ILE A 52 12.045 9.674 -4.466 1.00 0.54 H new ATOM 794 N ALA A 53 8.930 12.229 -0.073 1.00 0.50 N ATOM 795 CA ALA A 53 8.349 13.535 0.223 1.00 0.60 C ATOM 796 C ALA A 53 8.610 13.942 1.667 1.00 0.64 C ATOM 797 O ALA A 53 9.051 15.060 1.936 1.00 0.73 O ATOM 798 CB ALA A 53 6.856 13.532 -0.066 1.00 0.67 C ATOM 0 H ALA A 53 8.256 11.464 -0.108 1.00 0.50 H new ATOM 0 HA ALA A 53 8.830 14.269 -0.424 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.440 14.514 0.160 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.690 13.301 -1.118 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.367 12.779 0.552 1.00 0.67 H new ATOM 804 N GLU A 54 8.332 13.035 2.594 1.00 0.63 N ATOM 805 CA GLU A 54 8.548 13.306 4.008 1.00 0.72 C ATOM 806 C GLU A 54 10.033 13.499 4.288 1.00 0.66 C ATOM 807 O GLU A 54 10.428 14.417 5.009 1.00 0.72 O ATOM 808 CB GLU A 54 7.995 12.163 4.861 1.00 0.81 C ATOM 809 CG GLU A 54 8.112 12.406 6.358 1.00 1.18 C ATOM 810 CD GLU A 54 7.346 13.634 6.810 1.00 1.71 C ATOM 811 OE1 GLU A 54 6.143 13.503 7.119 1.00 1.82 O ATOM 812 OE2 GLU A 54 7.949 14.727 6.854 1.00 2.45 O ATOM 0 H GLU A 54 7.957 12.108 2.393 1.00 0.63 H new ATOM 0 HA GLU A 54 8.020 14.223 4.269 1.00 0.72 H new ATOM 0 HB2 GLU A 54 6.946 12.007 4.608 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.524 11.244 4.608 1.00 0.81 H new ATOM 0 HG2 GLU A 54 7.741 11.533 6.894 1.00 1.18 H new ATOM 0 HG3 GLU A 54 9.163 12.520 6.623 1.00 1.18 H new ATOM 819 N ALA A 55 10.851 12.623 3.713 1.00 0.58 N ATOM 820 CA ALA A 55 12.297 12.690 3.890 1.00 0.56 C ATOM 821 C ALA A 55 12.929 13.725 2.961 1.00 0.58 C ATOM 822 O ALA A 55 14.094 14.089 3.131 1.00 0.62 O ATOM 823 CB ALA A 55 12.917 11.322 3.655 1.00 0.56 C ATOM 0 H ALA A 55 10.536 11.856 3.119 1.00 0.58 H new ATOM 0 HA ALA A 55 12.494 13.001 4.916 1.00 0.56 H new ATOM 0 HB1 ALA A 55 13.997 11.384 3.790 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.503 10.608 4.367 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.696 10.992 2.640 1.00 0.56 H new ATOM 829 N GLU A 56 12.157 14.185 1.975 1.00 0.59 N ATOM 830 CA GLU A 56 12.636 15.166 0.996 1.00 0.65 C ATOM 831 C GLU A 56 13.509 16.235 1.640 1.00 0.72 C ATOM 832 O GLU A 56 14.647 16.454 1.225 1.00 0.77 O ATOM 833 CB GLU A 56 11.454 15.842 0.297 1.00 0.72 C ATOM 834 CG GLU A 56 11.865 16.789 -0.819 1.00 0.82 C ATOM 835 CD GLU A 56 12.636 16.089 -1.921 1.00 1.52 C ATOM 836 OE1 GLU A 56 11.991 15.488 -2.806 1.00 1.79 O ATOM 837 OE2 GLU A 56 13.884 16.144 -1.902 1.00 2.45 O ATOM 0 H GLU A 56 11.190 13.892 1.832 1.00 0.59 H new ATOM 0 HA GLU A 56 13.239 14.622 0.269 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.798 15.074 -0.113 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.874 16.395 1.036 1.00 0.72 H new ATOM 0 HG2 GLU A 56 10.975 17.254 -1.242 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.477 17.590 -0.404 1.00 0.82 H new ATOM 844 N ASN A 57 12.969 16.895 2.654 1.00 0.77 N ATOM 845 CA ASN A 57 13.691 17.955 3.344 1.00 0.88 C ATOM 846 C ASN A 57 13.605 17.787 4.856 1.00 0.82 C ATOM 847 O ASN A 57 12.742 18.372 5.512 1.00 1.21 O ATOM 848 CB ASN A 57 13.129 19.311 2.923 1.00 1.17 C ATOM 849 CG ASN A 57 11.613 19.318 2.895 1.00 1.21 C ATOM 850 OD1 ASN A 57 11.032 18.686 1.876 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 10.968 19.869 3.787 1.00 1.19 N flip ATOM 0 H ASN A 57 12.033 16.716 3.018 1.00 0.77 H new ATOM 0 HA ASN A 57 14.743 17.898 3.066 1.00 0.88 H new ATOM 0 HB2 ASN A 57 13.482 20.078 3.612 1.00 1.17 H new ATOM 0 HB3 ASN A 57 13.510 19.570 1.935 1.00 1.17 H new ATOM 0 HD21 ASN A 57 11.453 20.342 4.549 1.00 1.19 H new ATOM 0 HD22 ASN A 57 9.948 19.853 3.764 1.00 1.19 H new ATOM 858 N ASN A 58 14.509 16.979 5.400 1.00 1.05 N ATOM 859 CA ASN A 58 14.549 16.724 6.834 1.00 1.01 C ATOM 860 C ASN A 58 15.874 16.079 7.220 1.00 0.95 C ATOM 861 O ASN A 58 16.272 16.096 8.385 1.00 1.57 O ATOM 862 CB ASN A 58 13.388 15.817 7.245 1.00 1.04 C ATOM 863 CG ASN A 58 13.215 15.740 8.748 1.00 1.42 C ATOM 864 OD1 ASN A 58 13.804 14.885 9.411 1.00 1.82 O ATOM 865 ND2 ASN A 58 12.400 16.634 9.295 1.00 1.89 N ATOM 0 H ASN A 58 15.226 16.488 4.866 1.00 1.05 H new ATOM 0 HA ASN A 58 14.455 17.676 7.357 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.466 16.186 6.795 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.557 14.815 6.850 1.00 1.04 H new ATOM 0 HD21 ASN A 58 12.241 16.630 10.303 1.00 1.89 H new ATOM 0 HD22 ASN A 58 11.933 17.325 8.708 1.00 1.89 H new ATOM 872 N ASN A 59 16.552 15.512 6.225 1.00 0.75 N ATOM 873 CA ASN A 59 17.835 14.852 6.441 1.00 0.73 C ATOM 874 C ASN A 59 18.460 14.445 5.110 1.00 0.84 C ATOM 875 O ASN A 59 19.118 13.408 5.020 1.00 1.76 O ATOM 876 CB ASN A 59 17.651 13.613 7.321 1.00 0.76 C ATOM 877 CG ASN A 59 16.667 12.625 6.726 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.161 11.740 5.866 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.475 12.658 7.033 1.00 0.92 N flip ATOM 0 H ASN A 59 16.231 15.497 5.257 1.00 0.75 H new ATOM 0 HA ASN A 59 18.500 15.555 6.943 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.615 13.123 7.461 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.303 13.919 8.308 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.139 13.355 7.698 1.00 0.92 H new ATOM 0 HD22 ASN A 59 14.824 11.989 6.623 1.00 0.92 H new ATOM 886 N ASN A 60 18.243 15.263 4.078 1.00 0.57 N ATOM 887 CA ASN A 60 18.771 14.977 2.744 1.00 0.52 C ATOM 888 C ASN A 60 18.116 13.720 2.174 1.00 0.42 C ATOM 889 O ASN A 60 18.390 13.314 1.044 1.00 0.53 O ATOM 890 CB ASN A 60 20.301 14.815 2.794 1.00 0.58 C ATOM 891 CG ASN A 60 20.864 14.094 1.580 1.00 0.93 C ATOM 892 OD1 ASN A 60 20.944 12.768 1.664 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.220 14.720 0.582 1.00 0.55 N flip ATOM 0 H ASN A 60 17.706 16.128 4.141 1.00 0.57 H new ATOM 0 HA ASN A 60 18.537 15.816 2.089 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.762 15.800 2.871 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.573 14.264 3.695 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.140 15.737 0.562 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.595 14.222 -0.226 1.00 0.55 H new ATOM 900 N GLY A 61 17.222 13.126 2.958 1.00 0.37 N ATOM 901 CA GLY A 61 16.553 11.917 2.533 1.00 0.33 C ATOM 902 C GLY A 61 17.499 10.738 2.519 1.00 0.27 C ATOM 903 O GLY A 61 18.121 10.455 1.503 1.00 0.33 O ATOM 0 H GLY A 61 16.951 13.464 3.881 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.718 11.707 3.202 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.135 12.062 1.537 1.00 0.33 H new ATOM 907 N GLN A 62 17.616 10.060 3.655 1.00 0.29 N ATOM 908 CA GLN A 62 18.502 8.908 3.775 1.00 0.25 C ATOM 909 C GLN A 62 17.768 7.735 4.426 1.00 0.29 C ATOM 910 O GLN A 62 16.806 7.934 5.169 1.00 0.42 O ATOM 911 CB GLN A 62 19.748 9.293 4.583 1.00 0.30 C ATOM 912 CG GLN A 62 20.733 10.159 3.816 1.00 0.31 C ATOM 913 CD GLN A 62 21.571 9.355 2.842 1.00 0.32 C ATOM 914 OE1 GLN A 62 22.634 8.845 3.195 1.00 0.38 O ATOM 915 NE2 GLN A 62 21.098 9.242 1.608 1.00 0.54 N ATOM 0 H GLN A 62 17.107 10.289 4.509 1.00 0.29 H new ATOM 0 HA GLN A 62 18.817 8.595 2.780 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.436 9.823 5.483 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.254 8.384 4.908 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.188 10.930 3.272 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.389 10.670 4.521 1.00 0.31 H new ATOM 0 HE21 GLN A 62 20.212 9.682 1.359 1.00 0.54 H new ATOM 0 HE22 GLN A 62 21.620 8.716 0.908 1.00 0.54 H new ATOM 924 N LEU A 63 18.224 6.512 4.149 1.00 0.28 N ATOM 925 CA LEU A 63 17.580 5.313 4.690 1.00 0.37 C ATOM 926 C LEU A 63 18.594 4.301 5.207 1.00 0.27 C ATOM 927 O LEU A 63 19.729 4.252 4.743 1.00 0.23 O ATOM 928 CB LEU A 63 16.736 4.648 3.609 1.00 0.57 C ATOM 929 CG LEU A 63 15.823 5.586 2.827 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.559 5.020 1.444 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.518 5.805 3.577 1.00 1.61 C ATOM 0 H LEU A 63 19.033 6.326 3.556 1.00 0.28 H new ATOM 0 HA LEU A 63 16.956 5.632 5.525 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.403 4.148 2.907 1.00 0.57 H new ATOM 0 HB3 LEU A 63 16.124 3.875 4.073 1.00 0.57 H new ATOM 0 HG LEU A 63 16.318 6.551 2.719 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.906 5.696 0.893 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.503 4.910 0.909 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.078 4.046 1.535 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.878 6.477 3.005 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.012 4.849 3.713 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.728 6.246 4.551 1.00 1.61 H new ATOM 943 N ASN A 64 18.151 3.458 6.134 1.00 0.31 N ATOM 944 CA ASN A 64 19.005 2.432 6.719 1.00 0.28 C ATOM 945 C ASN A 64 18.548 1.044 6.282 1.00 0.25 C ATOM 946 O ASN A 64 17.392 0.855 5.904 1.00 0.27 O ATOM 947 CB ASN A 64 18.973 2.497 8.246 1.00 0.41 C ATOM 948 CG ASN A 64 18.701 3.886 8.786 1.00 0.53 C ATOM 949 OD1 ASN A 64 19.608 4.705 8.912 1.00 1.34 O ATOM 950 ND2 ASN A 64 17.446 4.145 9.131 1.00 0.95 N ATOM 0 H ASN A 64 17.198 3.466 6.498 1.00 0.31 H new ATOM 0 HA ASN A 64 20.021 2.615 6.370 1.00 0.28 H new ATOM 0 HB2 ASN A 64 18.206 1.816 8.615 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.927 2.144 8.637 1.00 0.41 H new ATOM 0 HD21 ASN A 64 17.201 5.056 9.519 1.00 0.95 H new ATOM 0 HD22 ASN A 64 16.726 3.433 9.008 1.00 0.95 H new ATOM 957 N PHE A 65 19.465 0.083 6.323 1.00 0.25 N ATOM 958 CA PHE A 65 19.164 -1.293 5.934 1.00 0.26 C ATOM 959 C PHE A 65 17.838 -1.770 6.530 1.00 0.27 C ATOM 960 O PHE A 65 17.054 -2.438 5.857 1.00 0.31 O ATOM 961 CB PHE A 65 20.304 -2.218 6.373 1.00 0.32 C ATOM 962 CG PHE A 65 19.900 -3.658 6.545 1.00 0.30 C ATOM 963 CD1 PHE A 65 19.671 -4.466 5.443 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.752 -4.200 7.812 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.302 -5.789 5.603 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.383 -5.522 7.976 1.00 0.45 C ATOM 967 CZ PHE A 65 19.158 -6.317 6.871 1.00 0.45 C ATOM 0 H PHE A 65 20.428 0.232 6.623 1.00 0.25 H new ATOM 0 HA PHE A 65 19.068 -1.323 4.849 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.105 -2.163 5.636 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.711 -1.852 7.315 1.00 0.32 H new ATOM 0 HD1 PHE A 65 19.782 -4.058 4.449 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.927 -3.583 8.681 1.00 0.39 H new ATOM 0 HE1 PHE A 65 19.126 -6.409 4.737 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.271 -5.932 8.969 1.00 0.45 H new ATOM 0 HZ PHE A 65 18.870 -7.350 6.997 1.00 0.45 H new ATOM 977 N THR A 66 17.592 -1.420 7.788 1.00 0.28 N ATOM 978 CA THR A 66 16.369 -1.833 8.468 1.00 0.32 C ATOM 979 C THR A 66 15.133 -1.172 7.867 1.00 0.31 C ATOM 980 O THR A 66 14.053 -1.756 7.872 1.00 0.33 O ATOM 981 CB THR A 66 16.420 -1.504 9.970 1.00 0.38 C ATOM 982 OG1 THR A 66 17.635 -2.002 10.543 1.00 0.56 O ATOM 983 CG2 THR A 66 15.229 -2.106 10.698 1.00 0.52 C ATOM 0 H THR A 66 18.221 -0.853 8.356 1.00 0.28 H new ATOM 0 HA THR A 66 16.298 -2.912 8.333 1.00 0.32 H new ATOM 0 HB THR A 66 16.384 -0.420 10.080 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.659 -1.786 11.499 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.288 -1.859 11.758 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.306 -1.702 10.282 1.00 0.52 H new ATOM 0 HG23 THR A 66 15.238 -3.189 10.576 1.00 0.52 H new ATOM 991 N GLU A 67 15.280 0.054 7.374 1.00 0.30 N ATOM 992 CA GLU A 67 14.155 0.754 6.765 1.00 0.33 C ATOM 993 C GLU A 67 13.663 -0.022 5.551 1.00 0.30 C ATOM 994 O GLU A 67 12.487 -0.384 5.459 1.00 0.33 O ATOM 995 CB GLU A 67 14.559 2.170 6.354 1.00 0.36 C ATOM 996 CG GLU A 67 15.033 3.029 7.513 1.00 0.42 C ATOM 997 CD GLU A 67 13.983 3.181 8.597 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.958 2.341 9.520 1.00 1.70 O ATOM 999 OE2 GLU A 67 13.186 4.139 8.519 1.00 1.22 O ATOM 0 H GLU A 67 16.155 0.578 7.384 1.00 0.30 H new ATOM 0 HA GLU A 67 13.351 0.826 7.497 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.352 2.110 5.609 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.709 2.657 5.876 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.932 2.588 7.943 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.309 4.015 7.140 1.00 0.42 H new ATOM 1006 N PHE A 68 14.581 -0.283 4.627 1.00 0.27 N ATOM 1007 CA PHE A 68 14.259 -1.030 3.423 1.00 0.26 C ATOM 1008 C PHE A 68 13.779 -2.427 3.786 1.00 0.27 C ATOM 1009 O PHE A 68 12.682 -2.833 3.402 1.00 0.31 O ATOM 1010 CB PHE A 68 15.486 -1.120 2.510 1.00 0.26 C ATOM 1011 CG PHE A 68 15.231 -1.833 1.209 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.004 -1.732 0.569 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.227 -2.599 0.620 1.00 0.35 C ATOM 1014 CE1 PHE A 68 13.777 -2.380 -0.628 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.004 -3.245 -0.579 1.00 0.37 C ATOM 1016 CZ PHE A 68 14.777 -3.136 -1.203 1.00 0.37 C ATOM 0 H PHE A 68 15.555 0.013 4.692 1.00 0.27 H new ATOM 0 HA PHE A 68 13.463 -0.508 2.892 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.842 -0.112 2.296 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.286 -1.634 3.043 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.218 -1.139 1.013 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.187 -2.691 1.105 1.00 0.35 H new ATOM 0 HE1 PHE A 68 12.816 -2.295 -1.114 1.00 0.44 H new ATOM 0 HE2 PHE A 68 16.789 -3.835 -1.029 1.00 0.37 H new ATOM 0 HZ PHE A 68 14.601 -3.642 -2.141 1.00 0.37 H new ATOM 1026 N CYS A 69 14.602 -3.141 4.550 1.00 0.26 N ATOM 1027 CA CYS A 69 14.284 -4.495 4.978 1.00 0.28 C ATOM 1028 C CYS A 69 12.882 -4.541 5.532 1.00 0.29 C ATOM 1029 O CYS A 69 12.070 -5.382 5.159 1.00 0.34 O ATOM 1030 CB CYS A 69 15.263 -4.941 6.066 1.00 0.27 C ATOM 1031 SG CYS A 69 14.545 -6.034 7.315 1.00 0.49 S ATOM 0 H CYS A 69 15.502 -2.798 4.886 1.00 0.26 H new ATOM 0 HA CYS A 69 14.362 -5.161 4.119 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.103 -5.451 5.595 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.664 -4.057 6.562 1.00 0.27 H new ATOM 0 HG CYS A 69 15.455 -6.354 8.186 1.00 0.49 H new ATOM 1037 N GLY A 70 12.638 -3.628 6.451 1.00 0.31 N ATOM 1038 CA GLY A 70 11.343 -3.516 7.081 1.00 0.34 C ATOM 1039 C GLY A 70 10.207 -3.624 6.090 1.00 0.35 C ATOM 1040 O GLY A 70 9.313 -4.460 6.245 1.00 0.35 O ATOM 0 H GLY A 70 13.326 -2.950 6.778 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.240 -4.297 7.834 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.277 -2.561 7.602 1.00 0.34 H new ATOM 1044 N ILE A 71 10.243 -2.787 5.066 1.00 0.38 N ATOM 1045 CA ILE A 71 9.211 -2.810 4.047 1.00 0.41 C ATOM 1046 C ILE A 71 9.272 -4.093 3.237 1.00 0.41 C ATOM 1047 O ILE A 71 8.254 -4.574 2.741 1.00 0.45 O ATOM 1048 CB ILE A 71 9.336 -1.622 3.088 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.191 -0.313 3.866 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.287 -1.742 1.993 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.276 0.928 3.001 1.00 0.49 C ATOM 0 H ILE A 71 10.971 -2.088 4.920 1.00 0.38 H new ATOM 0 HA ILE A 71 8.257 -2.749 4.570 1.00 0.41 H new ATOM 0 HB ILE A 71 10.319 -1.624 2.617 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.234 -0.316 4.387 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.969 -0.267 4.628 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.375 -0.897 1.310 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.440 -2.670 1.443 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.293 -1.745 2.440 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.164 1.815 3.625 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.243 0.957 2.500 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.481 0.907 2.255 1.00 0.49 H new ATOM 1063 N MET A 72 10.466 -4.652 3.117 1.00 0.39 N ATOM 1064 CA MET A 72 10.642 -5.872 2.353 1.00 0.41 C ATOM 1065 C MET A 72 9.929 -7.004 3.058 1.00 0.42 C ATOM 1066 O MET A 72 9.415 -7.920 2.432 1.00 0.50 O ATOM 1067 CB MET A 72 12.122 -6.208 2.188 1.00 0.41 C ATOM 1068 CG MET A 72 12.920 -5.134 1.472 1.00 0.45 C ATOM 1069 SD MET A 72 14.484 -5.758 0.841 1.00 0.78 S ATOM 1070 CE MET A 72 13.914 -6.869 -0.440 1.00 0.36 C ATOM 0 H MET A 72 11.320 -4.283 3.536 1.00 0.39 H new ATOM 0 HA MET A 72 10.219 -5.729 1.359 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.558 -6.376 3.173 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.213 -7.143 1.636 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.330 -4.735 0.647 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.110 -4.308 2.157 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.682 -7.616 -0.642 1.00 0.36 H new ATOM 0 HE2 MET A 72 13.001 -7.366 -0.111 1.00 0.36 H new ATOM 0 HE3 MET A 72 13.711 -6.303 -1.349 1.00 0.36 H new ATOM 1080 N ALA A 73 9.902 -6.914 4.375 1.00 0.41 N ATOM 1081 CA ALA A 73 9.243 -7.904 5.199 1.00 0.44 C ATOM 1082 C ALA A 73 7.740 -7.799 5.003 1.00 0.45 C ATOM 1083 O ALA A 73 7.024 -8.800 4.977 1.00 0.51 O ATOM 1084 CB ALA A 73 9.619 -7.674 6.651 1.00 0.46 C ATOM 0 H ALA A 73 10.335 -6.154 4.900 1.00 0.41 H new ATOM 0 HA ALA A 73 9.560 -8.907 4.913 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.125 -8.417 7.277 1.00 0.46 H new ATOM 0 HB2 ALA A 73 10.699 -7.763 6.766 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.303 -6.676 6.955 1.00 0.46 H new ATOM 1090 N LYS A 74 7.281 -6.561 4.859 1.00 0.42 N ATOM 1091 CA LYS A 74 5.872 -6.275 4.648 1.00 0.46 C ATOM 1092 C LYS A 74 5.407 -6.796 3.283 1.00 0.47 C ATOM 1093 O LYS A 74 4.328 -7.378 3.167 1.00 0.57 O ATOM 1094 CB LYS A 74 5.638 -4.764 4.772 1.00 0.50 C ATOM 1095 CG LYS A 74 5.027 -4.129 3.545 1.00 1.17 C ATOM 1096 CD LYS A 74 4.641 -2.686 3.794 1.00 1.08 C ATOM 1097 CE LYS A 74 3.997 -2.065 2.568 1.00 1.83 C ATOM 1098 NZ LYS A 74 2.735 -2.759 2.190 1.00 2.52 N ATOM 0 H LYS A 74 7.875 -5.732 4.885 1.00 0.42 H new ATOM 0 HA LYS A 74 5.284 -6.788 5.409 1.00 0.46 H new ATOM 0 HB2 LYS A 74 4.987 -4.577 5.626 1.00 0.50 H new ATOM 0 HB3 LYS A 74 6.590 -4.277 4.984 1.00 0.50 H new ATOM 0 HG2 LYS A 74 5.736 -4.179 2.718 1.00 1.17 H new ATOM 0 HG3 LYS A 74 4.145 -4.695 3.243 1.00 1.17 H new ATOM 0 HD2 LYS A 74 3.951 -2.633 4.636 1.00 1.08 H new ATOM 0 HD3 LYS A 74 5.526 -2.114 4.071 1.00 1.08 H new ATOM 0 HE2 LYS A 74 3.788 -1.013 2.762 1.00 1.83 H new ATOM 0 HE3 LYS A 74 4.696 -2.103 1.733 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 2.200 -2.167 1.523 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 2.961 -3.670 1.741 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 2.162 -2.926 3.042 1.00 2.52 H new ATOM 1112 N GLN A 75 6.227 -6.581 2.256 1.00 0.45 N ATOM 1113 CA GLN A 75 5.900 -7.029 0.904 1.00 0.50 C ATOM 1114 C GLN A 75 6.068 -8.541 0.746 1.00 0.52 C ATOM 1115 O GLN A 75 5.192 -9.213 0.203 1.00 0.67 O ATOM 1116 CB GLN A 75 6.780 -6.301 -0.111 1.00 0.50 C ATOM 1117 CG GLN A 75 6.358 -4.864 -0.360 1.00 0.76 C ATOM 1118 CD GLN A 75 7.526 -3.975 -0.727 1.00 0.66 C ATOM 1119 OE1 GLN A 75 8.631 -4.140 -0.213 1.00 1.60 O ATOM 1120 NE2 GLN A 75 7.292 -3.029 -1.626 1.00 0.86 N ATOM 0 H GLN A 75 7.123 -6.099 2.334 1.00 0.45 H new ATOM 0 HA GLN A 75 4.852 -6.792 0.722 1.00 0.50 H new ATOM 0 HB2 GLN A 75 7.812 -6.312 0.241 1.00 0.50 H new ATOM 0 HB3 GLN A 75 6.759 -6.846 -1.055 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.620 -4.839 -1.162 1.00 0.76 H new ATOM 0 HG3 GLN A 75 5.872 -4.471 0.533 1.00 0.76 H new ATOM 0 HE21 GLN A 75 6.360 -2.927 -2.028 1.00 0.86 H new ATOM 0 HE22 GLN A 75 8.044 -2.404 -1.916 1.00 0.86 H new ATOM 1129 N MET A 76 7.202 -9.064 1.204 1.00 0.55 N ATOM 1130 CA MET A 76 7.490 -10.491 1.117 1.00 0.66 C ATOM 1131 C MET A 76 6.332 -11.336 1.644 1.00 0.71 C ATOM 1132 O MET A 76 5.884 -12.273 0.982 1.00 0.83 O ATOM 1133 CB MET A 76 8.761 -10.810 1.894 1.00 0.87 C ATOM 1134 CG MET A 76 10.021 -10.399 1.159 1.00 1.02 C ATOM 1135 SD MET A 76 11.518 -10.715 2.106 1.00 1.03 S ATOM 1136 CE MET A 76 12.746 -10.114 0.956 1.00 0.64 C ATOM 0 H MET A 76 7.941 -8.515 1.642 1.00 0.55 H new ATOM 0 HA MET A 76 7.630 -10.739 0.065 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.728 -10.304 2.859 1.00 0.87 H new ATOM 0 HB3 MET A 76 8.798 -11.880 2.097 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.075 -10.937 0.213 1.00 1.02 H new ATOM 0 HG3 MET A 76 9.966 -9.337 0.919 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.487 -10.893 0.775 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.264 -9.846 0.016 1.00 0.64 H new ATOM 0 HE3 MET A 76 13.237 -9.236 1.375 1.00 0.64 H new ATOM 1240 N GLU A 83 0.826 -10.411 -8.039 1.00 7.37 N ATOM 1241 CA GLU A 83 -0.375 -9.585 -8.086 1.00 8.31 C ATOM 1242 C GLU A 83 -0.157 -8.352 -8.958 1.00 8.90 C ATOM 1243 O GLU A 83 -1.000 -8.015 -9.788 1.00 9.79 O ATOM 1244 CB GLU A 83 -0.786 -9.161 -6.674 1.00 8.42 C ATOM 1245 CG GLU A 83 -1.056 -10.333 -5.744 1.00 8.14 C ATOM 1246 CD GLU A 83 -1.649 -9.900 -4.417 1.00 8.51 C ATOM 1247 OE1 GLU A 83 -0.876 -9.489 -3.527 1.00 8.45 O ATOM 1248 OE2 GLU A 83 -2.887 -9.970 -4.270 1.00 9.06 O ATOM 0 HA GLU A 83 -1.175 -10.180 -8.526 1.00 8.31 H new ATOM 0 HB2 GLU A 83 0.002 -8.541 -6.245 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -1.681 -8.542 -6.735 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -1.737 -11.030 -6.232 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -0.125 -10.871 -5.564 1.00 8.14 H new ATOM 1255 N GLU A 84 0.977 -7.686 -8.766 1.00 8.58 N ATOM 1256 CA GLU A 84 1.304 -6.488 -9.536 1.00 9.37 C ATOM 1257 C GLU A 84 1.314 -6.786 -11.033 1.00 9.77 C ATOM 1258 O GLU A 84 1.114 -5.892 -11.857 1.00 10.65 O ATOM 1259 CB GLU A 84 2.665 -5.937 -9.102 1.00 9.24 C ATOM 1260 CG GLU A 84 3.098 -4.698 -9.870 1.00 9.88 C ATOM 1261 CD GLU A 84 4.418 -4.139 -9.380 1.00 10.30 C ATOM 1262 OE1 GLU A 84 5.472 -4.567 -9.897 1.00 10.72 O ATOM 1263 OE2 GLU A 84 4.400 -3.275 -8.479 1.00 10.41 O ATOM 0 H GLU A 84 1.686 -7.955 -8.084 1.00 8.58 H new ATOM 0 HA GLU A 84 0.536 -5.739 -9.341 1.00 9.37 H new ATOM 0 HB2 GLU A 84 2.628 -5.700 -8.039 1.00 9.24 H new ATOM 0 HB3 GLU A 84 3.419 -6.714 -9.229 1.00 9.24 H new ATOM 0 HG2 GLU A 84 3.182 -4.943 -10.929 1.00 9.88 H new ATOM 0 HG3 GLU A 84 2.328 -3.932 -9.780 1.00 9.88 H new ATOM 1270 N MET A 85 1.536 -8.050 -11.377 1.00 9.28 N ATOM 1271 CA MET A 85 1.576 -8.467 -12.772 1.00 9.90 C ATOM 1272 C MET A 85 0.165 -8.642 -13.314 1.00 10.59 C ATOM 1273 O MET A 85 -0.121 -8.296 -14.460 1.00 11.45 O ATOM 1274 CB MET A 85 2.366 -9.769 -12.912 1.00 9.48 C ATOM 1275 CG MET A 85 3.821 -9.635 -12.491 1.00 8.93 C ATOM 1276 SD MET A 85 4.616 -11.227 -12.197 1.00 8.96 S ATOM 1277 CE MET A 85 4.622 -11.911 -13.850 1.00 9.60 C ATOM 0 H MET A 85 1.691 -8.804 -10.707 1.00 9.28 H new ATOM 0 HA MET A 85 2.075 -7.692 -13.353 1.00 9.90 H new ATOM 0 HB2 MET A 85 1.890 -10.542 -12.309 1.00 9.48 H new ATOM 0 HB3 MET A 85 2.324 -10.102 -13.949 1.00 9.48 H new ATOM 0 HG2 MET A 85 4.370 -9.098 -13.265 1.00 8.93 H new ATOM 0 HG3 MET A 85 3.878 -9.033 -11.584 1.00 8.93 H new ATOM 0 HE1 MET A 85 4.088 -12.861 -13.852 1.00 9.60 H new ATOM 0 HE2 MET A 85 4.131 -11.217 -14.533 1.00 9.60 H new ATOM 0 HE3 MET A 85 5.650 -12.072 -14.174 1.00 9.60 H new ATOM 1287 N ARG A 86 -0.716 -9.181 -12.477 1.00 10.35 N ATOM 1288 CA ARG A 86 -2.102 -9.396 -12.865 1.00 11.19 C ATOM 1289 C ARG A 86 -2.824 -8.062 -13.014 1.00 11.96 C ATOM 1290 O ARG A 86 -3.550 -7.843 -13.983 1.00 12.88 O ATOM 1291 CB ARG A 86 -2.816 -10.264 -11.829 1.00 10.99 C ATOM 1292 CG ARG A 86 -4.132 -10.836 -12.322 1.00 11.99 C ATOM 1293 CD ARG A 86 -4.951 -11.414 -11.179 1.00 12.13 C ATOM 1294 NE ARG A 86 -6.247 -11.912 -11.630 1.00 12.84 N ATOM 1295 CZ ARG A 86 -7.164 -12.428 -10.816 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -6.929 -12.515 -9.514 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -8.320 -12.856 -11.306 1.00 14.09 N ATOM 0 H ARG A 86 -0.493 -9.476 -11.526 1.00 10.35 H new ATOM 0 HA ARG A 86 -2.115 -9.912 -13.825 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -2.159 -11.084 -11.538 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -3.000 -9.670 -10.934 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -4.704 -10.055 -12.823 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -3.938 -11.613 -13.061 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -4.395 -12.225 -10.709 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -5.102 -10.648 -10.418 1.00 12.13 H new ATOM 0 HE ARG A 86 -6.462 -11.861 -12.626 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -6.042 -12.186 -9.133 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -7.635 -12.911 -8.894 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -8.506 -12.789 -12.307 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -9.023 -13.252 -10.682 1.00 14.09 H new ATOM 1311 N GLU A 87 -2.617 -7.172 -12.045 1.00 11.71 N ATOM 1312 CA GLU A 87 -3.239 -5.854 -12.069 1.00 12.58 C ATOM 1313 C GLU A 87 -2.805 -5.080 -13.307 1.00 13.20 C ATOM 1314 O GLU A 87 -3.631 -4.478 -13.994 1.00 14.14 O ATOM 1315 CB GLU A 87 -2.882 -5.069 -10.804 1.00 12.36 C ATOM 1316 CG GLU A 87 -3.777 -5.385 -9.616 1.00 12.89 C ATOM 1317 CD GLU A 87 -3.713 -6.842 -9.201 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -4.385 -7.672 -9.849 1.00 13.40 O ATOM 1319 OE2 GLU A 87 -2.991 -7.154 -8.231 1.00 13.47 O ATOM 0 H GLU A 87 -2.022 -7.342 -11.234 1.00 11.71 H new ATOM 0 HA GLU A 87 -4.320 -5.988 -12.103 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -1.847 -5.282 -10.535 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -2.943 -4.002 -11.020 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -3.487 -4.759 -8.772 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -4.807 -5.128 -9.865 1.00 12.89 H new ATOM 1326 N ALA A 88 -1.503 -5.099 -13.588 1.00 12.78 N ATOM 1327 CA ALA A 88 -0.966 -4.406 -14.753 1.00 13.49 C ATOM 1328 C ALA A 88 -1.644 -4.897 -16.027 1.00 14.13 C ATOM 1329 O ALA A 88 -1.938 -4.114 -16.930 1.00 15.06 O ATOM 1330 CB ALA A 88 0.539 -4.603 -14.842 1.00 13.06 C ATOM 0 H ALA A 88 -0.804 -5.585 -13.026 1.00 12.78 H new ATOM 0 HA ALA A 88 -1.169 -3.341 -14.644 1.00 13.49 H new ATOM 0 HB1 ALA A 88 0.923 -4.079 -15.717 1.00 13.06 H new ATOM 0 HB2 ALA A 88 1.012 -4.205 -13.944 1.00 13.06 H new ATOM 0 HB3 ALA A 88 0.762 -5.666 -14.929 1.00 13.06 H new ATOM 1336 N PHE A 89 -1.888 -6.203 -16.089 1.00 13.73 N ATOM 1337 CA PHE A 89 -2.541 -6.809 -17.242 1.00 14.46 C ATOM 1338 C PHE A 89 -3.932 -6.214 -17.442 1.00 15.32 C ATOM 1339 O PHE A 89 -4.340 -5.921 -18.566 1.00 16.24 O ATOM 1340 CB PHE A 89 -2.633 -8.329 -17.052 1.00 14.00 C ATOM 1341 CG PHE A 89 -3.753 -8.978 -17.816 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -3.614 -9.275 -19.162 1.00 15.46 C ATOM 1343 CD2 PHE A 89 -4.947 -9.287 -17.184 1.00 15.30 C ATOM 1344 CE1 PHE A 89 -4.646 -9.869 -19.864 1.00 16.38 C ATOM 1345 CE2 PHE A 89 -5.982 -9.880 -17.881 1.00 16.22 C ATOM 1346 CZ PHE A 89 -5.832 -10.170 -19.222 1.00 16.75 C ATOM 0 H PHE A 89 -1.642 -6.863 -15.351 1.00 13.73 H new ATOM 0 HA PHE A 89 -1.947 -6.599 -18.132 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -1.689 -8.780 -17.359 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -2.759 -8.544 -15.991 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -2.689 -9.040 -19.668 1.00 15.46 H new ATOM 0 HD2 PHE A 89 -5.070 -9.062 -16.135 1.00 15.30 H new ATOM 0 HE1 PHE A 89 -4.526 -10.097 -20.913 1.00 16.38 H new ATOM 0 HE2 PHE A 89 -6.908 -10.116 -17.377 1.00 16.22 H new ATOM 0 HZ PHE A 89 -6.641 -10.632 -19.769 1.00 16.75 H new ATOM 1356 N LYS A 90 -4.652 -6.037 -16.339 1.00 15.11 N ATOM 1357 CA LYS A 90 -5.997 -5.477 -16.380 1.00 16.01 C ATOM 1358 C LYS A 90 -5.978 -4.047 -16.910 1.00 16.75 C ATOM 1359 O LYS A 90 -6.861 -3.644 -17.667 1.00 17.70 O ATOM 1360 CB LYS A 90 -6.620 -5.514 -14.985 1.00 15.74 C ATOM 1361 CG LYS A 90 -6.624 -6.903 -14.369 1.00 15.19 C ATOM 1362 CD LYS A 90 -7.184 -6.896 -12.959 1.00 15.14 C ATOM 1363 CE LYS A 90 -6.857 -8.190 -12.230 1.00 14.45 C ATOM 1364 NZ LYS A 90 -7.552 -8.281 -10.916 1.00 14.90 N ATOM 0 H LYS A 90 -4.324 -6.274 -15.403 1.00 15.11 H new ATOM 0 HA LYS A 90 -6.600 -6.081 -17.058 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -6.072 -4.835 -14.331 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -7.644 -5.145 -15.041 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -7.216 -7.574 -14.991 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -5.607 -7.296 -14.354 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -6.774 -6.051 -12.406 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -8.265 -6.759 -12.995 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -7.144 -9.039 -12.851 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -5.780 -8.257 -12.076 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -7.302 -9.178 -10.452 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -7.260 -7.486 -10.313 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -8.581 -8.243 -11.064 1.00 14.90 H new ATOM 1378 N ILE A 91 -4.966 -3.285 -16.505 1.00 16.40 N ATOM 1379 CA ILE A 91 -4.830 -1.899 -16.942 1.00 17.17 C ATOM 1380 C ILE A 91 -4.767 -1.805 -18.464 1.00 17.84 C ATOM 1381 O ILE A 91 -5.510 -1.036 -19.076 1.00 18.78 O ATOM 1382 CB ILE A 91 -3.574 -1.239 -16.341 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -3.622 -1.307 -14.813 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -3.457 0.205 -16.809 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -2.356 -0.820 -14.140 1.00 16.20 C ATOM 0 H ILE A 91 -4.229 -3.603 -15.876 1.00 16.40 H new ATOM 0 HA ILE A 91 -5.713 -1.367 -16.586 1.00 17.17 H new ATOM 0 HB ILE A 91 -2.694 -1.783 -16.685 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -4.463 -0.711 -14.458 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -3.810 -2.337 -14.510 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -2.565 0.657 -16.376 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -3.385 0.230 -17.896 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -4.337 0.763 -16.491 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -2.466 -0.898 -13.058 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -1.513 -1.431 -14.465 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -2.176 0.220 -14.412 1.00 16.20 H new ATOM 1397 N PHE A 92 -3.880 -2.589 -19.073 1.00 17.43 N ATOM 1398 CA PHE A 92 -3.733 -2.584 -20.526 1.00 18.14 C ATOM 1399 C PHE A 92 -5.011 -3.072 -21.205 1.00 18.80 C ATOM 1400 O PHE A 92 -5.192 -2.891 -22.409 1.00 19.63 O ATOM 1401 CB PHE A 92 -2.532 -3.435 -20.957 1.00 17.63 C ATOM 1402 CG PHE A 92 -1.207 -2.801 -20.632 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -0.724 -1.738 -21.384 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -0.453 -3.253 -19.562 1.00 17.12 C ATOM 1405 CE1 PHE A 92 0.483 -1.144 -21.074 1.00 17.60 C ATOM 1406 CE2 PHE A 92 0.758 -2.666 -19.250 1.00 17.07 C ATOM 1407 CZ PHE A 92 1.226 -1.611 -20.007 1.00 17.34 C ATOM 0 H PHE A 92 -3.256 -3.232 -18.586 1.00 17.43 H new ATOM 0 HA PHE A 92 -3.552 -1.556 -20.841 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -2.591 -4.408 -20.469 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -2.588 -3.613 -22.031 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -1.300 -1.372 -22.221 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -0.816 -4.075 -18.964 1.00 17.12 H new ATOM 0 HE1 PHE A 92 0.846 -0.316 -21.665 1.00 17.60 H new ATOM 0 HE2 PHE A 92 1.337 -3.032 -18.415 1.00 17.07 H new ATOM 0 HZ PHE A 92 2.173 -1.151 -19.765 1.00 17.34 H new ATOM 1417 N ASP A 93 -5.896 -3.685 -20.423 1.00 18.51 N ATOM 1418 CA ASP A 93 -7.162 -4.196 -20.943 1.00 19.23 C ATOM 1419 C ASP A 93 -8.300 -3.213 -20.668 1.00 19.92 C ATOM 1420 O ASP A 93 -8.676 -2.996 -19.516 1.00 19.65 O ATOM 1421 CB ASP A 93 -7.483 -5.552 -20.310 1.00 18.69 C ATOM 1422 CG ASP A 93 -8.648 -6.249 -20.985 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -9.008 -5.844 -22.112 1.00 19.89 O ATOM 1424 OD2 ASP A 93 -9.204 -7.194 -20.389 1.00 20.02 O ATOM 0 H ASP A 93 -5.759 -3.840 -19.424 1.00 18.51 H new ATOM 0 HA ASP A 93 -7.063 -4.317 -22.022 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -6.602 -6.191 -20.363 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -7.711 -5.411 -19.254 1.00 18.69 H new ATOM 1429 N ARG A 94 -8.845 -2.622 -21.729 1.00 20.90 N ATOM 1430 CA ARG A 94 -9.938 -1.662 -21.588 1.00 21.70 C ATOM 1431 C ARG A 94 -11.254 -2.373 -21.281 1.00 22.13 C ATOM 1432 O ARG A 94 -12.105 -1.840 -20.568 1.00 22.63 O ATOM 1433 CB ARG A 94 -10.097 -0.821 -22.862 1.00 22.67 C ATOM 1434 CG ARG A 94 -8.790 -0.286 -23.435 1.00 22.53 C ATOM 1435 CD ARG A 94 -7.960 0.445 -22.393 1.00 22.13 C ATOM 1436 NE ARG A 94 -8.781 1.286 -21.526 1.00 22.41 N ATOM 1437 CZ ARG A 94 -8.393 2.471 -21.064 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -7.203 2.957 -21.391 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -9.196 3.173 -20.276 1.00 23.01 N ATOM 0 H ARG A 94 -8.550 -2.789 -22.691 1.00 20.90 H new ATOM 0 HA ARG A 94 -9.689 -1.003 -20.756 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -10.591 -1.426 -23.622 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -10.756 0.020 -22.647 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -8.210 -1.113 -23.844 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -9.008 0.390 -24.262 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -7.420 -0.282 -21.786 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -7.213 1.061 -22.893 1.00 22.13 H new ATOM 0 HE ARG A 94 -9.705 0.945 -21.260 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -6.583 2.421 -21.998 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -6.908 3.866 -21.035 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -10.113 2.804 -20.023 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -8.897 4.082 -19.922 1.00 23.01 H new ATOM 1453 N ASP A 95 -11.416 -3.576 -21.826 1.00 22.06 N ATOM 1454 CA ASP A 95 -12.633 -4.356 -21.613 1.00 22.57 C ATOM 1455 C ASP A 95 -12.438 -5.377 -20.497 1.00 21.80 C ATOM 1456 O ASP A 95 -11.322 -5.598 -20.030 1.00 20.81 O ATOM 1457 CB ASP A 95 -13.035 -5.077 -22.901 1.00 23.28 C ATOM 1458 CG ASP A 95 -12.724 -4.270 -24.144 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -13.389 -3.233 -24.358 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -11.816 -4.672 -24.904 1.00 24.00 O ATOM 0 H ASP A 95 -10.721 -4.032 -22.418 1.00 22.06 H new ATOM 0 HA ASP A 95 -13.426 -3.667 -21.322 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -12.515 -6.034 -22.954 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -14.103 -5.295 -22.872 1.00 23.28 H new ATOM 1465 N GLY A 96 -13.539 -5.992 -20.071 1.00 22.31 N ATOM 1466 CA GLY A 96 -13.478 -6.989 -19.019 1.00 21.77 C ATOM 1467 C GLY A 96 -13.528 -8.407 -19.559 1.00 21.93 C ATOM 1468 O GLY A 96 -13.594 -9.367 -18.791 1.00 21.68 O ATOM 0 H GLY A 96 -14.474 -5.816 -20.438 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -12.560 -6.854 -18.447 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -14.308 -6.837 -18.330 1.00 21.77 H new ATOM 1472 N ASP A 97 -13.504 -8.535 -20.885 1.00 22.44 N ATOM 1473 CA ASP A 97 -13.557 -9.843 -21.536 1.00 22.79 C ATOM 1474 C ASP A 97 -12.491 -10.785 -20.981 1.00 21.82 C ATOM 1475 O ASP A 97 -12.743 -11.975 -20.789 1.00 22.02 O ATOM 1476 CB ASP A 97 -13.383 -9.691 -23.049 1.00 23.40 C ATOM 1477 CG ASP A 97 -11.999 -9.200 -23.431 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -11.696 -8.018 -23.166 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -11.218 -9.996 -23.991 1.00 22.66 O ATOM 0 H ASP A 97 -13.448 -7.747 -21.530 1.00 22.44 H new ATOM 0 HA ASP A 97 -14.535 -10.278 -21.329 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -13.570 -10.651 -23.531 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -14.130 -8.993 -23.429 1.00 23.40 H new ATOM 1484 N GLY A 98 -11.303 -10.246 -20.725 1.00 20.85 N ATOM 1485 CA GLY A 98 -10.223 -11.056 -20.192 1.00 19.90 C ATOM 1486 C GLY A 98 -9.023 -11.110 -21.116 1.00 19.67 C ATOM 1487 O GLY A 98 -8.057 -11.825 -20.847 1.00 18.98 O ATOM 0 H GLY A 98 -11.069 -9.265 -20.877 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -9.915 -10.655 -19.226 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -10.586 -12.068 -20.015 1.00 19.90 H new ATOM 1491 N PHE A 99 -9.084 -10.360 -22.213 1.00 20.36 N ATOM 1492 CA PHE A 99 -7.986 -10.321 -23.174 1.00 20.37 C ATOM 1493 C PHE A 99 -7.753 -8.895 -23.666 1.00 20.60 C ATOM 1494 O PHE A 99 -8.657 -8.058 -23.629 1.00 21.08 O ATOM 1495 CB PHE A 99 -8.257 -11.258 -24.354 1.00 21.34 C ATOM 1496 CG PHE A 99 -8.704 -12.633 -23.942 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -7.777 -13.620 -23.646 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -10.052 -12.938 -23.853 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -8.187 -14.884 -23.269 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -10.468 -14.202 -23.478 1.00 22.21 C ATOM 1501 CZ PHE A 99 -9.527 -15.175 -23.175 1.00 22.08 C ATOM 0 H PHE A 99 -9.881 -9.772 -22.458 1.00 20.36 H new ATOM 0 HA PHE A 99 -7.083 -10.664 -22.669 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -9.021 -10.813 -24.992 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -7.351 -11.344 -24.954 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -6.722 -13.398 -23.711 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -10.787 -12.180 -24.079 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -7.453 -15.645 -23.048 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -11.522 -14.431 -23.421 1.00 22.21 H new ATOM 0 HZ PHE A 99 -9.847 -16.159 -22.866 1.00 22.08 H new ATOM 1511 N ILE A 100 -6.534 -8.625 -24.129 1.00 20.36 N ATOM 1512 CA ILE A 100 -6.174 -7.292 -24.603 1.00 20.66 C ATOM 1513 C ILE A 100 -5.887 -7.278 -26.098 1.00 21.62 C ATOM 1514 O ILE A 100 -5.393 -8.255 -26.657 1.00 21.77 O ATOM 1515 CB ILE A 100 -4.925 -6.767 -23.871 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -5.045 -7.007 -22.367 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -4.722 -5.286 -24.164 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -3.754 -6.774 -21.613 1.00 17.74 C ATOM 0 H ILE A 100 -5.781 -9.311 -24.186 1.00 20.36 H new ATOM 0 HA ILE A 100 -7.031 -6.651 -24.396 1.00 20.66 H new ATOM 0 HB ILE A 100 -4.055 -7.313 -24.236 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -5.816 -6.351 -21.963 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -5.376 -8.031 -22.196 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -3.835 -4.930 -23.640 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -4.592 -5.142 -25.237 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -5.593 -4.725 -23.826 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -3.913 -6.963 -20.551 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -2.985 -7.449 -21.990 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -3.432 -5.742 -21.753 1.00 17.74 H new ATOM 1530 N SER A 101 -6.200 -6.156 -26.737 1.00 22.35 N ATOM 1531 CA SER A 101 -5.963 -5.993 -28.165 1.00 23.35 C ATOM 1532 C SER A 101 -5.016 -4.822 -28.411 1.00 23.43 C ATOM 1533 O SER A 101 -4.945 -3.903 -27.594 1.00 22.96 O ATOM 1534 CB SER A 101 -7.278 -5.766 -28.912 1.00 24.38 C ATOM 1535 OG SER A 101 -8.035 -4.731 -28.312 1.00 24.61 O ATOM 0 H SER A 101 -6.620 -5.343 -26.286 1.00 22.35 H new ATOM 0 HA SER A 101 -5.505 -6.908 -28.541 1.00 23.35 H new ATOM 0 HB2 SER A 101 -7.070 -5.512 -29.951 1.00 24.38 H new ATOM 0 HB3 SER A 101 -7.859 -6.688 -28.919 1.00 24.38 H new ATOM 0 HG SER A 101 -8.434 -5.058 -27.479 1.00 24.61 H new ATOM 1541 N PRO A 102 -4.274 -4.834 -29.530 1.00 24.11 N ATOM 1542 CA PRO A 102 -3.331 -3.761 -29.859 1.00 24.36 C ATOM 1543 C PRO A 102 -3.934 -2.372 -29.668 1.00 24.64 C ATOM 1544 O PRO A 102 -3.257 -1.451 -29.215 1.00 24.44 O ATOM 1545 CB PRO A 102 -3.020 -4.018 -31.332 1.00 25.42 C ATOM 1546 CG PRO A 102 -3.173 -5.490 -31.489 1.00 25.38 C ATOM 1547 CD PRO A 102 -4.287 -5.891 -30.562 1.00 24.81 C ATOM 0 HA PRO A 102 -2.453 -3.771 -29.213 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -3.705 -3.475 -31.984 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -2.011 -3.693 -31.588 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -3.411 -5.750 -32.520 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -2.248 -6.008 -31.235 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -5.245 -5.934 -31.081 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -4.114 -6.876 -30.129 1.00 24.81 H new ATOM 1555 N ALA A 103 -5.210 -2.228 -30.016 1.00 25.18 N ATOM 1556 CA ALA A 103 -5.900 -0.950 -29.870 1.00 25.58 C ATOM 1557 C ALA A 103 -5.941 -0.536 -28.406 1.00 24.70 C ATOM 1558 O ALA A 103 -5.521 0.565 -28.043 1.00 24.78 O ATOM 1559 CB ALA A 103 -7.311 -1.049 -30.427 1.00 26.36 C ATOM 0 H ALA A 103 -5.785 -2.978 -30.400 1.00 25.18 H new ATOM 0 HA ALA A 103 -5.353 -0.192 -30.431 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -7.816 -0.090 -30.312 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -7.267 -1.312 -31.484 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -7.863 -1.816 -29.885 1.00 26.36 H new ATOM 1565 N GLU A 104 -6.450 -1.436 -27.574 1.00 23.94 N ATOM 1566 CA GLU A 104 -6.552 -1.204 -26.143 1.00 23.10 C ATOM 1567 C GLU A 104 -5.197 -0.815 -25.576 1.00 22.34 C ATOM 1568 O GLU A 104 -5.081 0.128 -24.793 1.00 22.06 O ATOM 1569 CB GLU A 104 -7.062 -2.471 -25.458 1.00 22.54 C ATOM 1570 CG GLU A 104 -8.485 -2.841 -25.842 1.00 23.20 C ATOM 1571 CD GLU A 104 -8.956 -4.112 -25.165 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -9.419 -4.031 -24.010 1.00 22.57 O ATOM 1573 OE2 GLU A 104 -8.863 -5.189 -25.791 1.00 22.70 O ATOM 0 H GLU A 104 -6.803 -2.345 -27.874 1.00 23.94 H new ATOM 0 HA GLU A 104 -7.251 -0.388 -25.961 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -6.400 -3.300 -25.708 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -7.010 -2.336 -24.378 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -9.154 -2.022 -25.577 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -8.546 -2.965 -26.923 1.00 23.20 H new ATOM 1580 N LEU A 105 -4.173 -1.554 -25.987 1.00 22.13 N ATOM 1581 CA LEU A 105 -2.814 -1.297 -25.541 1.00 21.50 C ATOM 1582 C LEU A 105 -2.397 0.112 -25.931 1.00 22.09 C ATOM 1583 O LEU A 105 -1.937 0.893 -25.101 1.00 21.66 O ATOM 1584 CB LEU A 105 -1.849 -2.299 -26.176 1.00 21.47 C ATOM 1585 CG LEU A 105 -0.593 -2.582 -25.355 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -0.855 -3.672 -24.328 1.00 20.35 C ATOM 1587 CD2 LEU A 105 0.555 -2.974 -26.257 1.00 20.76 C ATOM 0 H LEU A 105 -4.262 -2.339 -26.632 1.00 22.13 H new ATOM 0 HA LEU A 105 -2.781 -1.402 -24.457 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -2.378 -3.238 -26.341 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -1.550 -1.925 -27.155 1.00 21.47 H new ATOM 0 HG LEU A 105 -0.321 -1.669 -24.825 1.00 20.64 H new ATOM 0 HD11 LEU A 105 0.053 -3.857 -23.754 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -1.651 -3.354 -23.655 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -1.155 -4.587 -24.838 1.00 20.35 H new ATOM 0 HD21 LEU A 105 1.441 -3.172 -25.653 1.00 20.76 H new ATOM 0 HD22 LEU A 105 0.289 -3.871 -26.816 1.00 20.76 H new ATOM 0 HD23 LEU A 105 0.764 -2.162 -26.953 1.00 20.76 H new ATOM 1599 N ARG A 106 -2.576 0.420 -27.208 1.00 23.15 N ATOM 1600 CA ARG A 106 -2.221 1.718 -27.759 1.00 23.87 C ATOM 1601 C ARG A 106 -2.769 2.869 -26.915 1.00 23.93 C ATOM 1602 O ARG A 106 -2.150 3.927 -26.823 1.00 24.00 O ATOM 1603 CB ARG A 106 -2.708 1.803 -29.209 1.00 25.01 C ATOM 1604 CG ARG A 106 -3.206 3.175 -29.635 1.00 25.84 C ATOM 1605 CD ARG A 106 -2.055 4.122 -29.928 1.00 26.70 C ATOM 1606 NE ARG A 106 -2.517 5.488 -30.160 1.00 27.44 N ATOM 1607 CZ ARG A 106 -2.376 6.132 -31.315 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -1.795 5.531 -32.346 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -2.817 7.375 -31.440 1.00 28.96 N ATOM 0 H ARG A 106 -2.972 -0.225 -27.891 1.00 23.15 H new ATOM 0 HA ARG A 106 -1.136 1.817 -27.741 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -1.893 1.507 -29.869 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -3.512 1.080 -29.351 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -3.831 3.076 -30.522 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -3.833 3.596 -28.848 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -1.356 4.113 -29.092 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -1.510 3.770 -30.804 1.00 26.70 H new ATOM 0 HE ARG A 106 -2.975 5.977 -29.391 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -1.456 4.574 -32.253 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -1.688 6.027 -33.231 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -3.265 7.839 -30.650 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -2.708 7.868 -32.326 1.00 28.96 H new ATOM 1623 N PHE A 107 -3.934 2.677 -26.321 1.00 24.01 N ATOM 1624 CA PHE A 107 -4.530 3.713 -25.488 1.00 24.21 C ATOM 1625 C PHE A 107 -3.941 3.710 -24.077 1.00 23.32 C ATOM 1626 O PHE A 107 -3.895 4.747 -23.414 1.00 23.61 O ATOM 1627 CB PHE A 107 -6.048 3.533 -25.418 1.00 24.45 C ATOM 1628 CG PHE A 107 -6.740 3.714 -26.740 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -6.599 4.893 -27.455 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -7.530 2.705 -27.269 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -7.232 5.064 -28.671 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -8.165 2.870 -28.486 1.00 25.94 C ATOM 1633 CZ PHE A 107 -8.024 4.049 -29.183 1.00 26.22 C ATOM 0 H PHE A 107 -4.484 1.821 -26.397 1.00 24.01 H new ATOM 0 HA PHE A 107 -4.301 4.675 -25.947 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -6.269 2.537 -25.036 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -6.457 4.247 -24.703 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -5.986 5.688 -27.056 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -7.651 1.780 -26.725 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -7.110 5.986 -29.221 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -8.772 2.073 -28.890 1.00 25.94 H new ATOM 0 HZ PHE A 107 -8.530 4.182 -30.128 1.00 26.22 H new ATOM 1643 N VAL A 108 -3.491 2.543 -23.621 1.00 22.31 N ATOM 1644 CA VAL A 108 -2.947 2.406 -22.271 1.00 21.42 C ATOM 1645 C VAL A 108 -1.483 2.838 -22.131 1.00 21.31 C ATOM 1646 O VAL A 108 -1.167 3.614 -21.238 1.00 21.31 O ATOM 1647 CB VAL A 108 -3.095 0.969 -21.749 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -2.566 0.869 -20.323 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -4.553 0.537 -21.819 1.00 20.26 C ATOM 0 H VAL A 108 -3.492 1.680 -24.165 1.00 22.31 H new ATOM 0 HA VAL A 108 -3.543 3.092 -21.668 1.00 21.42 H new ATOM 0 HB VAL A 108 -2.507 0.299 -22.377 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -2.677 -0.154 -19.965 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -1.512 1.148 -20.305 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -3.130 1.542 -19.678 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -4.648 -0.483 -21.447 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -5.160 1.205 -21.208 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -4.896 0.580 -22.853 1.00 20.26 H new ATOM 1659 N MET A 109 -0.588 2.335 -22.986 1.00 21.33 N ATOM 1660 CA MET A 109 0.836 2.681 -22.873 1.00 21.35 C ATOM 1661 C MET A 109 1.026 4.187 -22.731 1.00 22.24 C ATOM 1662 O MET A 109 1.916 4.646 -22.016 1.00 22.21 O ATOM 1663 CB MET A 109 1.631 2.173 -24.075 1.00 21.65 C ATOM 1664 CG MET A 109 1.020 0.960 -24.755 1.00 20.93 C ATOM 1665 SD MET A 109 0.733 1.211 -26.520 1.00 20.76 S ATOM 1666 CE MET A 109 0.508 2.993 -26.625 1.00 21.25 C ATOM 0 H MET A 109 -0.815 1.699 -23.750 1.00 21.33 H new ATOM 0 HA MET A 109 1.214 2.192 -21.975 1.00 21.35 H new ATOM 0 HB2 MET A 109 1.721 2.978 -24.804 1.00 21.65 H new ATOM 0 HB3 MET A 109 2.641 1.924 -23.750 1.00 21.65 H new ATOM 0 HG2 MET A 109 1.679 0.103 -24.618 1.00 20.93 H new ATOM 0 HG3 MET A 109 0.075 0.716 -24.270 1.00 20.93 H new ATOM 0 HE1 MET A 109 0.100 3.251 -27.602 1.00 21.25 H new ATOM 0 HE2 MET A 109 -0.181 3.319 -25.846 1.00 21.25 H new ATOM 0 HE3 MET A 109 1.469 3.490 -26.490 1.00 21.25 H new ATOM 1676 N ILE A 110 0.180 4.949 -23.415 1.00 23.11 N ATOM 1677 CA ILE A 110 0.244 6.404 -23.360 1.00 24.06 C ATOM 1678 C ILE A 110 -0.104 6.905 -21.960 1.00 23.82 C ATOM 1679 O ILE A 110 0.414 7.924 -21.504 1.00 24.33 O ATOM 1680 CB ILE A 110 -0.710 7.033 -24.391 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -0.423 6.457 -25.779 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -0.565 8.548 -24.395 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -1.484 6.780 -26.807 1.00 26.28 C ATOM 0 H ILE A 110 -0.559 4.582 -24.015 1.00 23.11 H new ATOM 0 HA ILE A 110 1.264 6.703 -23.599 1.00 24.06 H new ATOM 0 HB ILE A 110 -1.738 6.794 -24.118 1.00 25.05 H new ATOM 0 HG12 ILE A 110 0.536 6.839 -26.129 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -0.326 5.374 -25.699 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -1.247 8.977 -25.130 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -0.804 8.939 -23.406 1.00 26.06 H new ATOM 0 HG23 ILE A 110 0.460 8.815 -24.652 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -1.209 6.338 -27.765 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -2.442 6.374 -26.481 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -1.567 7.861 -26.917 1.00 26.28 H new ATOM 1695 N ASN A 111 -0.987 6.173 -21.288 1.00 23.14 N ATOM 1696 CA ASN A 111 -1.407 6.514 -19.933 1.00 22.94 C ATOM 1697 C ASN A 111 -0.227 6.424 -18.973 1.00 22.38 C ATOM 1698 O ASN A 111 -0.052 7.273 -18.098 1.00 22.72 O ATOM 1699 CB ASN A 111 -2.516 5.565 -19.474 1.00 22.34 C ATOM 1700 CG ASN A 111 -3.790 5.730 -20.282 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -4.569 4.660 -20.385 1.00 23.74 O flip ATOM 1702 ND2 ASN A 111 -4.071 6.809 -20.804 1.00 23.04 N flip ATOM 0 H ASN A 111 -1.428 5.334 -21.663 1.00 23.14 H new ATOM 0 HA ASN A 111 -1.785 7.536 -19.934 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -2.167 4.536 -19.557 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -2.731 5.745 -18.421 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -3.443 7.605 -20.699 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -4.932 6.906 -21.342 1.00 23.04 H new ATOM 1709 N LEU A 112 0.574 5.379 -19.149 1.00 21.58 N ATOM 1710 CA LEU A 112 1.748 5.149 -18.315 1.00 21.04 C ATOM 1711 C LEU A 112 2.698 6.336 -18.393 1.00 21.87 C ATOM 1712 O LEU A 112 3.324 6.718 -17.404 1.00 21.84 O ATOM 1713 CB LEU A 112 2.482 3.887 -18.775 1.00 20.05 C ATOM 1714 CG LEU A 112 1.773 2.555 -18.504 1.00 19.21 C ATOM 1715 CD1 LEU A 112 0.374 2.536 -19.092 1.00 19.02 C ATOM 1716 CD2 LEU A 112 2.593 1.404 -19.064 1.00 18.68 C ATOM 0 H LEU A 112 0.429 4.671 -19.869 1.00 21.58 H new ATOM 0 HA LEU A 112 1.415 5.023 -17.285 1.00 21.04 H new ATOM 0 HB2 LEU A 112 2.662 3.967 -19.847 1.00 20.05 H new ATOM 0 HB3 LEU A 112 3.457 3.861 -18.289 1.00 20.05 H new ATOM 0 HG LEU A 112 1.680 2.440 -17.424 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -0.097 1.576 -18.880 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -0.218 3.337 -18.649 1.00 19.02 H new ATOM 0 HD13 LEU A 112 0.431 2.682 -20.171 1.00 19.02 H new ATOM 0 HD21 LEU A 112 2.081 0.462 -18.866 1.00 18.68 H new ATOM 0 HD22 LEU A 112 2.714 1.533 -20.140 1.00 18.68 H new ATOM 0 HD23 LEU A 112 3.574 1.391 -18.588 1.00 18.68 H new ATOM 1728 N GLY A 113 2.793 6.908 -19.584 1.00 22.70 N ATOM 1729 CA GLY A 113 3.669 8.040 -19.808 1.00 23.62 C ATOM 1730 C GLY A 113 4.733 7.717 -20.837 1.00 23.76 C ATOM 1731 O GLY A 113 5.661 8.496 -21.056 1.00 24.44 O ATOM 0 H GLY A 113 2.273 6.605 -20.407 1.00 22.70 H new ATOM 0 HA2 GLY A 113 3.083 8.895 -20.144 1.00 23.62 H new ATOM 0 HA3 GLY A 113 4.143 8.327 -18.869 1.00 23.62 H new ATOM 1735 N GLU A 114 4.585 6.556 -21.467 1.00 23.22 N ATOM 1736 CA GLU A 114 5.525 6.096 -22.478 1.00 23.41 C ATOM 1737 C GLU A 114 4.828 5.957 -23.833 1.00 24.22 C ATOM 1738 O GLU A 114 3.847 5.223 -23.969 1.00 24.14 O ATOM 1739 CB GLU A 114 6.156 4.770 -22.022 1.00 22.59 C ATOM 1740 CG GLU A 114 6.238 3.700 -23.096 1.00 21.89 C ATOM 1741 CD GLU A 114 7.323 3.973 -24.121 1.00 21.84 C ATOM 1742 OE1 GLU A 114 7.511 5.152 -24.486 1.00 21.97 O ATOM 1743 OE2 GLU A 114 7.982 3.009 -24.565 1.00 21.76 O ATOM 0 H GLU A 114 3.814 5.912 -21.291 1.00 23.22 H new ATOM 0 HA GLU A 114 6.321 6.830 -22.600 1.00 23.41 H new ATOM 0 HB2 GLU A 114 7.161 4.971 -21.652 1.00 22.59 H new ATOM 0 HB3 GLU A 114 5.580 4.379 -21.183 1.00 22.59 H new ATOM 0 HG2 GLU A 114 6.424 2.734 -22.626 1.00 21.89 H new ATOM 0 HG3 GLU A 114 5.276 3.627 -23.603 1.00 21.89 H new ATOM 1750 N LYS A 115 5.333 6.684 -24.828 1.00 25.07 N ATOM 1751 CA LYS A 115 4.766 6.651 -26.172 1.00 25.94 C ATOM 1752 C LYS A 115 5.399 5.543 -27.009 1.00 25.87 C ATOM 1753 O LYS A 115 6.613 5.336 -26.973 1.00 26.08 O ATOM 1754 CB LYS A 115 4.963 8.002 -26.863 1.00 27.05 C ATOM 1755 CG LYS A 115 4.374 8.058 -28.264 1.00 27.83 C ATOM 1756 CD LYS A 115 4.596 9.415 -28.917 1.00 28.38 C ATOM 1757 CE LYS A 115 6.017 9.567 -29.444 1.00 29.16 C ATOM 1758 NZ LYS A 115 7.007 9.743 -28.346 1.00 29.75 N ATOM 0 H LYS A 115 6.136 7.304 -24.727 1.00 25.07 H new ATOM 0 HA LYS A 115 3.699 6.446 -26.082 1.00 25.94 H new ATOM 0 HB2 LYS A 115 4.507 8.783 -26.254 1.00 27.05 H new ATOM 0 HB3 LYS A 115 6.029 8.222 -26.917 1.00 27.05 H new ATOM 0 HG2 LYS A 115 4.826 7.280 -28.880 1.00 27.83 H new ATOM 0 HG3 LYS A 115 3.306 7.847 -28.218 1.00 27.83 H new ATOM 0 HD2 LYS A 115 3.889 9.543 -29.737 1.00 28.38 H new ATOM 0 HD3 LYS A 115 4.391 10.204 -28.193 1.00 28.38 H new ATOM 0 HE2 LYS A 115 6.281 8.688 -30.032 1.00 29.16 H new ATOM 0 HE3 LYS A 115 6.064 10.425 -30.115 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 7.751 10.403 -28.652 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 6.529 10.126 -27.505 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 7.434 8.824 -28.113 1.00 29.75 H new ATOM 1772 N VAL A 116 4.566 4.840 -27.769 1.00 25.67 N ATOM 1773 CA VAL A 116 5.032 3.753 -28.622 1.00 25.69 C ATOM 1774 C VAL A 116 4.259 3.709 -29.930 1.00 26.53 C ATOM 1775 O VAL A 116 3.125 4.183 -30.014 1.00 26.78 O ATOM 1776 CB VAL A 116 4.869 2.382 -27.941 1.00 24.51 C ATOM 1777 CG1 VAL A 116 5.846 2.208 -26.795 1.00 23.77 C ATOM 1778 CG2 VAL A 116 3.447 2.210 -27.457 1.00 24.02 C ATOM 0 H VAL A 116 3.560 5.005 -27.811 1.00 25.67 H new ATOM 0 HA VAL A 116 6.087 3.950 -28.810 1.00 25.69 H new ATOM 0 HB VAL A 116 5.090 1.611 -28.679 1.00 24.51 H new ATOM 0 HG11 VAL A 116 5.701 1.229 -26.339 1.00 23.77 H new ATOM 0 HG12 VAL A 116 6.866 2.286 -27.171 1.00 23.77 H new ATOM 0 HG13 VAL A 116 5.674 2.984 -26.050 1.00 23.77 H new ATOM 0 HG21 VAL A 116 3.341 1.237 -26.977 1.00 24.02 H new ATOM 0 HG22 VAL A 116 3.209 2.996 -26.741 1.00 24.02 H new ATOM 0 HG23 VAL A 116 2.764 2.272 -28.304 1.00 24.02 H new ATOM 1788 N THR A 117 4.882 3.137 -30.950 1.00 27.04 N ATOM 1789 CA THR A 117 4.248 2.999 -32.250 1.00 27.90 C ATOM 1790 C THR A 117 3.431 1.713 -32.285 1.00 27.38 C ATOM 1791 O THR A 117 3.829 0.702 -31.709 1.00 26.61 O ATOM 1792 CB THR A 117 5.286 2.974 -33.387 1.00 28.88 C ATOM 1793 OG1 THR A 117 6.066 1.774 -33.315 1.00 28.45 O ATOM 1794 CG2 THR A 117 6.205 4.183 -33.309 1.00 29.54 C ATOM 0 H THR A 117 5.829 2.760 -30.901 1.00 27.04 H new ATOM 0 HA THR A 117 3.600 3.862 -32.400 1.00 27.90 H new ATOM 0 HB THR A 117 4.750 3.003 -34.336 1.00 28.88 H new ATOM 0 HG1 THR A 117 6.722 1.766 -34.043 1.00 28.45 H new ATOM 0 HG21 THR A 117 6.929 4.143 -34.123 1.00 29.54 H new ATOM 0 HG22 THR A 117 5.614 5.095 -33.394 1.00 29.54 H new ATOM 0 HG23 THR A 117 6.731 4.179 -32.354 1.00 29.54 H new ATOM 1802 N ASP A 118 2.285 1.757 -32.956 1.00 27.85 N ATOM 1803 CA ASP A 118 1.412 0.591 -33.055 1.00 27.53 C ATOM 1804 C ASP A 118 2.168 -0.629 -33.577 1.00 27.56 C ATOM 1805 O ASP A 118 1.690 -1.757 -33.464 1.00 27.11 O ATOM 1806 CB ASP A 118 0.224 0.895 -33.970 1.00 28.39 C ATOM 1807 CG ASP A 118 -0.672 1.984 -33.412 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -0.316 3.173 -33.549 1.00 28.58 O ATOM 1809 OD2 ASP A 118 -1.728 1.647 -32.834 1.00 28.40 O ATOM 0 H ASP A 118 1.939 2.586 -33.439 1.00 27.85 H new ATOM 0 HA ASP A 118 1.048 0.363 -32.053 1.00 27.53 H new ATOM 0 HB2 ASP A 118 0.592 1.198 -34.950 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -0.361 -0.013 -34.116 1.00 28.39 H new ATOM 1814 N GLU A 119 3.348 -0.396 -34.143 1.00 28.18 N ATOM 1815 CA GLU A 119 4.164 -1.477 -34.687 1.00 28.39 C ATOM 1816 C GLU A 119 4.939 -2.209 -33.592 1.00 27.39 C ATOM 1817 O GLU A 119 4.851 -3.431 -33.474 1.00 26.99 O ATOM 1818 CB GLU A 119 5.139 -0.927 -35.730 1.00 29.53 C ATOM 1819 CG GLU A 119 4.452 -0.278 -36.922 1.00 30.59 C ATOM 1820 CD GLU A 119 3.560 -1.244 -37.678 1.00 31.58 C ATOM 1821 OE1 GLU A 119 4.067 -1.927 -38.592 1.00 32.06 O ATOM 1822 OE2 GLU A 119 2.356 -1.316 -37.356 1.00 31.92 O ATOM 0 H GLU A 119 3.761 0.532 -34.237 1.00 28.18 H new ATOM 0 HA GLU A 119 3.489 -2.193 -35.157 1.00 28.39 H new ATOM 0 HB2 GLU A 119 5.792 -0.195 -35.255 1.00 29.53 H new ATOM 0 HB3 GLU A 119 5.775 -1.738 -36.085 1.00 29.53 H new ATOM 0 HG2 GLU A 119 3.856 0.567 -36.577 1.00 30.59 H new ATOM 0 HG3 GLU A 119 5.207 0.120 -37.600 1.00 30.59 H new ATOM 1829 N GLU A 120 5.698 -1.460 -32.795 1.00 27.04 N ATOM 1830 CA GLU A 120 6.502 -2.051 -31.726 1.00 26.15 C ATOM 1831 C GLU A 120 5.646 -2.829 -30.729 1.00 24.97 C ATOM 1832 O GLU A 120 6.058 -3.884 -30.241 1.00 24.41 O ATOM 1833 CB GLU A 120 7.322 -0.979 -31.006 1.00 26.05 C ATOM 1834 CG GLU A 120 6.493 0.053 -30.267 1.00 25.61 C ATOM 1835 CD GLU A 120 7.355 1.045 -29.512 1.00 25.53 C ATOM 1836 OE1 GLU A 120 7.876 0.682 -28.436 1.00 26.13 O ATOM 1837 OE2 GLU A 120 7.508 2.187 -29.995 1.00 24.93 O ATOM 0 H GLU A 120 5.774 -0.445 -32.868 1.00 27.04 H new ATOM 0 HA GLU A 120 7.186 -2.760 -32.193 1.00 26.15 H new ATOM 0 HB2 GLU A 120 7.991 -1.466 -30.296 1.00 26.05 H new ATOM 0 HB3 GLU A 120 7.950 -0.468 -31.736 1.00 26.05 H new ATOM 0 HG2 GLU A 120 5.864 0.588 -30.978 1.00 25.61 H new ATOM 0 HG3 GLU A 120 5.826 -0.452 -29.568 1.00 25.61 H new ATOM 1844 N ILE A 121 4.452 -2.325 -30.434 1.00 24.65 N ATOM 1845 CA ILE A 121 3.575 -2.998 -29.485 1.00 23.60 C ATOM 1846 C ILE A 121 2.868 -4.187 -30.119 1.00 23.80 C ATOM 1847 O ILE A 121 2.723 -5.235 -29.488 1.00 23.05 O ATOM 1848 CB ILE A 121 2.537 -2.042 -28.881 1.00 23.30 C ATOM 1849 CG1 ILE A 121 1.661 -1.420 -29.973 1.00 24.33 C ATOM 1850 CG2 ILE A 121 3.236 -0.970 -28.065 1.00 22.99 C ATOM 1851 CD1 ILE A 121 0.629 -0.448 -29.445 1.00 24.19 C ATOM 0 H ILE A 121 4.074 -1.465 -30.832 1.00 24.65 H new ATOM 0 HA ILE A 121 4.217 -3.359 -28.682 1.00 23.60 H new ATOM 0 HB ILE A 121 1.881 -2.610 -28.221 1.00 23.30 H new ATOM 0 HG12 ILE A 121 2.300 -0.904 -30.689 1.00 24.33 H new ATOM 0 HG13 ILE A 121 1.152 -2.217 -30.516 1.00 24.33 H new ATOM 0 HG21 ILE A 121 2.494 -0.295 -27.639 1.00 22.99 H new ATOM 0 HG22 ILE A 121 3.805 -1.438 -27.261 1.00 22.99 H new ATOM 0 HG23 ILE A 121 3.912 -0.407 -28.708 1.00 22.99 H new ATOM 0 HD11 ILE A 121 0.047 -0.049 -30.276 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -0.035 -0.964 -28.751 1.00 24.19 H new ATOM 0 HD13 ILE A 121 1.131 0.370 -28.927 1.00 24.19 H new ATOM 1863 N ASP A 122 2.424 -4.030 -31.363 1.00 24.87 N ATOM 1864 CA ASP A 122 1.750 -5.119 -32.058 1.00 25.26 C ATOM 1865 C ASP A 122 2.662 -6.337 -32.113 1.00 25.13 C ATOM 1866 O ASP A 122 2.200 -7.478 -32.104 1.00 24.95 O ATOM 1867 CB ASP A 122 1.351 -4.697 -33.474 1.00 26.55 C ATOM 1868 CG ASP A 122 0.652 -5.810 -34.231 1.00 27.08 C ATOM 1869 OD1 ASP A 122 1.348 -6.599 -34.904 1.00 27.28 O ATOM 1870 OD2 ASP A 122 -0.593 -5.891 -34.153 1.00 27.39 O ATOM 0 H ASP A 122 2.518 -3.170 -31.904 1.00 24.87 H new ATOM 0 HA ASP A 122 0.843 -5.372 -31.509 1.00 25.26 H new ATOM 0 HB2 ASP A 122 0.694 -3.829 -33.420 1.00 26.55 H new ATOM 0 HB3 ASP A 122 2.241 -4.390 -34.024 1.00 26.55 H new ATOM 1875 N GLU A 123 3.967 -6.080 -32.166 1.00 25.32 N ATOM 1876 CA GLU A 123 4.957 -7.146 -32.205 1.00 25.30 C ATOM 1877 C GLU A 123 5.095 -7.786 -30.831 1.00 24.05 C ATOM 1878 O GLU A 123 5.201 -9.005 -30.713 1.00 23.89 O ATOM 1879 CB GLU A 123 6.310 -6.607 -32.672 1.00 25.91 C ATOM 1880 CG GLU A 123 6.321 -6.160 -34.125 1.00 27.23 C ATOM 1881 CD GLU A 123 6.003 -7.289 -35.085 1.00 27.86 C ATOM 1882 OE1 GLU A 123 6.944 -7.994 -35.505 1.00 28.28 O ATOM 1883 OE2 GLU A 123 4.812 -7.465 -35.419 1.00 27.98 O ATOM 0 H GLU A 123 4.361 -5.139 -32.183 1.00 25.32 H new ATOM 0 HA GLU A 123 4.621 -7.902 -32.915 1.00 25.30 H new ATOM 0 HB2 GLU A 123 6.594 -5.765 -32.040 1.00 25.91 H new ATOM 0 HB3 GLU A 123 7.066 -7.379 -32.533 1.00 25.91 H new ATOM 0 HG2 GLU A 123 5.595 -5.358 -34.260 1.00 27.23 H new ATOM 0 HG3 GLU A 123 7.300 -5.747 -34.367 1.00 27.23 H new ATOM 1890 N MET A 124 5.092 -6.953 -29.790 1.00 23.22 N ATOM 1891 CA MET A 124 5.202 -7.445 -28.426 1.00 21.99 C ATOM 1892 C MET A 124 4.023 -8.355 -28.092 1.00 21.54 C ATOM 1893 O MET A 124 4.133 -9.256 -27.260 1.00 20.82 O ATOM 1894 CB MET A 124 5.259 -6.271 -27.445 1.00 21.32 C ATOM 1895 CG MET A 124 5.209 -6.697 -25.990 1.00 20.01 C ATOM 1896 SD MET A 124 5.294 -5.304 -24.847 1.00 19.35 S ATOM 1897 CE MET A 124 3.691 -4.551 -25.108 1.00 19.76 C ATOM 0 H MET A 124 5.015 -5.939 -29.870 1.00 23.22 H new ATOM 0 HA MET A 124 6.122 -8.023 -28.337 1.00 21.99 H new ATOM 0 HB2 MET A 124 6.175 -5.706 -27.619 1.00 21.32 H new ATOM 0 HB3 MET A 124 4.426 -5.598 -27.647 1.00 21.32 H new ATOM 0 HG2 MET A 124 4.288 -7.252 -25.811 1.00 20.01 H new ATOM 0 HG3 MET A 124 6.036 -7.378 -25.787 1.00 20.01 H new ATOM 0 HE1 MET A 124 3.490 -3.837 -24.309 1.00 19.76 H new ATOM 0 HE2 MET A 124 3.684 -4.034 -26.067 1.00 19.76 H new ATOM 0 HE3 MET A 124 2.922 -5.323 -25.106 1.00 19.76 H new ATOM 1907 N ILE A 125 2.897 -8.110 -28.756 1.00 22.08 N ATOM 1908 CA ILE A 125 1.691 -8.901 -28.543 1.00 21.89 C ATOM 1909 C ILE A 125 1.790 -10.248 -29.249 1.00 22.49 C ATOM 1910 O ILE A 125 1.396 -11.276 -28.699 1.00 22.09 O ATOM 1911 CB ILE A 125 0.440 -8.150 -29.044 1.00 22.46 C ATOM 1912 CG1 ILE A 125 0.233 -6.871 -28.227 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -0.790 -9.047 -28.967 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -0.941 -6.034 -28.687 1.00 22.55 C ATOM 0 H ILE A 125 2.796 -7.367 -29.448 1.00 22.08 H new ATOM 0 HA ILE A 125 1.598 -9.068 -27.470 1.00 21.89 H new ATOM 0 HB ILE A 125 0.591 -7.874 -30.088 1.00 22.46 H new ATOM 0 HG12 ILE A 125 0.088 -7.139 -27.181 1.00 21.89 H new ATOM 0 HG13 ILE A 125 1.139 -6.268 -28.279 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -1.662 -8.500 -29.324 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -0.636 -9.930 -29.588 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -0.953 -9.354 -27.934 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -1.023 -5.146 -28.060 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -0.790 -5.734 -29.724 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -1.858 -6.619 -28.609 1.00 22.55 H new ATOM 1926 N ARG A 126 2.316 -10.236 -30.470 1.00 23.53 N ATOM 1927 CA ARG A 126 2.468 -11.459 -31.250 1.00 24.28 C ATOM 1928 C ARG A 126 3.519 -12.376 -30.628 1.00 23.77 C ATOM 1929 O ARG A 126 3.398 -13.600 -30.681 1.00 23.91 O ATOM 1930 CB ARG A 126 2.852 -11.124 -32.693 1.00 25.52 C ATOM 1931 CG ARG A 126 3.154 -12.346 -33.546 1.00 26.44 C ATOM 1932 CD ARG A 126 3.608 -11.953 -34.942 1.00 27.30 C ATOM 1933 NE ARG A 126 4.081 -13.103 -35.707 1.00 28.16 N ATOM 1934 CZ ARG A 126 5.043 -13.036 -36.622 1.00 28.99 C ATOM 1935 NH1 ARG A 126 5.626 -11.876 -36.894 1.00 29.08 N ATOM 1936 NH2 ARG A 126 5.421 -14.131 -37.268 1.00 29.80 N ATOM 0 H ARG A 126 2.644 -9.393 -30.940 1.00 23.53 H new ATOM 0 HA ARG A 126 1.512 -11.982 -31.249 1.00 24.28 H new ATOM 0 HB2 ARG A 126 2.040 -10.562 -33.154 1.00 25.52 H new ATOM 0 HB3 ARG A 126 3.726 -10.473 -32.685 1.00 25.52 H new ATOM 0 HG2 ARG A 126 3.928 -12.944 -33.065 1.00 26.44 H new ATOM 0 HG3 ARG A 126 2.264 -12.972 -33.614 1.00 26.44 H new ATOM 0 HD2 ARG A 126 2.782 -11.480 -35.472 1.00 27.30 H new ATOM 0 HD3 ARG A 126 4.405 -11.213 -34.869 1.00 27.30 H new ATOM 0 HE ARG A 126 3.649 -14.010 -35.529 1.00 28.16 H new ATOM 0 HH11 ARG A 126 5.337 -11.032 -36.400 1.00 29.08 H new ATOM 0 HH12 ARG A 126 6.364 -11.828 -37.597 1.00 29.08 H new ATOM 0 HH21 ARG A 126 4.974 -15.024 -37.063 1.00 29.80 H new ATOM 0 HH22 ARG A 126 6.159 -14.080 -37.970 1.00 29.80 H new ATOM 1950 N GLU A 127 4.549 -11.775 -30.040 1.00 23.26 N ATOM 1951 CA GLU A 127 5.622 -12.535 -29.408 1.00 22.80 C ATOM 1952 C GLU A 127 5.134 -13.213 -28.130 1.00 21.68 C ATOM 1953 O GLU A 127 5.703 -14.214 -27.693 1.00 21.50 O ATOM 1954 CB GLU A 127 6.810 -11.622 -29.095 1.00 22.59 C ATOM 1955 CG GLU A 127 7.504 -11.078 -30.334 1.00 23.70 C ATOM 1956 CD GLU A 127 8.657 -10.151 -29.998 1.00 23.91 C ATOM 1957 OE1 GLU A 127 8.418 -8.934 -29.854 1.00 24.13 O ATOM 1958 OE2 GLU A 127 9.799 -10.643 -29.877 1.00 23.95 O ATOM 0 H GLU A 127 4.663 -10.763 -29.988 1.00 23.26 H new ATOM 0 HA GLU A 127 5.942 -13.308 -30.106 1.00 22.80 H new ATOM 0 HB2 GLU A 127 6.465 -10.786 -28.486 1.00 22.59 H new ATOM 0 HB3 GLU A 127 7.534 -12.175 -28.496 1.00 22.59 H new ATOM 0 HG2 GLU A 127 7.874 -11.910 -30.933 1.00 23.70 H new ATOM 0 HG3 GLU A 127 6.779 -10.542 -30.946 1.00 23.70 H new ATOM 1965 N ALA A 128 4.080 -12.661 -27.537 1.00 21.01 N ATOM 1966 CA ALA A 128 3.515 -13.214 -26.311 1.00 19.97 C ATOM 1967 C ALA A 128 2.296 -14.076 -26.611 1.00 20.40 C ATOM 1968 O ALA A 128 1.935 -14.955 -25.829 1.00 19.88 O ATOM 1969 CB ALA A 128 3.150 -12.094 -25.346 1.00 19.05 C ATOM 0 H ALA A 128 3.600 -11.831 -27.886 1.00 21.01 H new ATOM 0 HA ALA A 128 4.269 -13.848 -25.845 1.00 19.97 H new ATOM 0 HB1 ALA A 128 2.730 -12.521 -24.435 1.00 19.05 H new ATOM 0 HB2 ALA A 128 4.044 -11.521 -25.099 1.00 19.05 H new ATOM 0 HB3 ALA A 128 2.415 -11.437 -25.812 1.00 19.05 H new ATOM 1975 N ASP A 129 1.671 -13.824 -27.755 1.00 21.43 N ATOM 1976 CA ASP A 129 0.487 -14.568 -28.163 1.00 22.05 C ATOM 1977 C ASP A 129 0.864 -15.926 -28.744 1.00 22.75 C ATOM 1978 O ASP A 129 1.388 -16.014 -29.855 1.00 23.69 O ATOM 1979 CB ASP A 129 -0.313 -13.758 -29.185 1.00 22.95 C ATOM 1980 CG ASP A 129 -1.534 -14.499 -29.690 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -2.225 -15.131 -28.864 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -1.795 -14.454 -30.909 1.00 24.38 O ATOM 0 H ASP A 129 1.966 -13.107 -28.418 1.00 21.43 H new ATOM 0 HA ASP A 129 -0.129 -14.739 -27.281 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -0.625 -12.817 -28.733 1.00 22.95 H new ATOM 0 HB3 ASP A 129 0.330 -13.508 -30.029 1.00 22.95 H new ATOM 1987 N PHE A 130 0.599 -16.982 -27.981 1.00 22.35 N ATOM 1988 CA PHE A 130 0.910 -18.342 -28.415 1.00 23.04 C ATOM 1989 C PHE A 130 -0.278 -18.982 -29.130 1.00 24.02 C ATOM 1990 O PHE A 130 -0.130 -19.533 -30.221 1.00 25.05 O ATOM 1991 CB PHE A 130 1.313 -19.203 -27.217 1.00 22.22 C ATOM 1992 CG PHE A 130 2.539 -18.708 -26.502 1.00 21.35 C ATOM 1993 CD1 PHE A 130 3.803 -18.967 -27.007 1.00 21.23 C ATOM 1994 CD2 PHE A 130 2.425 -17.987 -25.324 1.00 20.73 C ATOM 1995 CE1 PHE A 130 4.933 -18.513 -26.350 1.00 20.51 C ATOM 1996 CE2 PHE A 130 3.550 -17.532 -24.663 1.00 20.01 C ATOM 1997 CZ PHE A 130 4.805 -17.795 -25.177 1.00 19.90 C ATOM 0 H PHE A 130 0.169 -16.923 -27.058 1.00 22.35 H new ATOM 0 HA PHE A 130 1.743 -18.283 -29.116 1.00 23.04 H new ATOM 0 HB2 PHE A 130 0.482 -19.241 -26.512 1.00 22.22 H new ATOM 0 HB3 PHE A 130 1.489 -20.224 -27.557 1.00 22.22 H new ATOM 0 HD1 PHE A 130 3.907 -19.529 -27.923 1.00 21.23 H new ATOM 0 HD2 PHE A 130 1.446 -17.778 -24.918 1.00 20.73 H new ATOM 0 HE1 PHE A 130 5.913 -18.720 -26.754 1.00 20.51 H new ATOM 0 HE2 PHE A 130 3.448 -16.971 -23.746 1.00 20.01 H new ATOM 0 HZ PHE A 130 5.685 -17.440 -24.662 1.00 19.90 H new ATOM 2007 N ASP A 131 -1.453 -18.905 -28.509 1.00 23.76 N ATOM 2008 CA ASP A 131 -2.664 -19.484 -29.086 1.00 24.71 C ATOM 2009 C ASP A 131 -2.944 -18.919 -30.477 1.00 25.78 C ATOM 2010 O ASP A 131 -3.620 -19.553 -31.288 1.00 26.78 O ATOM 2011 CB ASP A 131 -3.864 -19.241 -28.167 1.00 24.21 C ATOM 2012 CG ASP A 131 -3.916 -17.820 -27.639 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -4.166 -16.898 -28.440 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -3.708 -17.634 -26.422 1.00 22.53 O ATOM 0 H ASP A 131 -1.592 -18.448 -27.608 1.00 23.76 H new ATOM 0 HA ASP A 131 -2.503 -20.558 -29.184 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -4.783 -19.456 -28.712 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -3.821 -19.935 -27.328 1.00 24.21 H new ATOM 2019 N GLY A 132 -2.419 -17.727 -30.747 1.00 25.60 N ATOM 2020 CA GLY A 132 -2.619 -17.106 -32.044 1.00 26.62 C ATOM 2021 C GLY A 132 -4.033 -16.592 -32.240 1.00 26.95 C ATOM 2022 O GLY A 132 -4.798 -17.150 -33.028 1.00 27.86 O ATOM 0 H GLY A 132 -1.860 -17.181 -30.092 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -1.918 -16.279 -32.157 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -2.389 -17.829 -32.827 1.00 26.62 H new ATOM 2026 N ASP A 133 -4.382 -15.528 -31.523 1.00 26.26 N ATOM 2027 CA ASP A 133 -5.710 -14.940 -31.626 1.00 26.58 C ATOM 2028 C ASP A 133 -5.626 -13.420 -31.730 1.00 26.27 C ATOM 2029 O ASP A 133 -6.626 -12.749 -31.987 1.00 26.65 O ATOM 2030 CB ASP A 133 -6.557 -15.337 -30.416 1.00 26.12 C ATOM 2031 CG ASP A 133 -6.083 -14.680 -29.134 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -4.865 -14.431 -29.012 1.00 24.55 O ATOM 2033 OD2 ASP A 133 -6.927 -14.415 -28.255 1.00 24.32 O ATOM 0 H ASP A 133 -3.762 -15.056 -30.865 1.00 26.26 H new ATOM 0 HA ASP A 133 -6.182 -15.320 -32.532 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -7.596 -15.063 -30.598 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -6.529 -16.420 -30.297 1.00 26.12 H new ATOM 2038 N GLY A 134 -4.425 -12.884 -31.526 1.00 25.66 N ATOM 2039 CA GLY A 134 -4.228 -11.447 -31.602 1.00 25.42 C ATOM 2040 C GLY A 134 -4.616 -10.741 -30.318 1.00 24.43 C ATOM 2041 O GLY A 134 -4.758 -9.518 -30.292 1.00 24.42 O ATOM 0 H GLY A 134 -3.585 -13.420 -31.309 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -3.182 -11.238 -31.826 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -4.817 -11.045 -32.426 1.00 25.42 H new ATOM 2045 N MET A 135 -4.783 -11.515 -29.252 1.00 23.66 N ATOM 2046 CA MET A 135 -5.160 -10.964 -27.955 1.00 22.72 C ATOM 2047 C MET A 135 -4.250 -11.501 -26.855 1.00 21.56 C ATOM 2048 O MET A 135 -3.660 -12.572 -26.998 1.00 21.55 O ATOM 2049 CB MET A 135 -6.622 -11.288 -27.644 1.00 23.01 C ATOM 2050 CG MET A 135 -7.574 -10.922 -28.771 1.00 24.25 C ATOM 2051 SD MET A 135 -9.302 -10.939 -28.258 1.00 24.43 S ATOM 2052 CE MET A 135 -9.355 -9.490 -27.207 1.00 23.79 C ATOM 0 H MET A 135 -4.663 -12.528 -29.260 1.00 23.66 H new ATOM 0 HA MET A 135 -5.044 -9.881 -27.996 1.00 22.72 H new ATOM 0 HB2 MET A 135 -6.713 -12.353 -27.433 1.00 23.01 H new ATOM 0 HB3 MET A 135 -6.920 -10.757 -26.740 1.00 23.01 H new ATOM 0 HG2 MET A 135 -7.321 -9.931 -29.147 1.00 24.25 H new ATOM 0 HG3 MET A 135 -7.438 -11.620 -29.597 1.00 24.25 H new ATOM 0 HE1 MET A 135 -10.208 -9.561 -26.532 1.00 23.79 H new ATOM 0 HE2 MET A 135 -8.436 -9.429 -26.625 1.00 23.79 H new ATOM 0 HE3 MET A 135 -9.454 -8.597 -27.824 1.00 23.79 H new ATOM 2062 N ILE A 136 -4.148 -10.757 -25.754 1.00 20.64 N ATOM 2063 CA ILE A 136 -3.293 -11.156 -24.640 1.00 19.48 C ATOM 2064 C ILE A 136 -4.104 -11.504 -23.399 1.00 18.80 C ATOM 2065 O ILE A 136 -5.043 -10.803 -23.032 1.00 18.85 O ATOM 2066 CB ILE A 136 -2.293 -10.043 -24.266 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -1.373 -9.719 -25.449 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -1.475 -10.445 -23.042 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -0.510 -10.882 -25.896 1.00 19.77 C ATOM 0 H ILE A 136 -4.645 -9.878 -25.611 1.00 20.64 H new ATOM 0 HA ILE A 136 -2.752 -12.039 -24.979 1.00 19.48 H new ATOM 0 HB ILE A 136 -2.859 -9.145 -24.020 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -1.983 -9.388 -26.290 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -0.727 -8.885 -25.176 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -0.775 -9.647 -22.794 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -2.143 -10.617 -22.198 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -0.921 -11.359 -23.258 1.00 17.71 H new ATOM 0 HD11 ILE A 136 0.111 -10.572 -26.736 1.00 19.77 H new ATOM 0 HD12 ILE A 136 0.127 -11.200 -25.071 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -1.147 -11.711 -26.203 1.00 19.77 H new ATOM 2081 N ASN A 137 -3.709 -12.594 -22.754 1.00 18.27 N ATOM 2082 CA ASN A 137 -4.357 -13.063 -21.538 1.00 17.67 C ATOM 2083 C ASN A 137 -3.362 -13.033 -20.386 1.00 16.40 C ATOM 2084 O ASN A 137 -2.156 -13.029 -20.623 1.00 16.12 O ATOM 2085 CB ASN A 137 -4.897 -14.482 -21.732 1.00 18.25 C ATOM 2086 CG ASN A 137 -5.652 -14.987 -20.517 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -6.279 -14.212 -19.794 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -5.593 -16.294 -20.286 1.00 18.49 N ATOM 0 H ASN A 137 -2.930 -13.177 -23.060 1.00 18.27 H new ATOM 0 HA ASN A 137 -5.195 -12.406 -21.307 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -5.557 -14.501 -22.599 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -4.068 -15.157 -21.947 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -6.079 -16.692 -19.483 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -5.061 -16.899 -20.912 1.00 18.49 H new ATOM 2095 N TYR A 138 -3.856 -12.981 -19.150 1.00 15.73 N ATOM 2096 CA TYR A 138 -2.985 -12.948 -17.973 1.00 14.51 C ATOM 2097 C TYR A 138 -1.771 -13.872 -18.135 1.00 14.21 C ATOM 2098 O TYR A 138 -0.719 -13.633 -17.541 1.00 13.35 O ATOM 2099 CB TYR A 138 -3.776 -13.345 -16.722 1.00 14.11 C ATOM 2100 CG TYR A 138 -2.908 -13.609 -15.512 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -2.276 -12.566 -14.847 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -2.724 -14.900 -15.031 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -1.486 -12.800 -13.737 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -1.935 -15.142 -13.922 1.00 11.56 C ATOM 2105 CZ TYR A 138 -1.304 -14.102 -13.293 1.00 10.81 C ATOM 2106 OH TYR A 138 -0.534 -14.326 -12.175 1.00 9.80 O ATOM 0 H TYR A 138 -4.853 -12.961 -18.936 1.00 15.73 H new ATOM 0 HA TYR A 138 -2.616 -11.928 -17.866 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -4.484 -12.551 -16.484 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -4.360 -14.239 -16.941 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -2.404 -11.555 -15.203 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -3.205 -15.727 -15.532 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -1.015 -11.977 -13.220 1.00 11.18 H new ATOM 0 HE2 TYR A 138 -1.816 -16.150 -13.552 1.00 11.56 H new ATOM 0 HH TYR A 138 -0.501 -15.287 -11.988 1.00 9.80 H new ATOM 2116 N GLU A 139 -1.912 -14.911 -18.953 1.00 15.05 N ATOM 2117 CA GLU A 139 -0.823 -15.858 -19.174 1.00 15.05 C ATOM 2118 C GLU A 139 0.226 -15.277 -20.118 1.00 15.40 C ATOM 2119 O GLU A 139 1.409 -15.194 -19.773 1.00 14.88 O ATOM 2120 CB GLU A 139 -1.366 -17.171 -19.742 1.00 16.02 C ATOM 2121 CG GLU A 139 -2.304 -17.902 -18.796 1.00 15.89 C ATOM 2122 CD GLU A 139 -2.851 -19.184 -19.393 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -2.175 -20.228 -19.277 1.00 16.91 O ATOM 2124 OE2 GLU A 139 -3.954 -19.144 -19.976 1.00 17.06 O ATOM 0 H GLU A 139 -2.765 -15.118 -19.472 1.00 15.05 H new ATOM 0 HA GLU A 139 -0.349 -16.054 -18.212 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -1.892 -16.964 -20.674 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -0.529 -17.825 -19.987 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -1.775 -18.133 -17.872 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -3.133 -17.245 -18.533 1.00 15.89 H new ATOM 2131 N GLU A 140 -0.210 -14.866 -21.307 1.00 16.39 N ATOM 2132 CA GLU A 140 0.703 -14.290 -22.287 1.00 16.95 C ATOM 2133 C GLU A 140 1.345 -13.036 -21.721 1.00 16.22 C ATOM 2134 O GLU A 140 2.517 -12.754 -21.972 1.00 16.37 O ATOM 2135 CB GLU A 140 -0.023 -13.937 -23.587 1.00 18.12 C ATOM 2136 CG GLU A 140 -1.237 -14.807 -23.879 1.00 18.79 C ATOM 2137 CD GLU A 140 -1.562 -14.864 -25.357 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -1.652 -13.790 -25.984 1.00 20.75 O ATOM 2139 OE2 GLU A 140 -1.720 -15.982 -25.888 1.00 20.52 O ATOM 0 H GLU A 140 -1.182 -14.921 -21.612 1.00 16.39 H new ATOM 0 HA GLU A 140 1.467 -15.036 -22.507 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -0.339 -12.895 -23.542 1.00 18.12 H new ATOM 0 HB3 GLU A 140 0.679 -14.022 -24.417 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -1.055 -15.816 -23.510 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -2.098 -14.419 -23.335 1.00 18.79 H new ATOM 2146 N PHE A 141 0.561 -12.287 -20.954 1.00 15.58 N ATOM 2147 CA PHE A 141 1.041 -11.061 -20.348 1.00 14.98 C ATOM 2148 C PHE A 141 2.193 -11.347 -19.395 1.00 14.05 C ATOM 2149 O PHE A 141 3.267 -10.774 -19.532 1.00 14.12 O ATOM 2150 CB PHE A 141 -0.087 -10.348 -19.599 1.00 14.62 C ATOM 2151 CG PHE A 141 0.360 -9.060 -18.980 1.00 14.16 C ATOM 2152 CD1 PHE A 141 0.903 -9.042 -17.709 1.00 13.21 C ATOM 2153 CD2 PHE A 141 0.207 -7.865 -19.659 1.00 14.81 C ATOM 2154 CE1 PHE A 141 1.287 -7.853 -17.124 1.00 12.98 C ATOM 2155 CE2 PHE A 141 0.593 -6.675 -19.084 1.00 14.61 C ATOM 2156 CZ PHE A 141 1.242 -6.686 -17.858 1.00 13.73 C ATOM 0 H PHE A 141 -0.411 -12.512 -20.740 1.00 15.58 H new ATOM 0 HA PHE A 141 1.398 -10.411 -21.147 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -0.908 -10.150 -20.288 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -0.475 -11.006 -18.821 1.00 14.62 H new ATOM 0 HD1 PHE A 141 1.028 -9.968 -17.168 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -0.220 -7.865 -20.651 1.00 14.81 H new ATOM 0 HE1 PHE A 141 1.621 -7.836 -16.097 1.00 12.98 H new ATOM 0 HE2 PHE A 141 0.392 -5.739 -19.584 1.00 14.61 H new ATOM 0 HZ PHE A 141 1.708 -5.788 -17.481 1.00 13.73 H new ATOM 2166 N VAL A 142 1.956 -12.229 -18.427 1.00 13.29 N ATOM 2167 CA VAL A 142 2.983 -12.593 -17.454 1.00 12.40 C ATOM 2168 C VAL A 142 4.312 -12.891 -18.143 1.00 12.96 C ATOM 2169 O VAL A 142 5.376 -12.496 -17.662 1.00 12.60 O ATOM 2170 CB VAL A 142 2.556 -13.820 -16.616 1.00 11.84 C ATOM 2171 CG1 VAL A 142 3.768 -14.523 -16.017 1.00 11.29 C ATOM 2172 CG2 VAL A 142 1.585 -13.404 -15.522 1.00 11.16 C ATOM 0 H VAL A 142 1.063 -12.704 -18.295 1.00 13.29 H new ATOM 0 HA VAL A 142 3.108 -11.738 -16.789 1.00 12.40 H new ATOM 0 HB VAL A 142 2.053 -14.524 -17.279 1.00 11.84 H new ATOM 0 HG11 VAL A 142 3.438 -15.382 -15.433 1.00 11.29 H new ATOM 0 HG12 VAL A 142 4.426 -14.860 -16.818 1.00 11.29 H new ATOM 0 HG13 VAL A 142 4.308 -13.831 -15.371 1.00 11.29 H new ATOM 0 HG21 VAL A 142 1.294 -14.279 -14.941 1.00 11.16 H new ATOM 0 HG22 VAL A 142 2.065 -12.677 -14.867 1.00 11.16 H new ATOM 0 HG23 VAL A 142 0.699 -12.957 -15.973 1.00 11.16 H new ATOM 2182 N TRP A 143 4.242 -13.582 -19.272 1.00 13.99 N ATOM 2183 CA TRP A 143 5.440 -13.940 -20.019 1.00 14.75 C ATOM 2184 C TRP A 143 6.142 -12.714 -20.609 1.00 15.22 C ATOM 2185 O TRP A 143 7.362 -12.588 -20.508 1.00 15.27 O ATOM 2186 CB TRP A 143 5.095 -14.919 -21.143 1.00 15.86 C ATOM 2187 CG TRP A 143 6.278 -15.294 -21.978 1.00 16.76 C ATOM 2188 CD1 TRP A 143 7.129 -16.345 -21.792 1.00 16.94 C ATOM 2189 CD2 TRP A 143 6.741 -14.601 -23.130 1.00 17.71 C ATOM 2190 NE1 TRP A 143 8.099 -16.340 -22.768 1.00 17.96 N ATOM 2191 CE2 TRP A 143 7.879 -15.275 -23.603 1.00 18.43 C ATOM 2192 CE3 TRP A 143 6.294 -13.469 -23.803 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 8.579 -14.846 -24.728 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 6.986 -13.041 -24.918 1.00 19.15 C ATOM 2195 CH2 TRP A 143 8.117 -13.728 -25.372 1.00 19.83 C ATOM 0 H TRP A 143 3.370 -13.906 -19.691 1.00 13.99 H new ATOM 0 HA TRP A 143 6.124 -14.412 -19.314 1.00 14.75 H new ATOM 0 HB2 TRP A 143 4.662 -15.821 -20.711 1.00 15.86 H new ATOM 0 HB3 TRP A 143 4.333 -14.475 -21.783 1.00 15.86 H new ATOM 0 HD1 TRP A 143 7.052 -17.072 -20.997 1.00 16.94 H new ATOM 0 HE1 TRP A 143 8.857 -17.017 -22.856 1.00 17.96 H new ATOM 0 HE3 TRP A 143 5.421 -12.934 -23.459 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 9.453 -15.374 -25.080 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 6.649 -12.162 -25.448 1.00 19.15 H new ATOM 0 HH2 TRP A 143 8.637 -13.370 -26.248 1.00 19.83 H new ATOM 2206 N MET A 144 5.374 -11.815 -21.220 1.00 15.69 N ATOM 2207 CA MET A 144 5.952 -10.630 -21.856 1.00 16.33 C ATOM 2208 C MET A 144 6.354 -9.550 -20.851 1.00 15.63 C ATOM 2209 O MET A 144 7.249 -8.751 -21.128 1.00 16.10 O ATOM 2210 CB MET A 144 4.995 -10.058 -22.905 1.00 17.12 C ATOM 2211 CG MET A 144 3.643 -9.619 -22.363 1.00 16.59 C ATOM 2212 SD MET A 144 2.477 -9.241 -23.686 1.00 17.69 S ATOM 2213 CE MET A 144 1.331 -8.164 -22.835 1.00 17.05 C ATOM 0 H MET A 144 4.359 -11.881 -21.289 1.00 15.69 H new ATOM 0 HA MET A 144 6.868 -10.957 -22.348 1.00 16.33 H new ATOM 0 HB2 MET A 144 5.473 -9.204 -23.385 1.00 17.12 H new ATOM 0 HB3 MET A 144 4.834 -10.810 -23.678 1.00 17.12 H new ATOM 0 HG2 MET A 144 3.232 -10.407 -21.731 1.00 16.59 H new ATOM 0 HG3 MET A 144 3.773 -8.740 -21.732 1.00 16.59 H new ATOM 0 HE1 MET A 144 0.634 -7.734 -23.554 1.00 17.05 H new ATOM 0 HE2 MET A 144 0.778 -8.737 -22.091 1.00 17.05 H new ATOM 0 HE3 MET A 144 1.882 -7.364 -22.341 1.00 17.05 H new ATOM 2223 N ILE A 145 5.706 -9.516 -19.692 1.00 14.62 N ATOM 2224 CA ILE A 145 6.039 -8.520 -18.681 1.00 14.03 C ATOM 2225 C ILE A 145 7.334 -8.896 -17.976 1.00 13.62 C ATOM 2226 O ILE A 145 8.094 -8.032 -17.542 1.00 13.74 O ATOM 2227 CB ILE A 145 4.922 -8.341 -17.635 1.00 13.14 C ATOM 2228 CG1 ILE A 145 5.344 -7.300 -16.599 1.00 12.79 C ATOM 2229 CG2 ILE A 145 4.605 -9.665 -16.962 1.00 12.26 C ATOM 2230 CD1 ILE A 145 4.197 -6.741 -15.788 1.00 12.37 C ATOM 0 H ILE A 145 4.957 -10.157 -19.431 1.00 14.62 H new ATOM 0 HA ILE A 145 6.158 -7.571 -19.204 1.00 14.03 H new ATOM 0 HB ILE A 145 4.020 -7.992 -18.138 1.00 13.14 H new ATOM 0 HG12 ILE A 145 6.070 -7.750 -15.921 1.00 12.79 H new ATOM 0 HG13 ILE A 145 5.850 -6.480 -17.108 1.00 12.79 H new ATOM 0 HG21 ILE A 145 3.814 -9.519 -16.226 1.00 12.26 H new ATOM 0 HG22 ILE A 145 4.275 -10.384 -17.712 1.00 12.26 H new ATOM 0 HG23 ILE A 145 5.498 -10.043 -16.464 1.00 12.26 H new ATOM 0 HD11 ILE A 145 4.578 -6.009 -15.075 1.00 12.37 H new ATOM 0 HD12 ILE A 145 3.481 -6.260 -16.454 1.00 12.37 H new ATOM 0 HD13 ILE A 145 3.704 -7.550 -15.249 1.00 12.37 H new ATOM 2242 N SER A 146 7.582 -10.195 -17.862 1.00 13.30 N ATOM 2243 CA SER A 146 8.799 -10.679 -17.233 1.00 13.04 C ATOM 2244 C SER A 146 10.005 -10.242 -18.055 1.00 14.17 C ATOM 2245 O SER A 146 11.146 -10.299 -17.595 1.00 14.26 O ATOM 2246 CB SER A 146 8.764 -12.203 -17.100 1.00 12.74 C ATOM 2247 OG SER A 146 7.757 -12.612 -16.191 1.00 12.48 O ATOM 0 H SER A 146 6.957 -10.928 -18.197 1.00 13.30 H new ATOM 0 HA SER A 146 8.877 -10.254 -16.232 1.00 13.04 H new ATOM 0 HB2 SER A 146 8.582 -12.652 -18.076 1.00 12.74 H new ATOM 0 HB3 SER A 146 9.734 -12.564 -16.759 1.00 12.74 H new ATOM 0 HG SER A 146 6.885 -12.595 -16.639 1.00 12.48 H new ATOM 2253 N GLN A 147 9.731 -9.803 -19.281 1.00 15.13 N ATOM 2254 CA GLN A 147 10.769 -9.344 -20.193 1.00 16.31 C ATOM 2255 C GLN A 147 10.953 -7.831 -20.089 1.00 16.62 C ATOM 2256 O GLN A 147 12.003 -7.353 -19.660 1.00 17.39 O ATOM 2257 CB GLN A 147 10.401 -9.724 -21.628 1.00 17.27 C ATOM 2258 CG GLN A 147 9.720 -11.077 -21.739 1.00 17.07 C ATOM 2259 CD GLN A 147 10.639 -12.225 -21.371 1.00 17.24 C ATOM 2260 OE1 GLN A 147 10.614 -12.620 -20.102 1.00 17.61 O flip ATOM 2261 NE2 GLN A 147 11.359 -12.756 -22.215 1.00 17.09 N flip ATOM 0 H GLN A 147 8.788 -9.756 -19.666 1.00 15.13 H new ATOM 0 HA GLN A 147 11.708 -9.825 -19.918 1.00 16.31 H new ATOM 0 HB2 GLN A 147 9.743 -8.960 -22.041 1.00 17.27 H new ATOM 0 HB3 GLN A 147 11.305 -9.729 -22.237 1.00 17.27 H new ATOM 0 HG2 GLN A 147 8.846 -11.094 -21.088 1.00 17.07 H new ATOM 0 HG3 GLN A 147 9.361 -11.216 -22.759 1.00 17.07 H new ATOM 0 HE21 GLN A 147 11.347 -12.422 -23.179 1.00 17.09 H new ATOM 0 HE22 GLN A 147 11.968 -13.531 -21.951 1.00 17.09 H new ATOM 2270 N LYS A 148 9.918 -7.085 -20.482 1.00 16.13 N ATOM 2271 CA LYS A 148 9.952 -5.623 -20.444 1.00 16.53 C ATOM 2272 C LYS A 148 11.205 -5.082 -21.128 1.00 16.32 C ATOM 2273 O LYS A 148 11.171 -4.899 -22.362 1.00 16.11 O ATOM 2274 CB LYS A 148 9.883 -5.119 -18.999 1.00 16.16 C ATOM 2275 CG LYS A 148 8.490 -5.193 -18.390 1.00 16.47 C ATOM 2276 CD LYS A 148 7.543 -4.178 -19.017 1.00 16.26 C ATOM 2277 CE LYS A 148 6.161 -4.246 -18.389 1.00 16.41 C ATOM 2278 NZ LYS A 148 6.206 -4.036 -16.915 1.00 16.72 N ATOM 2279 OXT LYS A 148 12.208 -4.843 -20.421 1.00 16.50 O ATOM 0 H LYS A 148 9.042 -7.473 -20.832 1.00 16.13 H new ATOM 0 HA LYS A 148 9.081 -5.257 -20.987 1.00 16.53 H new ATOM 0 HB2 LYS A 148 10.569 -5.704 -18.387 1.00 16.16 H new ATOM 0 HB3 LYS A 148 10.229 -4.086 -18.967 1.00 16.16 H new ATOM 0 HG2 LYS A 148 8.087 -6.197 -18.525 1.00 16.47 H new ATOM 0 HG3 LYS A 148 8.553 -5.016 -17.316 1.00 16.47 H new ATOM 0 HD2 LYS A 148 7.951 -3.174 -18.895 1.00 16.26 H new ATOM 0 HD3 LYS A 148 7.467 -4.363 -20.088 1.00 16.26 H new ATOM 0 HE2 LYS A 148 5.519 -3.491 -18.843 1.00 16.41 H new ATOM 0 HE3 LYS A 148 5.713 -5.216 -18.603 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 5.238 -3.938 -16.549 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 6.667 -4.851 -16.462 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 6.745 -3.172 -16.704 1.00 16.72 H new