USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 MET CE :methyl -173:sc= -0.761 (180deg=-1.15) USER MOD Set 1.2: A 43 MET CE :methyl -152:sc= -0.0632 (180deg=-0.0183) USER MOD Set 2.1: A 30 SER OG : rot -70:sc= 0.976 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot -110:sc= 0.367 USER MOD Set 3.2: A 88 SER OG : rot -155:sc= 0.541 USER MOD Single : A 4 GLN : amide:sc= -0.782 K(o=-0.78,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 1.66 (180deg=-0.295) USER MOD Single : A 12 SER OG : rot -22:sc= 0.391 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 15:sc= 1.1 USER MOD Single : A 33 ASN : amide:sc= 0.846 K(o=0.85,f=-0.29) USER MOD Single : A 36 HIS : no HE2:sc= 0.105 K(o=0.1,f=-7!) USER MOD Single : A 38 MET CE :methyl -175:sc= -2.51! (180deg=-2.52) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 0.118 (180deg=0) USER MOD Single : A 59 SER OG : rot -13:sc= 0.358 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 89:sc= 1.82 USER MOD Single : A 71 GLN : amide:sc= -1.16! C(o=-1.2!,f=-5.2!) USER MOD Single : A 72 THR OG1 : rot 77:sc= 2.18 USER MOD Single : A 73 SER OG : rot 58:sc= 0.43 USER MOD Single : A 74 GLN : amide:sc= -0.619 K(o=-0.62,f=0) USER MOD Single : A 77 ASN : amide:sc=-0.00327 K(o=-0.0033,f=-0.78) USER MOD Single : A 81 SER OG : rot 6:sc= -0.266 USER MOD Single : A 86 HIS : no HE2:sc= -1.65! C(o=-1.6!,f=-2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.494 0.165 11.467 1.00 42.32 N ATOM 50 CA GLN A 4 5.019 -0.661 10.374 1.00 31.45 C ATOM 51 C GLN A 4 4.422 -2.075 10.409 1.00 44.23 C ATOM 52 O GLN A 4 4.408 -2.733 11.454 1.00 51.22 O ATOM 53 CB GLN A 4 6.549 -0.745 10.466 1.00 43.55 C ATOM 54 CG GLN A 4 7.239 0.614 10.560 1.00 34.25 C ATOM 55 CD GLN A 4 8.751 0.514 10.680 1.00 40.42 C ATOM 56 OE1 GLN A 4 9.390 1.351 11.307 1.00 42.23 O ATOM 57 NE2 GLN A 4 9.338 -0.478 10.051 1.00 4.23 N ATOM 0 HA GLN A 4 4.735 -0.191 9.432 1.00 31.45 H new ATOM 0 HB2 GLN A 4 6.819 -1.339 11.339 1.00 43.55 H new ATOM 0 HB3 GLN A 4 6.927 -1.274 9.591 1.00 43.55 H new ATOM 0 HG2 GLN A 4 6.990 1.202 9.677 1.00 34.25 H new ATOM 0 HG3 GLN A 4 6.848 1.153 11.423 1.00 34.25 H new ATOM 0 HE21 GLN A 4 8.778 -1.159 9.538 1.00 4.23 H new ATOM 0 HE22 GLN A 4 10.354 -0.568 10.076 1.00 4.23 H new ATOM 66 N SER A 5 3.940 -2.541 9.262 1.00 0.44 N ATOM 67 CA SER A 5 3.355 -3.884 9.149 1.00 11.34 C ATOM 68 C SER A 5 4.125 -4.747 8.145 1.00 15.01 C ATOM 69 O SER A 5 4.475 -4.291 7.063 1.00 42.12 O ATOM 70 CB SER A 5 1.886 -3.791 8.722 1.00 33.34 C ATOM 71 OG SER A 5 1.110 -3.119 9.698 1.00 73.14 O ATOM 0 H SER A 5 3.940 -2.011 8.391 1.00 0.44 H new ATOM 0 HA SER A 5 3.421 -4.355 10.130 1.00 11.34 H new ATOM 0 HB2 SER A 5 1.814 -3.264 7.770 1.00 33.34 H new ATOM 0 HB3 SER A 5 1.487 -4.793 8.563 1.00 33.34 H new ATOM 0 HG SER A 5 0.510 -3.758 10.136 1.00 73.14 H new ATOM 77 N ASP A 6 4.389 -5.994 8.516 1.00 64.41 N ATOM 78 CA ASP A 6 5.077 -6.936 7.629 1.00 22.21 C ATOM 79 C ASP A 6 4.111 -7.479 6.557 1.00 61.33 C ATOM 80 O ASP A 6 2.911 -7.625 6.811 1.00 35.31 O ATOM 81 CB ASP A 6 5.659 -8.086 8.462 1.00 2.33 C ATOM 82 CG ASP A 6 6.553 -9.012 7.657 1.00 60.03 C ATOM 83 OD1 ASP A 6 6.030 -9.971 7.055 1.00 73.33 O ATOM 84 OD2 ASP A 6 7.780 -8.786 7.631 1.00 34.33 O ATOM 0 H ASP A 6 4.138 -6.381 9.426 1.00 64.41 H new ATOM 0 HA ASP A 6 5.887 -6.417 7.117 1.00 22.21 H new ATOM 0 HB2 ASP A 6 6.230 -7.672 9.293 1.00 2.33 H new ATOM 0 HB3 ASP A 6 4.842 -8.664 8.893 1.00 2.33 H new ATOM 89 N ALA A 7 4.635 -7.774 5.365 1.00 33.34 N ATOM 90 CA ALA A 7 3.815 -8.285 4.255 1.00 33.13 C ATOM 91 C ALA A 7 2.982 -9.507 4.675 1.00 63.10 C ATOM 92 O ALA A 7 1.794 -9.602 4.366 1.00 20.21 O ATOM 93 CB ALA A 7 4.698 -8.625 3.057 1.00 72.13 C ATOM 0 H ALA A 7 5.624 -7.669 5.140 1.00 33.34 H new ATOM 0 HA ALA A 7 3.117 -7.497 3.970 1.00 33.13 H new ATOM 0 HB1 ALA A 7 4.078 -9.002 2.243 1.00 72.13 H new ATOM 0 HB2 ALA A 7 5.224 -7.729 2.727 1.00 72.13 H new ATOM 0 HB3 ALA A 7 5.423 -9.387 3.344 1.00 72.13 H new ATOM 99 N HIS A 8 3.610 -10.425 5.404 1.00 64.11 N ATOM 100 CA HIS A 8 2.933 -11.622 5.907 1.00 22.55 C ATOM 101 C HIS A 8 1.770 -11.268 6.848 1.00 14.10 C ATOM 102 O HIS A 8 0.740 -11.944 6.868 1.00 31.42 O ATOM 103 CB HIS A 8 3.962 -12.523 6.602 1.00 73.31 C ATOM 104 CG HIS A 8 3.380 -13.480 7.586 1.00 41.32 C ATOM 105 ND1 HIS A 8 2.857 -14.701 7.241 1.00 20.24 N ATOM 106 CD2 HIS A 8 3.250 -13.382 8.923 1.00 44.35 C ATOM 107 CE1 HIS A 8 2.427 -15.314 8.321 1.00 34.22 C ATOM 108 NE2 HIS A 8 2.653 -14.537 9.361 1.00 0.10 N ATOM 0 H HIS A 8 4.595 -10.364 5.663 1.00 64.11 H new ATOM 0 HA HIS A 8 2.494 -12.159 5.066 1.00 22.55 H new ATOM 0 HB2 HIS A 8 4.504 -13.087 5.843 1.00 73.31 H new ATOM 0 HB3 HIS A 8 4.691 -11.894 7.113 1.00 73.31 H new ATOM 0 HD2 HIS A 8 3.559 -12.549 9.537 1.00 44.35 H new ATOM 0 HE1 HIS A 8 1.966 -16.290 8.351 1.00 34.22 H new ATOM 0 HE2 HIS A 8 2.423 -14.757 10.330 1.00 0.10 H new ATOM 117 N VAL A 9 1.938 -10.201 7.614 1.00 62.30 N ATOM 118 CA VAL A 9 0.910 -9.756 8.558 1.00 14.22 C ATOM 119 C VAL A 9 -0.289 -9.130 7.820 1.00 23.24 C ATOM 120 O VAL A 9 -1.446 -9.304 8.217 1.00 33.23 O ATOM 121 CB VAL A 9 1.513 -8.755 9.577 1.00 40.32 C ATOM 122 CG1 VAL A 9 0.452 -8.229 10.538 1.00 3.11 C ATOM 123 CG2 VAL A 9 2.662 -9.414 10.344 1.00 71.32 C ATOM 0 H VAL A 9 2.778 -9.622 7.604 1.00 62.30 H new ATOM 0 HA VAL A 9 0.546 -10.628 9.101 1.00 14.22 H new ATOM 0 HB VAL A 9 1.903 -7.901 9.023 1.00 40.32 H new ATOM 0 HG11 VAL A 9 0.910 -7.530 11.238 1.00 3.11 H new ATOM 0 HG12 VAL A 9 -0.329 -7.719 9.974 1.00 3.11 H new ATOM 0 HG13 VAL A 9 0.016 -9.062 11.090 1.00 3.11 H new ATOM 0 HG21 VAL A 9 3.079 -8.703 11.057 1.00 71.32 H new ATOM 0 HG22 VAL A 9 2.289 -10.287 10.879 1.00 71.32 H new ATOM 0 HG23 VAL A 9 3.438 -9.722 9.643 1.00 71.32 H new ATOM 133 N LEU A 10 -0.006 -8.416 6.733 1.00 11.11 N ATOM 134 CA LEU A 10 -1.062 -7.859 5.879 1.00 31.21 C ATOM 135 C LEU A 10 -1.810 -8.976 5.129 1.00 75.10 C ATOM 136 O LEU A 10 -3.038 -8.952 5.019 1.00 2.41 O ATOM 137 CB LEU A 10 -0.469 -6.855 4.878 1.00 74.22 C ATOM 138 CG LEU A 10 -1.483 -6.190 3.927 1.00 71.42 C ATOM 139 CD1 LEU A 10 -2.555 -5.442 4.711 1.00 65.04 C ATOM 140 CD2 LEU A 10 -0.773 -5.253 2.948 1.00 42.23 C ATOM 0 H LEU A 10 0.942 -8.208 6.420 1.00 11.11 H new ATOM 0 HA LEU A 10 -1.775 -7.339 6.520 1.00 31.21 H new ATOM 0 HB2 LEU A 10 0.046 -6.073 5.436 1.00 74.22 H new ATOM 0 HB3 LEU A 10 0.283 -7.367 4.278 1.00 74.22 H new ATOM 0 HG LEU A 10 -1.973 -6.976 3.352 1.00 71.42 H new ATOM 0 HD11 LEU A 10 -3.258 -4.982 4.017 1.00 65.04 H new ATOM 0 HD12 LEU A 10 -3.087 -6.140 5.357 1.00 65.04 H new ATOM 0 HD13 LEU A 10 -2.087 -4.669 5.320 1.00 65.04 H new ATOM 0 HD21 LEU A 10 -1.507 -4.794 2.286 1.00 42.23 H new ATOM 0 HD22 LEU A 10 -0.249 -4.475 3.504 1.00 42.23 H new ATOM 0 HD23 LEU A 10 -0.056 -5.821 2.356 1.00 42.23 H new ATOM 152 N LYS A 11 -1.059 -9.960 4.629 1.00 35.41 N ATOM 153 CA LYS A 11 -1.644 -11.103 3.919 1.00 1.02 C ATOM 154 C LYS A 11 -2.649 -11.852 4.802 1.00 41.32 C ATOM 155 O LYS A 11 -3.765 -12.160 4.372 1.00 61.12 O ATOM 156 CB LYS A 11 -0.545 -12.069 3.453 1.00 65.04 C ATOM 157 CG LYS A 11 -1.072 -13.233 2.619 1.00 31.42 C ATOM 158 CD LYS A 11 -0.011 -14.305 2.372 1.00 35.12 C ATOM 159 CE LYS A 11 -0.620 -15.566 1.766 1.00 71.55 C ATOM 160 NZ LYS A 11 0.354 -16.691 1.702 1.00 73.32 N ATOM 0 H LYS A 11 -0.042 -9.989 4.702 1.00 35.41 H new ATOM 0 HA LYS A 11 -2.172 -10.713 3.049 1.00 1.02 H new ATOM 0 HB2 LYS A 11 0.190 -11.516 2.868 1.00 65.04 H new ATOM 0 HB3 LYS A 11 -0.025 -12.464 4.326 1.00 65.04 H new ATOM 0 HG2 LYS A 11 -1.926 -13.682 3.127 1.00 31.42 H new ATOM 0 HG3 LYS A 11 -1.432 -12.856 1.662 1.00 31.42 H new ATOM 0 HD2 LYS A 11 0.755 -13.913 1.704 1.00 35.12 H new ATOM 0 HD3 LYS A 11 0.482 -14.553 3.312 1.00 35.12 H new ATOM 0 HE2 LYS A 11 -1.484 -15.870 2.357 1.00 71.55 H new ATOM 0 HE3 LYS A 11 -0.983 -15.345 0.762 1.00 71.55 H new ATOM 0 HZ1 LYS A 11 0.342 -17.107 0.749 1.00 73.32 H new ATOM 0 HZ2 LYS A 11 1.309 -16.336 1.913 1.00 73.32 H new ATOM 0 HZ3 LYS A 11 0.092 -17.417 2.399 1.00 73.32 H new ATOM 174 N SER A 12 -2.256 -12.124 6.047 1.00 75.43 N ATOM 175 CA SER A 12 -3.126 -12.840 6.983 1.00 50.22 C ATOM 176 C SER A 12 -4.353 -11.998 7.327 1.00 61.02 C ATOM 177 O SER A 12 -5.420 -12.527 7.601 1.00 22.21 O ATOM 178 CB SER A 12 -2.373 -13.215 8.265 1.00 73.25 C ATOM 179 OG SER A 12 -1.974 -12.064 8.993 1.00 12.11 O ATOM 0 H SER A 12 -1.348 -11.862 6.430 1.00 75.43 H new ATOM 0 HA SER A 12 -3.451 -13.759 6.495 1.00 50.22 H new ATOM 0 HB2 SER A 12 -3.009 -13.840 8.892 1.00 73.25 H new ATOM 0 HB3 SER A 12 -1.494 -13.808 8.011 1.00 73.25 H new ATOM 0 HG SER A 12 -1.940 -11.291 8.391 1.00 12.11 H new ATOM 185 N ARG A 13 -4.201 -10.682 7.315 1.00 61.22 N ATOM 186 CA ARG A 13 -5.333 -9.785 7.547 1.00 1.44 C ATOM 187 C ARG A 13 -6.308 -9.739 6.354 1.00 63.21 C ATOM 188 O ARG A 13 -7.513 -9.582 6.546 1.00 31.32 O ATOM 189 CB ARG A 13 -4.830 -8.387 7.903 1.00 43.14 C ATOM 190 CG ARG A 13 -4.272 -8.307 9.315 1.00 24.42 C ATOM 191 CD ARG A 13 -3.726 -6.921 9.652 1.00 22.45 C ATOM 192 NE ARG A 13 -3.717 -6.663 11.093 1.00 22.42 N ATOM 193 CZ ARG A 13 -3.063 -7.366 11.980 1.00 33.34 C ATOM 194 NH1 ARG A 13 -2.349 -8.389 11.635 1.00 23.13 N ATOM 195 NH2 ARG A 13 -3.132 -7.042 13.227 1.00 12.32 N ATOM 0 H ARG A 13 -3.312 -10.210 7.149 1.00 61.22 H new ATOM 0 HA ARG A 13 -5.899 -10.184 8.389 1.00 1.44 H new ATOM 0 HB2 ARG A 13 -4.057 -8.092 7.194 1.00 43.14 H new ATOM 0 HB3 ARG A 13 -5.647 -7.674 7.799 1.00 43.14 H new ATOM 0 HG2 ARG A 13 -5.055 -8.568 10.027 1.00 24.42 H new ATOM 0 HG3 ARG A 13 -3.478 -9.044 9.430 1.00 24.42 H new ATOM 0 HD2 ARG A 13 -2.712 -6.827 9.262 1.00 22.45 H new ATOM 0 HD3 ARG A 13 -4.331 -6.164 9.153 1.00 22.45 H new ATOM 0 HE ARG A 13 -4.265 -5.872 11.432 1.00 22.42 H new ATOM 0 HH11 ARG A 13 -2.288 -8.661 10.654 1.00 23.13 H new ATOM 0 HH12 ARG A 13 -1.847 -8.923 12.344 1.00 23.13 H new ATOM 0 HH21 ARG A 13 -3.694 -6.242 13.516 1.00 12.32 H new ATOM 0 HH22 ARG A 13 -2.624 -7.586 13.924 1.00 12.32 H new ATOM 209 N LEU A 14 -5.801 -9.878 5.126 1.00 55.35 N ATOM 210 CA LEU A 14 -6.680 -9.956 3.947 1.00 1.21 C ATOM 211 C LEU A 14 -7.498 -11.258 3.939 1.00 24.53 C ATOM 212 O LEU A 14 -8.722 -11.236 3.789 1.00 75.21 O ATOM 213 CB LEU A 14 -5.875 -9.849 2.636 1.00 5.22 C ATOM 214 CG LEU A 14 -5.576 -8.422 2.144 1.00 34.15 C ATOM 215 CD1 LEU A 14 -4.842 -8.464 0.804 1.00 70.25 C ATOM 216 CD2 LEU A 14 -6.873 -7.620 2.022 1.00 1.24 C ATOM 0 H LEU A 14 -4.804 -9.938 4.919 1.00 55.35 H new ATOM 0 HA LEU A 14 -7.365 -9.111 4.011 1.00 1.21 H new ATOM 0 HB2 LEU A 14 -4.928 -10.372 2.770 1.00 5.22 H new ATOM 0 HB3 LEU A 14 -6.421 -10.375 1.853 1.00 5.22 H new ATOM 0 HG LEU A 14 -4.933 -7.929 2.873 1.00 34.15 H new ATOM 0 HD11 LEU A 14 -4.638 -7.447 0.469 1.00 70.25 H new ATOM 0 HD12 LEU A 14 -3.902 -9.003 0.921 1.00 70.25 H new ATOM 0 HD13 LEU A 14 -5.462 -8.971 0.065 1.00 70.25 H new ATOM 0 HD21 LEU A 14 -6.646 -6.613 1.673 1.00 1.24 H new ATOM 0 HD22 LEU A 14 -7.538 -8.110 1.310 1.00 1.24 H new ATOM 0 HD23 LEU A 14 -7.360 -7.566 2.996 1.00 1.24 H new ATOM 228 N GLU A 15 -6.810 -12.388 4.097 1.00 35.11 N ATOM 229 CA GLU A 15 -7.453 -13.708 4.027 1.00 63.32 C ATOM 230 C GLU A 15 -8.097 -14.120 5.366 1.00 11.43 C ATOM 231 O GLU A 15 -9.188 -14.690 5.390 1.00 42.13 O ATOM 232 CB GLU A 15 -6.419 -14.769 3.614 1.00 10.13 C ATOM 233 CG GLU A 15 -5.697 -14.466 2.303 1.00 5.11 C ATOM 234 CD GLU A 15 -4.612 -15.486 1.984 1.00 73.33 C ATOM 235 OE1 GLU A 15 -3.614 -15.546 2.733 1.00 35.24 O ATOM 236 OE2 GLU A 15 -4.757 -16.241 0.999 1.00 63.15 O ATOM 0 H GLU A 15 -5.806 -12.420 4.275 1.00 35.11 H new ATOM 0 HA GLU A 15 -8.247 -13.640 3.284 1.00 63.32 H new ATOM 0 HB2 GLU A 15 -5.679 -14.867 4.408 1.00 10.13 H new ATOM 0 HB3 GLU A 15 -6.920 -15.733 3.525 1.00 10.13 H new ATOM 0 HG2 GLU A 15 -6.422 -14.445 1.489 1.00 5.11 H new ATOM 0 HG3 GLU A 15 -5.252 -13.473 2.359 1.00 5.11 H new ATOM 243 N TRP A 16 -7.418 -13.823 6.473 1.00 43.43 N ATOM 244 CA TRP A 16 -7.823 -14.327 7.800 1.00 15.22 C ATOM 245 C TRP A 16 -8.247 -13.205 8.773 1.00 71.02 C ATOM 246 O TRP A 16 -8.647 -13.488 9.903 1.00 32.44 O ATOM 247 CB TRP A 16 -6.657 -15.107 8.434 1.00 71.13 C ATOM 248 CG TRP A 16 -6.128 -16.226 7.584 1.00 53.01 C ATOM 249 CD1 TRP A 16 -5.270 -16.118 6.530 1.00 70.44 C ATOM 250 CD2 TRP A 16 -6.407 -17.620 7.732 1.00 54.40 C ATOM 251 NE1 TRP A 16 -5.015 -17.357 5.999 1.00 71.33 N ATOM 252 CE2 TRP A 16 -5.698 -18.298 6.723 1.00 32.23 C ATOM 253 CE3 TRP A 16 -7.190 -18.358 8.618 1.00 23.31 C ATOM 254 CZ2 TRP A 16 -5.750 -19.680 6.578 1.00 74.22 C ATOM 255 CZ3 TRP A 16 -7.243 -19.730 8.474 1.00 51.32 C ATOM 256 CH2 TRP A 16 -6.527 -20.380 7.460 1.00 72.54 C ATOM 0 H TRP A 16 -6.584 -13.236 6.485 1.00 43.43 H new ATOM 0 HA TRP A 16 -8.689 -14.969 7.637 1.00 15.22 H new ATOM 0 HB2 TRP A 16 -5.844 -14.413 8.647 1.00 71.13 H new ATOM 0 HB3 TRP A 16 -6.986 -15.516 9.389 1.00 71.13 H new ATOM 0 HD1 TRP A 16 -4.852 -15.191 6.166 1.00 70.44 H new ATOM 0 HE1 TRP A 16 -4.415 -17.546 5.196 1.00 71.33 H new ATOM 0 HE3 TRP A 16 -7.745 -17.866 9.403 1.00 23.31 H new ATOM 0 HZ2 TRP A 16 -5.197 -20.182 5.798 1.00 74.22 H new ATOM 0 HZ3 TRP A 16 -7.847 -20.312 9.154 1.00 51.32 H new ATOM 0 HH2 TRP A 16 -6.590 -21.455 7.373 1.00 72.54 H new ATOM 267 N GLY A 17 -8.143 -11.944 8.355 1.00 34.44 N ATOM 268 CA GLY A 17 -8.407 -10.829 9.271 1.00 64.22 C ATOM 269 C GLY A 17 -9.691 -10.048 8.976 1.00 62.01 C ATOM 270 O GLY A 17 -10.765 -10.628 8.809 1.00 52.35 O ATOM 0 H GLY A 17 -7.883 -11.669 7.408 1.00 34.44 H new ATOM 0 HA2 GLY A 17 -8.460 -11.217 10.288 1.00 64.22 H new ATOM 0 HA3 GLY A 17 -7.563 -10.140 9.236 1.00 64.22 H new ATOM 274 N GLU A 18 -9.570 -8.723 8.928 1.00 14.34 N ATOM 275 CA GLU A 18 -10.720 -7.824 8.751 1.00 61.12 C ATOM 276 C GLU A 18 -10.485 -6.869 7.567 1.00 73.13 C ATOM 277 O GLU A 18 -9.458 -6.198 7.504 1.00 73.33 O ATOM 278 CB GLU A 18 -10.939 -7.017 10.044 1.00 52.01 C ATOM 279 CG GLU A 18 -12.059 -5.976 9.974 1.00 54.03 C ATOM 280 CD GLU A 18 -13.455 -6.579 9.917 1.00 30.10 C ATOM 281 OE1 GLU A 18 -13.702 -7.583 10.612 1.00 32.30 O ATOM 282 OE2 GLU A 18 -14.320 -6.033 9.195 1.00 23.02 O ATOM 0 H GLU A 18 -8.676 -8.238 9.010 1.00 14.34 H new ATOM 0 HA GLU A 18 -11.607 -8.421 8.537 1.00 61.12 H new ATOM 0 HB2 GLU A 18 -11.159 -7.711 10.855 1.00 52.01 H new ATOM 0 HB3 GLU A 18 -10.008 -6.511 10.301 1.00 52.01 H new ATOM 0 HG2 GLU A 18 -11.991 -5.323 10.844 1.00 54.03 H new ATOM 0 HG3 GLU A 18 -11.907 -5.351 9.094 1.00 54.03 H new ATOM 289 N PRO A 19 -11.444 -6.768 6.624 1.00 24.03 N ATOM 290 CA PRO A 19 -11.293 -5.925 5.424 1.00 21.30 C ATOM 291 C PRO A 19 -11.582 -4.434 5.692 1.00 0.51 C ATOM 292 O PRO A 19 -11.969 -3.691 4.785 1.00 61.11 O ATOM 293 CB PRO A 19 -12.324 -6.528 4.466 1.00 41.13 C ATOM 294 CG PRO A 19 -13.409 -7.047 5.353 1.00 25.12 C ATOM 295 CD PRO A 19 -12.751 -7.453 6.653 1.00 14.11 C ATOM 0 HA PRO A 19 -10.273 -5.926 5.040 1.00 21.30 H new ATOM 0 HB2 PRO A 19 -12.705 -5.779 3.772 1.00 41.13 H new ATOM 0 HB3 PRO A 19 -11.887 -7.326 3.866 1.00 41.13 H new ATOM 0 HG2 PRO A 19 -14.167 -6.283 5.525 1.00 25.12 H new ATOM 0 HG3 PRO A 19 -13.912 -7.897 4.892 1.00 25.12 H new ATOM 0 HD2 PRO A 19 -13.344 -7.144 7.514 1.00 14.11 H new ATOM 0 HD3 PRO A 19 -12.633 -8.535 6.719 1.00 14.11 H new ATOM 303 N ALA A 20 -11.356 -3.995 6.930 1.00 55.52 N ATOM 304 CA ALA A 20 -11.597 -2.600 7.320 1.00 14.20 C ATOM 305 C ALA A 20 -10.455 -1.675 6.879 1.00 31.24 C ATOM 306 O ALA A 20 -10.508 -0.464 7.090 1.00 4.04 O ATOM 307 CB ALA A 20 -11.791 -2.503 8.829 1.00 31.43 C ATOM 0 H ALA A 20 -11.005 -4.585 7.684 1.00 55.52 H new ATOM 0 HA ALA A 20 -12.504 -2.271 6.813 1.00 14.20 H new ATOM 0 HB1 ALA A 20 -11.969 -1.464 9.107 1.00 31.43 H new ATOM 0 HB2 ALA A 20 -12.647 -3.110 9.126 1.00 31.43 H new ATOM 0 HB3 ALA A 20 -10.896 -2.866 9.335 1.00 31.43 H new ATOM 313 N PHE A 21 -9.422 -2.245 6.265 1.00 10.24 N ATOM 314 CA PHE A 21 -8.266 -1.464 5.810 1.00 62.00 C ATOM 315 C PHE A 21 -8.174 -1.415 4.277 1.00 34.33 C ATOM 316 O PHE A 21 -8.640 -2.320 3.585 1.00 14.44 O ATOM 317 CB PHE A 21 -6.967 -2.035 6.406 1.00 0.32 C ATOM 318 CG PHE A 21 -6.701 -3.487 6.068 1.00 73.10 C ATOM 319 CD1 PHE A 21 -6.246 -3.853 4.808 1.00 65.23 C ATOM 320 CD2 PHE A 21 -6.906 -4.487 7.012 1.00 65.41 C ATOM 321 CE1 PHE A 21 -6.004 -5.175 4.497 1.00 40.10 C ATOM 322 CE2 PHE A 21 -6.664 -5.810 6.701 1.00 25.01 C ATOM 323 CZ PHE A 21 -6.215 -6.155 5.444 1.00 1.04 C ATOM 0 H PHE A 21 -9.358 -3.244 6.069 1.00 10.24 H new ATOM 0 HA PHE A 21 -8.402 -0.442 6.162 1.00 62.00 H new ATOM 0 HB2 PHE A 21 -6.128 -1.435 6.055 1.00 0.32 H new ATOM 0 HB3 PHE A 21 -7.003 -1.929 7.490 1.00 0.32 H new ATOM 0 HD1 PHE A 21 -6.079 -3.091 4.061 1.00 65.23 H new ATOM 0 HD2 PHE A 21 -7.258 -4.226 7.999 1.00 65.41 H new ATOM 0 HE1 PHE A 21 -5.650 -5.442 3.512 1.00 40.10 H new ATOM 0 HE2 PHE A 21 -6.827 -6.577 7.444 1.00 25.01 H new ATOM 0 HZ PHE A 21 -6.029 -7.191 5.201 1.00 1.04 H new ATOM 333 N THR A 22 -7.578 -0.345 3.755 1.00 54.14 N ATOM 334 CA THR A 22 -7.338 -0.216 2.308 1.00 10.42 C ATOM 335 C THR A 22 -5.851 -0.379 1.968 1.00 2.52 C ATOM 336 O THR A 22 -4.988 0.102 2.695 1.00 14.21 O ATOM 337 CB THR A 22 -7.816 1.157 1.770 1.00 61.54 C ATOM 338 OG1 THR A 22 -7.718 1.186 0.337 1.00 61.15 O ATOM 339 CG2 THR A 22 -7.003 2.309 2.353 1.00 22.10 C ATOM 0 H THR A 22 -7.250 0.448 4.307 1.00 54.14 H new ATOM 0 HA THR A 22 -7.911 -1.012 1.832 1.00 10.42 H new ATOM 0 HB THR A 22 -8.854 1.283 2.076 1.00 61.54 H new ATOM 0 HG1 THR A 22 -8.024 2.056 0.006 1.00 61.15 H new ATOM 0 HG21 THR A 22 -7.370 3.253 1.951 1.00 22.10 H new ATOM 0 HG22 THR A 22 -7.104 2.313 3.438 1.00 22.10 H new ATOM 0 HG23 THR A 22 -5.953 2.185 2.087 1.00 22.10 H new ATOM 347 N ILE A 23 -5.553 -1.057 0.861 1.00 54.20 N ATOM 348 CA ILE A 23 -4.166 -1.204 0.401 1.00 75.04 C ATOM 349 C ILE A 23 -3.867 -0.191 -0.715 1.00 13.34 C ATOM 350 O ILE A 23 -4.574 -0.139 -1.719 1.00 71.41 O ATOM 351 CB ILE A 23 -3.861 -2.641 -0.119 1.00 62.33 C ATOM 352 CG1 ILE A 23 -4.134 -3.705 0.969 1.00 61.13 C ATOM 353 CG2 ILE A 23 -2.414 -2.736 -0.612 1.00 1.43 C ATOM 354 CD1 ILE A 23 -5.605 -3.996 1.201 1.00 15.11 C ATOM 0 H ILE A 23 -6.246 -1.512 0.267 1.00 54.20 H new ATOM 0 HA ILE A 23 -3.526 -1.016 1.263 1.00 75.04 H new ATOM 0 HB ILE A 23 -4.530 -2.842 -0.956 1.00 62.33 H new ATOM 0 HG12 ILE A 23 -3.632 -4.631 0.689 1.00 61.13 H new ATOM 0 HG13 ILE A 23 -3.689 -3.372 1.907 1.00 61.13 H new ATOM 0 HG21 ILE A 23 -2.218 -3.746 -0.972 1.00 1.43 H new ATOM 0 HG22 ILE A 23 -2.259 -2.025 -1.424 1.00 1.43 H new ATOM 0 HG23 ILE A 23 -1.734 -2.504 0.208 1.00 1.43 H new ATOM 0 HD11 ILE A 23 -5.708 -4.753 1.979 1.00 15.11 H new ATOM 0 HD12 ILE A 23 -6.112 -3.083 1.514 1.00 15.11 H new ATOM 0 HD13 ILE A 23 -6.054 -4.362 0.277 1.00 15.11 H new ATOM 366 N LEU A 24 -2.826 0.622 -0.535 1.00 4.12 N ATOM 367 CA LEU A 24 -2.485 1.666 -1.515 1.00 64.32 C ATOM 368 C LEU A 24 -1.179 1.361 -2.261 1.00 31.23 C ATOM 369 O LEU A 24 -0.131 1.135 -1.647 1.00 33.24 O ATOM 370 CB LEU A 24 -2.386 3.035 -0.830 1.00 75.44 C ATOM 371 CG LEU A 24 -3.653 3.489 -0.085 1.00 71.41 C ATOM 372 CD1 LEU A 24 -3.504 4.925 0.399 1.00 42.23 C ATOM 373 CD2 LEU A 24 -4.892 3.345 -0.965 1.00 3.24 C ATOM 0 H LEU A 24 -2.205 0.583 0.273 1.00 4.12 H new ATOM 0 HA LEU A 24 -3.289 1.684 -2.251 1.00 64.32 H new ATOM 0 HB2 LEU A 24 -1.557 3.010 -0.122 1.00 75.44 H new ATOM 0 HB3 LEU A 24 -2.139 3.783 -1.583 1.00 75.44 H new ATOM 0 HG LEU A 24 -3.781 2.842 0.783 1.00 71.41 H new ATOM 0 HD11 LEU A 24 -4.410 5.228 0.923 1.00 42.23 H new ATOM 0 HD12 LEU A 24 -2.653 4.994 1.076 1.00 42.23 H new ATOM 0 HD13 LEU A 24 -3.342 5.582 -0.456 1.00 42.23 H new ATOM 0 HD21 LEU A 24 -5.772 3.673 -0.411 1.00 3.24 H new ATOM 0 HD22 LEU A 24 -4.776 3.958 -1.859 1.00 3.24 H new ATOM 0 HD23 LEU A 24 -5.014 2.301 -1.254 1.00 3.24 H new ATOM 385 N ASP A 25 -1.259 1.360 -3.588 1.00 33.44 N ATOM 386 CA ASP A 25 -0.096 1.147 -4.448 1.00 41.04 C ATOM 387 C ASP A 25 0.581 2.488 -4.764 1.00 41.13 C ATOM 388 O ASP A 25 0.091 3.256 -5.593 1.00 41.21 O ATOM 389 CB ASP A 25 -0.538 0.470 -5.746 1.00 72.32 C ATOM 390 CG ASP A 25 0.613 -0.132 -6.528 1.00 31.50 C ATOM 391 OD1 ASP A 25 1.632 0.557 -6.753 1.00 71.45 O ATOM 392 OD2 ASP A 25 0.505 -1.310 -6.914 1.00 1.41 O ATOM 0 H ASP A 25 -2.130 1.506 -4.099 1.00 33.44 H new ATOM 0 HA ASP A 25 0.618 0.507 -3.930 1.00 41.04 H new ATOM 0 HB2 ASP A 25 -1.259 -0.313 -5.512 1.00 72.32 H new ATOM 0 HB3 ASP A 25 -1.052 1.200 -6.372 1.00 72.32 H new ATOM 397 N VAL A 26 1.701 2.768 -4.105 1.00 21.42 N ATOM 398 CA VAL A 26 2.391 4.053 -4.278 1.00 53.41 C ATOM 399 C VAL A 26 3.615 3.941 -5.195 1.00 25.34 C ATOM 400 O VAL A 26 4.396 4.885 -5.318 1.00 41.44 O ATOM 401 CB VAL A 26 2.810 4.644 -2.913 1.00 12.42 C ATOM 402 CG1 VAL A 26 1.573 4.932 -2.064 1.00 11.41 C ATOM 403 CG2 VAL A 26 3.769 3.703 -2.186 1.00 33.44 C ATOM 0 H VAL A 26 2.152 2.130 -3.449 1.00 21.42 H new ATOM 0 HA VAL A 26 1.679 4.725 -4.757 1.00 53.41 H new ATOM 0 HB VAL A 26 3.335 5.583 -3.085 1.00 12.42 H new ATOM 0 HG11 VAL A 26 1.879 5.348 -1.104 1.00 11.41 H new ATOM 0 HG12 VAL A 26 0.934 5.647 -2.582 1.00 11.41 H new ATOM 0 HG13 VAL A 26 1.022 4.006 -1.899 1.00 11.41 H new ATOM 0 HG21 VAL A 26 4.050 4.140 -1.228 1.00 33.44 H new ATOM 0 HG22 VAL A 26 3.280 2.744 -2.018 1.00 33.44 H new ATOM 0 HG23 VAL A 26 4.662 3.554 -2.793 1.00 33.44 H new ATOM 413 N ARG A 27 3.763 2.800 -5.865 1.00 64.50 N ATOM 414 CA ARG A 27 4.875 2.599 -6.800 1.00 62.03 C ATOM 415 C ARG A 27 4.757 3.548 -8.001 1.00 13.31 C ATOM 416 O ARG A 27 5.523 4.505 -8.139 1.00 74.51 O ATOM 417 CB ARG A 27 4.908 1.145 -7.291 1.00 33.51 C ATOM 418 CG ARG A 27 5.138 0.122 -6.187 1.00 40.12 C ATOM 419 CD ARG A 27 4.969 -1.302 -6.704 1.00 50.30 C ATOM 420 NE ARG A 27 3.629 -1.535 -7.215 1.00 23.15 N ATOM 421 CZ ARG A 27 3.322 -2.496 -8.029 1.00 34.41 C ATOM 422 NH1 ARG A 27 4.213 -3.353 -8.408 1.00 13.04 N ATOM 423 NH2 ARG A 27 2.122 -2.601 -8.466 1.00 2.55 N ATOM 0 H ARG A 27 3.132 2.003 -5.781 1.00 64.50 H new ATOM 0 HA ARG A 27 5.802 2.818 -6.270 1.00 62.03 H new ATOM 0 HB2 ARG A 27 3.965 0.920 -7.790 1.00 33.51 H new ATOM 0 HB3 ARG A 27 5.696 1.042 -8.037 1.00 33.51 H new ATOM 0 HG2 ARG A 27 6.141 0.245 -5.778 1.00 40.12 H new ATOM 0 HG3 ARG A 27 4.437 0.300 -5.372 1.00 40.12 H new ATOM 0 HD2 ARG A 27 5.697 -1.491 -7.493 1.00 50.30 H new ATOM 0 HD3 ARG A 27 5.179 -2.008 -5.900 1.00 50.30 H new ATOM 0 HE ARG A 27 2.885 -0.905 -6.915 1.00 23.15 H new ATOM 0 HH11 ARG A 27 5.171 -3.278 -8.066 1.00 13.04 H new ATOM 0 HH12 ARG A 27 3.958 -4.104 -9.049 1.00 13.04 H new ATOM 0 HH21 ARG A 27 1.412 -1.930 -8.173 1.00 2.55 H new ATOM 0 HH22 ARG A 27 1.877 -3.356 -9.107 1.00 2.55 H new ATOM 437 N ASP A 28 3.775 3.280 -8.852 1.00 63.23 N ATOM 438 CA ASP A 28 3.534 4.084 -10.047 1.00 31.43 C ATOM 439 C ASP A 28 2.216 3.662 -10.701 1.00 71.30 C ATOM 440 O ASP A 28 1.743 2.546 -10.490 1.00 0.12 O ATOM 441 CB ASP A 28 4.686 3.916 -11.052 1.00 1.42 C ATOM 442 CG ASP A 28 4.664 4.970 -12.142 1.00 4.22 C ATOM 443 OD1 ASP A 28 3.926 4.801 -13.130 1.00 54.00 O ATOM 444 OD2 ASP A 28 5.381 5.982 -12.013 1.00 63.33 O ATOM 0 H ASP A 28 3.125 2.503 -8.736 1.00 63.23 H new ATOM 0 HA ASP A 28 3.475 5.132 -9.753 1.00 31.43 H new ATOM 0 HB2 ASP A 28 5.637 3.966 -10.522 1.00 1.42 H new ATOM 0 HB3 ASP A 28 4.626 2.927 -11.506 1.00 1.42 H new ATOM 449 N ARG A 29 1.632 4.550 -11.494 1.00 70.31 N ATOM 450 CA ARG A 29 0.422 4.223 -12.246 1.00 72.50 C ATOM 451 C ARG A 29 0.676 2.997 -13.150 1.00 73.05 C ATOM 452 O ARG A 29 -0.090 2.028 -13.156 1.00 44.12 O ATOM 453 CB ARG A 29 -0.001 5.433 -13.091 1.00 22.25 C ATOM 454 CG ARG A 29 -1.356 5.269 -13.767 1.00 10.53 C ATOM 455 CD ARG A 29 -2.511 5.389 -12.774 1.00 31.31 C ATOM 456 NE ARG A 29 -2.589 6.724 -12.183 1.00 44.31 N ATOM 457 CZ ARG A 29 -3.632 7.190 -11.552 1.00 74.34 C ATOM 458 NH1 ARG A 29 -4.713 6.487 -11.425 1.00 72.31 N ATOM 459 NH2 ARG A 29 -3.598 8.385 -11.067 1.00 54.24 N ATOM 0 H ARG A 29 1.973 5.501 -11.635 1.00 70.31 H new ATOM 0 HA ARG A 29 -0.381 3.979 -11.550 1.00 72.50 H new ATOM 0 HB2 ARG A 29 -0.028 6.317 -12.454 1.00 22.25 H new ATOM 0 HB3 ARG A 29 0.756 5.613 -13.855 1.00 22.25 H new ATOM 0 HG2 ARG A 29 -1.467 6.025 -14.545 1.00 10.53 H new ATOM 0 HG3 ARG A 29 -1.400 4.297 -14.259 1.00 10.53 H new ATOM 0 HD2 ARG A 29 -3.449 5.161 -13.280 1.00 31.31 H new ATOM 0 HD3 ARG A 29 -2.388 4.649 -11.983 1.00 31.31 H new ATOM 0 HE ARG A 29 -1.774 7.331 -12.270 1.00 44.31 H new ATOM 0 HH11 ARG A 29 -4.761 5.549 -11.822 1.00 72.31 H new ATOM 0 HH12 ARG A 29 -5.516 6.872 -10.928 1.00 72.31 H new ATOM 0 HH21 ARG A 29 -2.761 8.957 -11.178 1.00 54.24 H new ATOM 0 HH22 ARG A 29 -4.408 8.758 -10.572 1.00 54.24 H new ATOM 473 N SER A 30 1.788 3.043 -13.877 1.00 31.14 N ATOM 474 CA SER A 30 2.195 1.964 -14.776 1.00 42.10 C ATOM 475 C SER A 30 2.510 0.688 -13.996 1.00 43.04 C ATOM 476 O SER A 30 1.913 -0.357 -14.237 1.00 72.12 O ATOM 477 CB SER A 30 3.431 2.387 -15.580 1.00 44.51 C ATOM 478 OG SER A 30 4.542 2.633 -14.728 1.00 62.12 O ATOM 0 H SER A 30 2.435 3.831 -13.860 1.00 31.14 H new ATOM 0 HA SER A 30 1.366 1.762 -15.455 1.00 42.10 H new ATOM 0 HB2 SER A 30 3.686 1.607 -16.297 1.00 44.51 H new ATOM 0 HB3 SER A 30 3.204 3.285 -16.154 1.00 44.51 H new ATOM 0 HG SER A 30 4.381 3.447 -14.207 1.00 62.12 H new ATOM 484 N THR A 31 3.443 0.789 -13.047 1.00 4.41 N ATOM 485 CA THR A 31 3.857 -0.358 -12.227 1.00 72.43 C ATOM 486 C THR A 31 2.661 -1.017 -11.523 1.00 4.32 C ATOM 487 O THR A 31 2.637 -2.236 -11.334 1.00 30.31 O ATOM 488 CB THR A 31 4.912 0.057 -11.177 1.00 22.42 C ATOM 489 OG1 THR A 31 5.986 0.768 -11.816 1.00 62.12 O ATOM 490 CG2 THR A 31 5.479 -1.159 -10.458 1.00 41.22 C ATOM 0 H THR A 31 3.930 1.657 -12.825 1.00 4.41 H new ATOM 0 HA THR A 31 4.300 -1.086 -12.907 1.00 72.43 H new ATOM 0 HB THR A 31 4.422 0.700 -10.446 1.00 22.42 H new ATOM 0 HG1 THR A 31 6.650 1.030 -11.145 1.00 62.12 H new ATOM 0 HG21 THR A 31 6.219 -0.836 -9.725 1.00 41.22 H new ATOM 0 HG22 THR A 31 4.674 -1.690 -9.951 1.00 41.22 H new ATOM 0 HG23 THR A 31 5.951 -1.823 -11.182 1.00 41.22 H new ATOM 498 N TYR A 32 1.668 -0.210 -11.141 1.00 41.45 N ATOM 499 CA TYR A 32 0.400 -0.745 -10.635 1.00 3.23 C ATOM 500 C TYR A 32 -0.204 -1.706 -11.663 1.00 12.20 C ATOM 501 O TYR A 32 -0.569 -2.836 -11.336 1.00 13.11 O ATOM 502 CB TYR A 32 -0.592 0.391 -10.321 1.00 42.15 C ATOM 503 CG TYR A 32 -1.985 -0.093 -9.945 1.00 31.51 C ATOM 504 CD1 TYR A 32 -2.246 -0.622 -8.684 1.00 40.12 C ATOM 505 CD2 TYR A 32 -3.037 -0.027 -10.855 1.00 72.04 C ATOM 506 CE1 TYR A 32 -3.509 -1.068 -8.342 1.00 3.12 C ATOM 507 CE2 TYR A 32 -4.303 -0.471 -10.518 1.00 11.41 C ATOM 508 CZ TYR A 32 -4.532 -0.992 -9.261 1.00 63.04 C ATOM 509 OH TYR A 32 -5.790 -1.437 -8.920 1.00 32.22 O ATOM 0 H TYR A 32 1.716 0.808 -11.172 1.00 41.45 H new ATOM 0 HA TYR A 32 0.598 -1.286 -9.709 1.00 3.23 H new ATOM 0 HB2 TYR A 32 -0.194 0.992 -9.503 1.00 42.15 H new ATOM 0 HB3 TYR A 32 -0.667 1.045 -11.190 1.00 42.15 H new ATOM 0 HD1 TYR A 32 -1.447 -0.685 -7.960 1.00 40.12 H new ATOM 0 HD2 TYR A 32 -2.861 0.378 -11.841 1.00 72.04 H new ATOM 0 HE1 TYR A 32 -3.693 -1.474 -7.358 1.00 3.12 H new ATOM 0 HE2 TYR A 32 -5.108 -0.410 -11.235 1.00 11.41 H new ATOM 0 HH TYR A 32 -5.845 -1.548 -7.948 1.00 32.22 H new ATOM 519 N ASN A 33 -0.292 -1.257 -12.913 1.00 60.25 N ATOM 520 CA ASN A 33 -0.770 -2.114 -14.001 1.00 1.13 C ATOM 521 C ASN A 33 0.155 -3.329 -14.212 1.00 54.21 C ATOM 522 O ASN A 33 -0.329 -4.441 -14.406 1.00 13.21 O ATOM 523 CB ASN A 33 -0.910 -1.321 -15.306 1.00 44.22 C ATOM 524 CG ASN A 33 -2.056 -0.329 -15.256 1.00 21.35 C ATOM 525 OD1 ASN A 33 -3.188 -0.647 -15.605 1.00 31.22 O ATOM 526 ND2 ASN A 33 -1.775 0.879 -14.819 1.00 63.23 N ATOM 0 H ASN A 33 -0.041 -0.311 -13.199 1.00 60.25 H new ATOM 0 HA ASN A 33 -1.754 -2.484 -13.712 1.00 1.13 H new ATOM 0 HB2 ASN A 33 0.020 -0.789 -15.507 1.00 44.22 H new ATOM 0 HB3 ASN A 33 -1.067 -2.013 -16.134 1.00 44.22 H new ATOM 0 HD21 ASN A 33 -2.509 1.585 -14.762 1.00 63.23 H new ATOM 0 HD22 ASN A 33 -0.823 1.110 -14.537 1.00 63.23 H new ATOM 533 N ASP A 34 1.477 -3.120 -14.171 1.00 70.24 N ATOM 534 CA ASP A 34 2.435 -4.226 -14.336 1.00 73.14 C ATOM 535 C ASP A 34 2.157 -5.388 -13.364 1.00 54.15 C ATOM 536 O ASP A 34 2.071 -6.544 -13.781 1.00 2.04 O ATOM 537 CB ASP A 34 3.873 -3.724 -14.133 1.00 43.14 C ATOM 538 CG ASP A 34 4.405 -2.944 -15.323 1.00 32.22 C ATOM 539 OD1 ASP A 34 3.905 -1.832 -15.584 1.00 60.13 O ATOM 540 OD2 ASP A 34 5.342 -3.432 -15.993 1.00 22.22 O ATOM 0 H ASP A 34 1.907 -2.206 -14.027 1.00 70.24 H new ATOM 0 HA ASP A 34 2.313 -4.601 -15.352 1.00 73.14 H new ATOM 0 HB2 ASP A 34 3.909 -3.091 -13.246 1.00 43.14 H new ATOM 0 HB3 ASP A 34 4.526 -4.576 -13.943 1.00 43.14 H new ATOM 545 N GLY A 35 1.981 -5.083 -12.080 1.00 65.23 N ATOM 546 CA GLY A 35 1.667 -6.131 -11.116 1.00 23.51 C ATOM 547 C GLY A 35 1.443 -5.603 -9.712 1.00 34.25 C ATOM 548 O GLY A 35 2.342 -5.022 -9.121 1.00 34.01 O ATOM 0 H GLY A 35 2.049 -4.142 -11.691 1.00 65.23 H new ATOM 0 HA2 GLY A 35 0.774 -6.662 -11.444 1.00 23.51 H new ATOM 0 HA3 GLY A 35 2.481 -6.856 -11.099 1.00 23.51 H new ATOM 552 N HIS A 36 0.246 -5.820 -9.172 1.00 62.11 N ATOM 553 CA HIS A 36 -0.138 -5.272 -7.864 1.00 53.10 C ATOM 554 C HIS A 36 -0.710 -6.346 -6.925 1.00 1.35 C ATOM 555 O HIS A 36 -1.092 -7.435 -7.363 1.00 44.51 O ATOM 556 CB HIS A 36 -1.178 -4.158 -8.059 1.00 75.53 C ATOM 557 CG HIS A 36 -2.380 -4.563 -8.872 1.00 0.34 C ATOM 558 ND1 HIS A 36 -2.626 -4.078 -10.134 1.00 13.22 N ATOM 559 CD2 HIS A 36 -3.423 -5.387 -8.590 1.00 3.23 C ATOM 560 CE1 HIS A 36 -3.754 -4.572 -10.593 1.00 74.32 C ATOM 561 NE2 HIS A 36 -4.266 -5.368 -9.678 1.00 25.43 N ATOM 0 H HIS A 36 -0.483 -6.375 -9.620 1.00 62.11 H new ATOM 0 HA HIS A 36 0.764 -4.875 -7.399 1.00 53.10 H new ATOM 0 HB2 HIS A 36 -1.515 -3.817 -7.080 1.00 75.53 H new ATOM 0 HB3 HIS A 36 -0.696 -3.309 -8.544 1.00 75.53 H new ATOM 0 HD1 HIS A 36 -2.022 -3.430 -10.640 1.00 13.22 H new ATOM 0 HD2 HIS A 36 -3.564 -5.952 -7.681 1.00 3.23 H new ATOM 0 HE1 HIS A 36 -4.188 -4.360 -11.559 1.00 74.32 H new ATOM 570 N ILE A 37 -0.779 -6.026 -5.634 1.00 65.41 N ATOM 571 CA ILE A 37 -1.465 -6.883 -4.661 1.00 43.45 C ATOM 572 C ILE A 37 -2.953 -7.020 -5.025 1.00 25.00 C ATOM 573 O ILE A 37 -3.582 -6.055 -5.475 1.00 54.22 O ATOM 574 CB ILE A 37 -1.324 -6.325 -3.217 1.00 72.31 C ATOM 575 CG1 ILE A 37 0.136 -6.432 -2.738 1.00 44.32 C ATOM 576 CG2 ILE A 37 -2.267 -7.044 -2.250 1.00 5.40 C ATOM 577 CD1 ILE A 37 0.379 -5.823 -1.370 1.00 21.53 C ATOM 0 H ILE A 37 -0.370 -5.181 -5.235 1.00 65.41 H new ATOM 0 HA ILE A 37 -0.994 -7.866 -4.694 1.00 43.45 H new ATOM 0 HB ILE A 37 -1.606 -5.272 -3.233 1.00 72.31 H new ATOM 0 HG12 ILE A 37 0.424 -7.483 -2.714 1.00 44.32 H new ATOM 0 HG13 ILE A 37 0.784 -5.941 -3.464 1.00 44.32 H new ATOM 0 HG21 ILE A 37 -2.145 -6.631 -1.248 1.00 5.40 H new ATOM 0 HG22 ILE A 37 -3.298 -6.905 -2.576 1.00 5.40 H new ATOM 0 HG23 ILE A 37 -2.031 -8.108 -2.235 1.00 5.40 H new ATOM 0 HD11 ILE A 37 1.429 -5.937 -1.102 1.00 21.53 H new ATOM 0 HD12 ILE A 37 0.124 -4.764 -1.393 1.00 21.53 H new ATOM 0 HD13 ILE A 37 -0.241 -6.330 -0.631 1.00 21.53 H new ATOM 589 N MET A 38 -3.509 -8.219 -4.845 1.00 51.11 N ATOM 590 CA MET A 38 -4.901 -8.487 -5.222 1.00 34.42 C ATOM 591 C MET A 38 -5.885 -7.540 -4.514 1.00 74.55 C ATOM 592 O MET A 38 -6.122 -7.658 -3.312 1.00 34.03 O ATOM 593 CB MET A 38 -5.266 -9.948 -4.922 1.00 35.30 C ATOM 594 CG MET A 38 -6.694 -10.321 -5.316 1.00 53.04 C ATOM 595 SD MET A 38 -7.020 -12.090 -5.170 1.00 24.43 S ATOM 596 CE MET A 38 -5.797 -12.745 -6.305 1.00 3.32 C ATOM 0 H MET A 38 -3.020 -9.019 -4.442 1.00 51.11 H new ATOM 0 HA MET A 38 -4.985 -8.307 -6.294 1.00 34.42 H new ATOM 0 HB2 MET A 38 -4.571 -10.602 -5.449 1.00 35.30 H new ATOM 0 HB3 MET A 38 -5.133 -10.134 -3.856 1.00 35.30 H new ATOM 0 HG2 MET A 38 -7.395 -9.774 -4.685 1.00 53.04 H new ATOM 0 HG3 MET A 38 -6.877 -10.006 -6.343 1.00 53.04 H new ATOM 0 HE1 MET A 38 -5.927 -13.823 -6.397 1.00 3.32 H new ATOM 0 HE2 MET A 38 -5.922 -12.280 -7.283 1.00 3.32 H new ATOM 0 HE3 MET A 38 -4.798 -12.531 -5.926 1.00 3.32 H new ATOM 606 N GLY A 39 -6.442 -6.596 -5.270 1.00 50.42 N ATOM 607 CA GLY A 39 -7.439 -5.679 -4.724 1.00 63.30 C ATOM 608 C GLY A 39 -6.872 -4.337 -4.259 1.00 61.01 C ATOM 609 O GLY A 39 -7.570 -3.566 -3.600 1.00 64.54 O ATOM 0 H GLY A 39 -6.222 -6.447 -6.255 1.00 50.42 H new ATOM 0 HA2 GLY A 39 -8.200 -5.495 -5.482 1.00 63.30 H new ATOM 0 HA3 GLY A 39 -7.937 -6.161 -3.883 1.00 63.30 H new ATOM 613 N ALA A 40 -5.619 -4.044 -4.604 1.00 23.41 N ATOM 614 CA ALA A 40 -4.979 -2.785 -4.188 1.00 54.31 C ATOM 615 C ALA A 40 -5.476 -1.570 -4.993 1.00 13.13 C ATOM 616 O ALA A 40 -5.922 -1.694 -6.134 1.00 21.22 O ATOM 617 CB ALA A 40 -3.464 -2.891 -4.293 1.00 2.23 C ATOM 0 H ALA A 40 -5.025 -4.653 -5.167 1.00 23.41 H new ATOM 0 HA ALA A 40 -5.262 -2.624 -3.148 1.00 54.31 H new ATOM 0 HB1 ALA A 40 -3.011 -1.950 -3.981 1.00 2.23 H new ATOM 0 HB2 ALA A 40 -3.110 -3.696 -3.648 1.00 2.23 H new ATOM 0 HB3 ALA A 40 -3.185 -3.103 -5.325 1.00 2.23 H new ATOM 623 N MET A 41 -5.361 -0.392 -4.384 1.00 32.03 N ATOM 624 CA MET A 41 -5.808 0.868 -4.989 1.00 44.21 C ATOM 625 C MET A 41 -4.686 1.549 -5.782 1.00 41.04 C ATOM 626 O MET A 41 -3.508 1.423 -5.448 1.00 64.42 O ATOM 627 CB MET A 41 -6.293 1.813 -3.889 1.00 12.14 C ATOM 628 CG MET A 41 -7.502 1.294 -3.132 1.00 61.42 C ATOM 629 SD MET A 41 -9.028 1.424 -4.089 1.00 35.12 S ATOM 630 CE MET A 41 -9.122 3.196 -4.370 1.00 31.52 C ATOM 0 H MET A 41 -4.955 -0.280 -3.455 1.00 32.03 H new ATOM 0 HA MET A 41 -6.618 0.639 -5.681 1.00 44.21 H new ATOM 0 HB2 MET A 41 -5.479 1.985 -3.184 1.00 12.14 H new ATOM 0 HB3 MET A 41 -6.539 2.778 -4.333 1.00 12.14 H new ATOM 0 HG2 MET A 41 -7.336 0.252 -2.860 1.00 61.42 H new ATOM 0 HG3 MET A 41 -7.612 1.853 -2.202 1.00 61.42 H new ATOM 0 HE1 MET A 41 -10.075 3.440 -4.840 1.00 31.52 H new ATOM 0 HE2 MET A 41 -9.042 3.720 -3.418 1.00 31.52 H new ATOM 0 HE3 MET A 41 -8.306 3.505 -5.023 1.00 31.52 H new ATOM 640 N ALA A 42 -5.065 2.293 -6.815 1.00 5.34 N ATOM 641 CA ALA A 42 -4.093 3.002 -7.652 1.00 62.01 C ATOM 642 C ALA A 42 -3.841 4.432 -7.153 1.00 34.31 C ATOM 643 O ALA A 42 -4.510 5.380 -7.575 1.00 23.32 O ATOM 644 CB ALA A 42 -4.560 3.020 -9.104 1.00 32.11 C ATOM 0 H ALA A 42 -6.037 2.423 -7.096 1.00 5.34 H new ATOM 0 HA ALA A 42 -3.148 2.463 -7.586 1.00 62.01 H new ATOM 0 HB1 ALA A 42 -3.829 3.550 -9.715 1.00 32.11 H new ATOM 0 HB2 ALA A 42 -4.662 1.997 -9.466 1.00 32.11 H new ATOM 0 HB3 ALA A 42 -5.523 3.526 -9.170 1.00 32.11 H new ATOM 650 N MET A 43 -2.882 4.579 -6.241 1.00 72.53 N ATOM 651 CA MET A 43 -2.462 5.901 -5.759 1.00 65.41 C ATOM 652 C MET A 43 -0.949 6.106 -5.947 1.00 61.32 C ATOM 653 O MET A 43 -0.169 5.933 -5.009 1.00 14.51 O ATOM 654 CB MET A 43 -2.831 6.115 -4.281 1.00 21.11 C ATOM 655 CG MET A 43 -4.298 6.445 -4.032 1.00 61.35 C ATOM 656 SD MET A 43 -5.341 4.996 -3.809 1.00 30.11 S ATOM 657 CE MET A 43 -6.866 5.783 -3.292 1.00 12.42 C ATOM 0 H MET A 43 -2.378 3.800 -5.818 1.00 72.53 H new ATOM 0 HA MET A 43 -2.999 6.637 -6.357 1.00 65.41 H new ATOM 0 HB2 MET A 43 -2.576 5.214 -3.723 1.00 21.11 H new ATOM 0 HB3 MET A 43 -2.218 6.923 -3.881 1.00 21.11 H new ATOM 0 HG2 MET A 43 -4.374 7.075 -3.146 1.00 61.35 H new ATOM 0 HG3 MET A 43 -4.677 7.028 -4.871 1.00 61.35 H new ATOM 0 HE1 MET A 43 -7.432 5.099 -2.659 1.00 12.42 H new ATOM 0 HE2 MET A 43 -6.636 6.690 -2.732 1.00 12.42 H new ATOM 0 HE3 MET A 43 -7.459 6.039 -4.170 1.00 12.42 H new ATOM 667 N PRO A 44 -0.515 6.489 -7.165 1.00 11.53 N ATOM 668 CA PRO A 44 0.912 6.704 -7.462 1.00 35.20 C ATOM 669 C PRO A 44 1.514 7.764 -6.529 1.00 21.24 C ATOM 670 O PRO A 44 0.959 8.847 -6.383 1.00 32.11 O ATOM 671 CB PRO A 44 0.911 7.169 -8.937 1.00 10.41 C ATOM 672 CG PRO A 44 -0.414 6.745 -9.481 1.00 51.14 C ATOM 673 CD PRO A 44 -1.374 6.772 -8.326 1.00 11.51 C ATOM 0 HA PRO A 44 1.521 5.813 -7.310 1.00 35.20 H new ATOM 0 HB2 PRO A 44 1.039 8.249 -9.009 1.00 10.41 H new ATOM 0 HB3 PRO A 44 1.729 6.713 -9.494 1.00 10.41 H new ATOM 0 HG2 PRO A 44 -0.741 7.417 -10.274 1.00 51.14 H new ATOM 0 HG3 PRO A 44 -0.355 5.746 -9.914 1.00 51.14 H new ATOM 0 HD2 PRO A 44 -1.867 7.740 -8.235 1.00 11.51 H new ATOM 0 HD3 PRO A 44 -2.159 6.024 -8.438 1.00 11.51 H new ATOM 681 N ILE A 45 2.652 7.439 -5.907 1.00 72.41 N ATOM 682 CA ILE A 45 3.241 8.252 -4.823 1.00 22.34 C ATOM 683 C ILE A 45 3.191 9.776 -5.084 1.00 0.20 C ATOM 684 O ILE A 45 3.023 10.567 -4.154 1.00 2.44 O ATOM 685 CB ILE A 45 4.702 7.804 -4.554 1.00 64.32 C ATOM 686 CG1 ILE A 45 5.256 8.450 -3.269 1.00 21.14 C ATOM 687 CG2 ILE A 45 5.597 8.115 -5.755 1.00 5.33 C ATOM 688 CD1 ILE A 45 6.589 7.878 -2.827 1.00 21.40 C ATOM 0 H ILE A 45 3.195 6.607 -6.136 1.00 72.41 H new ATOM 0 HA ILE A 45 2.624 8.075 -3.942 1.00 22.34 H new ATOM 0 HB ILE A 45 4.699 6.724 -4.406 1.00 64.32 H new ATOM 0 HG12 ILE A 45 5.366 9.522 -3.430 1.00 21.14 H new ATOM 0 HG13 ILE A 45 4.531 8.321 -2.466 1.00 21.14 H new ATOM 0 HG21 ILE A 45 6.616 7.792 -5.543 1.00 5.33 H new ATOM 0 HG22 ILE A 45 5.224 7.587 -6.633 1.00 5.33 H new ATOM 0 HG23 ILE A 45 5.589 9.188 -5.947 1.00 5.33 H new ATOM 0 HD11 ILE A 45 6.917 8.380 -1.917 1.00 21.40 H new ATOM 0 HD12 ILE A 45 6.481 6.811 -2.633 1.00 21.40 H new ATOM 0 HD13 ILE A 45 7.329 8.031 -3.613 1.00 21.40 H new ATOM 700 N GLU A 46 3.317 10.182 -6.344 1.00 71.34 N ATOM 701 CA GLU A 46 3.234 11.603 -6.710 1.00 63.32 C ATOM 702 C GLU A 46 1.778 12.118 -6.690 1.00 52.22 C ATOM 703 O GLU A 46 1.512 13.233 -6.237 1.00 14.30 O ATOM 704 CB GLU A 46 3.876 11.823 -8.082 1.00 62.03 C ATOM 705 CG GLU A 46 3.322 10.921 -9.180 1.00 14.20 C ATOM 706 CD GLU A 46 4.115 11.029 -10.470 1.00 4.11 C ATOM 707 OE1 GLU A 46 3.946 12.034 -11.191 1.00 43.15 O ATOM 708 OE2 GLU A 46 4.925 10.115 -10.758 1.00 22.11 O ATOM 0 H GLU A 46 3.477 9.553 -7.131 1.00 71.34 H new ATOM 0 HA GLU A 46 3.783 12.179 -5.964 1.00 63.32 H new ATOM 0 HB2 GLU A 46 3.734 12.863 -8.375 1.00 62.03 H new ATOM 0 HB3 GLU A 46 4.950 11.659 -7.999 1.00 62.03 H new ATOM 0 HG2 GLU A 46 3.331 9.887 -8.836 1.00 14.20 H new ATOM 0 HG3 GLU A 46 2.282 11.184 -9.373 1.00 14.20 H new ATOM 715 N ASP A 47 0.843 11.297 -7.171 1.00 2.21 N ATOM 716 CA ASP A 47 -0.595 11.610 -7.115 1.00 53.41 C ATOM 717 C ASP A 47 -1.200 11.294 -5.730 1.00 43.03 C ATOM 718 O ASP A 47 -2.300 11.744 -5.412 1.00 73.04 O ATOM 719 CB ASP A 47 -1.356 10.795 -8.173 1.00 72.42 C ATOM 720 CG ASP A 47 -1.088 11.237 -9.597 1.00 40.22 C ATOM 721 OD1 ASP A 47 0.051 11.065 -10.075 1.00 20.24 O ATOM 722 OD2 ASP A 47 -2.034 11.713 -10.262 1.00 64.24 O ATOM 0 H ASP A 47 1.054 10.400 -7.609 1.00 2.21 H new ATOM 0 HA ASP A 47 -0.696 12.678 -7.307 1.00 53.41 H new ATOM 0 HB2 ASP A 47 -1.085 9.744 -8.072 1.00 72.42 H new ATOM 0 HB3 ASP A 47 -2.425 10.869 -7.975 1.00 72.42 H new ATOM 727 N LEU A 48 -0.466 10.522 -4.925 1.00 24.14 N ATOM 728 CA LEU A 48 -0.966 9.949 -3.657 1.00 74.32 C ATOM 729 C LEU A 48 -1.854 10.907 -2.836 1.00 44.32 C ATOM 730 O LEU A 48 -3.048 10.654 -2.678 1.00 43.41 O ATOM 731 CB LEU A 48 0.214 9.482 -2.795 1.00 50.23 C ATOM 732 CG LEU A 48 -0.162 8.907 -1.420 1.00 11.41 C ATOM 733 CD1 LEU A 48 -0.986 7.631 -1.567 1.00 13.04 C ATOM 734 CD2 LEU A 48 1.086 8.657 -0.584 1.00 35.02 C ATOM 0 H LEU A 48 0.501 10.270 -5.130 1.00 24.14 H new ATOM 0 HA LEU A 48 -1.601 9.109 -3.939 1.00 74.32 H new ATOM 0 HB2 LEU A 48 0.768 8.724 -3.348 1.00 50.23 H new ATOM 0 HB3 LEU A 48 0.889 10.325 -2.645 1.00 50.23 H new ATOM 0 HG LEU A 48 -0.777 9.642 -0.901 1.00 11.41 H new ATOM 0 HD11 LEU A 48 -1.238 7.245 -0.579 1.00 13.04 H new ATOM 0 HD12 LEU A 48 -1.902 7.850 -2.116 1.00 13.04 H new ATOM 0 HD13 LEU A 48 -0.407 6.885 -2.111 1.00 13.04 H new ATOM 0 HD21 LEU A 48 0.799 8.250 0.386 1.00 35.02 H new ATOM 0 HD22 LEU A 48 1.732 7.946 -1.099 1.00 35.02 H new ATOM 0 HD23 LEU A 48 1.621 9.596 -0.440 1.00 35.02 H new ATOM 746 N VAL A 49 -1.267 11.988 -2.313 1.00 40.05 N ATOM 747 CA VAL A 49 -1.994 12.943 -1.454 1.00 72.45 C ATOM 748 C VAL A 49 -3.348 13.347 -2.063 1.00 14.11 C ATOM 749 O VAL A 49 -4.384 13.306 -1.398 1.00 14.25 O ATOM 750 CB VAL A 49 -1.148 14.220 -1.192 1.00 25.10 C ATOM 751 CG1 VAL A 49 -1.921 15.233 -0.345 1.00 4.23 C ATOM 752 CG2 VAL A 49 0.180 13.858 -0.527 1.00 53.20 C ATOM 0 H VAL A 49 -0.288 12.229 -2.467 1.00 40.05 H new ATOM 0 HA VAL A 49 -2.177 12.432 -0.509 1.00 72.45 H new ATOM 0 HB VAL A 49 -0.936 14.685 -2.155 1.00 25.10 H new ATOM 0 HG11 VAL A 49 -1.303 16.115 -0.179 1.00 4.23 H new ATOM 0 HG12 VAL A 49 -2.834 15.522 -0.866 1.00 4.23 H new ATOM 0 HG13 VAL A 49 -2.178 14.784 0.614 1.00 4.23 H new ATOM 0 HG21 VAL A 49 0.758 14.765 -0.352 1.00 53.20 H new ATOM 0 HG22 VAL A 49 -0.013 13.361 0.424 1.00 53.20 H new ATOM 0 HG23 VAL A 49 0.743 13.189 -1.178 1.00 53.20 H new ATOM 762 N ASP A 50 -3.322 13.713 -3.338 1.00 25.43 N ATOM 763 CA ASP A 50 -4.527 14.111 -4.073 1.00 60.40 C ATOM 764 C ASP A 50 -5.537 12.947 -4.182 1.00 62.10 C ATOM 765 O ASP A 50 -6.715 13.097 -3.851 1.00 3.54 O ATOM 766 CB ASP A 50 -4.126 14.603 -5.469 1.00 1.11 C ATOM 767 CG ASP A 50 -5.318 15.004 -6.318 1.00 64.40 C ATOM 768 OD1 ASP A 50 -5.823 16.132 -6.148 1.00 11.50 O ATOM 769 OD2 ASP A 50 -5.758 14.194 -7.160 1.00 51.52 O ATOM 0 H ASP A 50 -2.469 13.744 -3.896 1.00 25.43 H new ATOM 0 HA ASP A 50 -5.018 14.915 -3.525 1.00 60.40 H new ATOM 0 HB2 ASP A 50 -3.454 15.455 -5.369 1.00 1.11 H new ATOM 0 HB3 ASP A 50 -3.570 13.817 -5.980 1.00 1.11 H new ATOM 774 N ARG A 51 -5.058 11.790 -4.637 1.00 30.33 N ATOM 775 CA ARG A 51 -5.909 10.606 -4.826 1.00 15.45 C ATOM 776 C ARG A 51 -6.580 10.175 -3.516 1.00 31.13 C ATOM 777 O ARG A 51 -7.799 10.000 -3.450 1.00 55.54 O ATOM 778 CB ARG A 51 -5.074 9.440 -5.370 1.00 43.50 C ATOM 779 CG ARG A 51 -4.385 9.742 -6.689 1.00 30.01 C ATOM 780 CD ARG A 51 -5.387 9.966 -7.808 1.00 41.14 C ATOM 781 NE ARG A 51 -4.779 10.633 -8.960 1.00 10.44 N ATOM 782 CZ ARG A 51 -5.444 11.043 -10.002 1.00 63.14 C ATOM 783 NH1 ARG A 51 -6.718 10.829 -10.098 1.00 54.15 N ATOM 784 NH2 ARG A 51 -4.828 11.671 -10.948 1.00 23.21 N ATOM 0 H ARG A 51 -4.079 11.643 -4.884 1.00 30.33 H new ATOM 0 HA ARG A 51 -6.688 10.874 -5.540 1.00 15.45 H new ATOM 0 HB2 ARG A 51 -4.320 9.169 -4.631 1.00 43.50 H new ATOM 0 HB3 ARG A 51 -5.720 8.572 -5.499 1.00 43.50 H new ATOM 0 HG2 ARG A 51 -3.759 10.628 -6.578 1.00 30.01 H new ATOM 0 HG3 ARG A 51 -3.724 8.916 -6.952 1.00 30.01 H new ATOM 0 HD2 ARG A 51 -5.802 9.008 -8.121 1.00 41.14 H new ATOM 0 HD3 ARG A 51 -6.217 10.567 -7.437 1.00 41.14 H new ATOM 0 HE ARG A 51 -3.771 10.786 -8.946 1.00 10.44 H new ATOM 0 HH11 ARG A 51 -7.210 10.335 -9.353 1.00 54.15 H new ATOM 0 HH12 ARG A 51 -7.229 11.154 -10.918 1.00 54.15 H new ATOM 0 HH21 ARG A 51 -3.825 11.844 -10.877 1.00 23.21 H new ATOM 0 HH22 ARG A 51 -5.344 11.994 -11.766 1.00 23.21 H new ATOM 798 N ALA A 52 -5.767 10.004 -2.481 1.00 71.02 N ATOM 799 CA ALA A 52 -6.250 9.572 -1.173 1.00 22.13 C ATOM 800 C ALA A 52 -7.215 10.595 -0.562 1.00 1.43 C ATOM 801 O ALA A 52 -8.311 10.241 -0.135 1.00 13.24 O ATOM 802 CB ALA A 52 -5.070 9.314 -0.245 1.00 12.41 C ATOM 0 H ALA A 52 -4.760 10.159 -2.522 1.00 71.02 H new ATOM 0 HA ALA A 52 -6.807 8.644 -1.304 1.00 22.13 H new ATOM 0 HB1 ALA A 52 -5.437 8.992 0.729 1.00 12.41 H new ATOM 0 HB2 ALA A 52 -4.437 8.535 -0.670 1.00 12.41 H new ATOM 0 HB3 ALA A 52 -4.491 10.230 -0.130 1.00 12.41 H new ATOM 808 N SER A 53 -6.815 11.869 -0.540 1.00 50.15 N ATOM 809 CA SER A 53 -7.671 12.941 0.002 1.00 73.03 C ATOM 810 C SER A 53 -9.037 12.980 -0.701 1.00 14.20 C ATOM 811 O SER A 53 -10.041 13.401 -0.122 1.00 71.34 O ATOM 812 CB SER A 53 -6.978 14.308 -0.133 1.00 62.24 C ATOM 813 OG SER A 53 -7.773 15.357 0.414 1.00 63.41 O ATOM 0 H SER A 53 -5.911 12.188 -0.888 1.00 50.15 H new ATOM 0 HA SER A 53 -7.835 12.725 1.058 1.00 73.03 H new ATOM 0 HB2 SER A 53 -6.014 14.279 0.375 1.00 62.24 H new ATOM 0 HB3 SER A 53 -6.778 14.513 -1.185 1.00 62.24 H new ATOM 0 HG SER A 53 -7.303 16.211 0.313 1.00 63.41 H new ATOM 819 N SER A 54 -9.070 12.518 -1.948 1.00 1.33 N ATOM 820 CA SER A 54 -10.308 12.490 -2.736 1.00 12.13 C ATOM 821 C SER A 54 -11.158 11.232 -2.462 1.00 23.23 C ATOM 822 O SER A 54 -12.366 11.330 -2.240 1.00 41.34 O ATOM 823 CB SER A 54 -9.986 12.562 -4.235 1.00 51.34 C ATOM 824 OG SER A 54 -11.168 12.488 -5.020 1.00 64.32 O ATOM 0 H SER A 54 -8.253 12.156 -2.440 1.00 1.33 H new ATOM 0 HA SER A 54 -10.891 13.359 -2.432 1.00 12.13 H new ATOM 0 HB2 SER A 54 -9.460 13.492 -4.452 1.00 51.34 H new ATOM 0 HB3 SER A 54 -9.316 11.746 -4.505 1.00 51.34 H new ATOM 0 HG SER A 54 -10.933 12.538 -5.970 1.00 64.32 H new ATOM 830 N SER A 55 -10.530 10.050 -2.471 1.00 11.53 N ATOM 831 CA SER A 55 -11.280 8.772 -2.416 1.00 2.32 C ATOM 832 C SER A 55 -11.089 7.986 -1.103 1.00 44.04 C ATOM 833 O SER A 55 -11.540 6.843 -0.998 1.00 3.32 O ATOM 834 CB SER A 55 -10.873 7.882 -3.600 1.00 10.13 C ATOM 835 OG SER A 55 -11.148 8.514 -4.844 1.00 31.34 O ATOM 0 H SER A 55 -9.517 9.943 -2.515 1.00 11.53 H new ATOM 0 HA SER A 55 -12.335 9.040 -2.467 1.00 2.32 H new ATOM 0 HB2 SER A 55 -9.810 7.651 -3.535 1.00 10.13 H new ATOM 0 HB3 SER A 55 -11.409 6.934 -3.546 1.00 10.13 H new ATOM 0 HG SER A 55 -10.877 7.924 -5.578 1.00 31.34 H new ATOM 841 N LEU A 56 -10.440 8.581 -0.106 1.00 54.32 N ATOM 842 CA LEU A 56 -10.214 7.905 1.185 1.00 1.14 C ATOM 843 C LEU A 56 -10.510 8.834 2.373 1.00 13.22 C ATOM 844 O LEU A 56 -10.332 10.049 2.284 1.00 2.14 O ATOM 845 CB LEU A 56 -8.761 7.412 1.288 1.00 15.24 C ATOM 846 CG LEU A 56 -8.350 6.324 0.283 1.00 74.03 C ATOM 847 CD1 LEU A 56 -6.868 6.005 0.429 1.00 30.33 C ATOM 848 CD2 LEU A 56 -9.189 5.063 0.474 1.00 51.12 C ATOM 0 H LEU A 56 -10.060 9.526 -0.159 1.00 54.32 H new ATOM 0 HA LEU A 56 -10.898 7.057 1.225 1.00 1.14 H new ATOM 0 HB2 LEU A 56 -8.097 8.267 1.160 1.00 15.24 H new ATOM 0 HB3 LEU A 56 -8.598 7.030 2.296 1.00 15.24 H new ATOM 0 HG LEU A 56 -8.530 6.701 -0.724 1.00 74.03 H new ATOM 0 HD11 LEU A 56 -6.590 5.233 -0.288 1.00 30.33 H new ATOM 0 HD12 LEU A 56 -6.282 6.904 0.240 1.00 30.33 H new ATOM 0 HD13 LEU A 56 -6.670 5.649 1.440 1.00 30.33 H new ATOM 0 HD21 LEU A 56 -8.880 4.307 -0.248 1.00 51.12 H new ATOM 0 HD22 LEU A 56 -9.045 4.680 1.484 1.00 51.12 H new ATOM 0 HD23 LEU A 56 -10.242 5.300 0.323 1.00 51.12 H new ATOM 860 N GLU A 57 -10.962 8.255 3.485 1.00 62.01 N ATOM 861 CA GLU A 57 -11.151 9.009 4.724 1.00 13.54 C ATOM 862 C GLU A 57 -9.910 8.895 5.620 1.00 73.30 C ATOM 863 O GLU A 57 -9.334 7.816 5.764 1.00 11.23 O ATOM 864 CB GLU A 57 -12.393 8.506 5.476 1.00 63.21 C ATOM 865 CG GLU A 57 -12.688 9.273 6.756 1.00 75.10 C ATOM 866 CD GLU A 57 -13.969 8.816 7.438 1.00 25.53 C ATOM 867 OE1 GLU A 57 -15.053 9.317 7.072 1.00 3.25 O ATOM 868 OE2 GLU A 57 -13.897 7.957 8.340 1.00 65.34 O ATOM 0 H GLU A 57 -11.204 7.266 3.553 1.00 62.01 H new ATOM 0 HA GLU A 57 -11.299 10.058 4.466 1.00 13.54 H new ATOM 0 HB2 GLU A 57 -13.258 8.573 4.816 1.00 63.21 H new ATOM 0 HB3 GLU A 57 -12.258 7.452 5.718 1.00 63.21 H new ATOM 0 HG2 GLU A 57 -11.853 9.154 7.446 1.00 75.10 H new ATOM 0 HG3 GLU A 57 -12.763 10.336 6.527 1.00 75.10 H new ATOM 875 N LYS A 58 -9.518 10.005 6.235 1.00 32.32 N ATOM 876 CA LYS A 58 -8.312 10.055 7.074 1.00 62.35 C ATOM 877 C LYS A 58 -8.436 9.148 8.317 1.00 74.42 C ATOM 878 O LYS A 58 -7.433 8.779 8.944 1.00 64.41 O ATOM 879 CB LYS A 58 -8.039 11.507 7.482 1.00 4.11 C ATOM 880 CG LYS A 58 -7.860 12.442 6.285 1.00 21.10 C ATOM 881 CD LYS A 58 -7.701 13.901 6.704 1.00 52.21 C ATOM 882 CE LYS A 58 -7.546 14.820 5.498 1.00 74.13 C ATOM 883 NZ LYS A 58 -7.394 16.243 5.897 1.00 73.40 N ATOM 0 H LYS A 58 -10.018 10.892 6.171 1.00 32.32 H new ATOM 0 HA LYS A 58 -7.472 9.676 6.492 1.00 62.35 H new ATOM 0 HB2 LYS A 58 -8.864 11.867 8.097 1.00 4.11 H new ATOM 0 HB3 LYS A 58 -7.142 11.542 8.100 1.00 4.11 H new ATOM 0 HG2 LYS A 58 -6.984 12.133 5.714 1.00 21.10 H new ATOM 0 HG3 LYS A 58 -8.721 12.349 5.623 1.00 21.10 H new ATOM 0 HD2 LYS A 58 -8.569 14.209 7.287 1.00 52.21 H new ATOM 0 HD3 LYS A 58 -6.830 14.001 7.352 1.00 52.21 H new ATOM 0 HE2 LYS A 58 -6.677 14.512 4.917 1.00 74.13 H new ATOM 0 HE3 LYS A 58 -8.416 14.717 4.849 1.00 74.13 H new ATOM 0 HZ1 LYS A 58 -7.973 16.842 5.274 1.00 73.40 H new ATOM 0 HZ2 LYS A 58 -7.707 16.363 6.882 1.00 73.40 H new ATOM 0 HZ3 LYS A 58 -6.395 16.522 5.815 1.00 73.40 H new ATOM 897 N SER A 59 -9.675 8.785 8.662 1.00 33.21 N ATOM 898 CA SER A 59 -9.940 7.884 9.795 1.00 53.51 C ATOM 899 C SER A 59 -9.957 6.408 9.363 1.00 5.25 C ATOM 900 O SER A 59 -9.921 5.503 10.200 1.00 43.13 O ATOM 901 CB SER A 59 -11.279 8.237 10.456 1.00 4.14 C ATOM 902 OG SER A 59 -11.621 7.303 11.469 1.00 15.21 O ATOM 0 H SER A 59 -10.513 9.100 8.174 1.00 33.21 H new ATOM 0 HA SER A 59 -9.129 8.019 10.510 1.00 53.51 H new ATOM 0 HB2 SER A 59 -11.221 9.237 10.886 1.00 4.14 H new ATOM 0 HB3 SER A 59 -12.064 8.260 9.700 1.00 4.14 H new ATOM 0 HG SER A 59 -11.043 6.515 11.396 1.00 15.21 H new ATOM 908 N ARG A 60 -10.004 6.165 8.056 1.00 50.23 N ATOM 909 CA ARG A 60 -10.059 4.798 7.527 1.00 5.32 C ATOM 910 C ARG A 60 -8.662 4.157 7.566 1.00 43.22 C ATOM 911 O ARG A 60 -7.680 4.772 7.160 1.00 33.03 O ATOM 912 CB ARG A 60 -10.634 4.815 6.093 1.00 41.32 C ATOM 913 CG ARG A 60 -11.288 3.502 5.644 1.00 71.41 C ATOM 914 CD ARG A 60 -10.277 2.422 5.273 1.00 3.10 C ATOM 915 NE ARG A 60 -10.932 1.166 4.912 1.00 14.20 N ATOM 916 CZ ARG A 60 -11.281 0.831 3.697 1.00 15.42 C ATOM 917 NH1 ARG A 60 -11.181 1.675 2.719 1.00 25.41 N ATOM 918 NH2 ARG A 60 -11.776 -0.342 3.471 1.00 42.41 N ATOM 0 H ARG A 60 -10.005 6.893 7.342 1.00 50.23 H new ATOM 0 HA ARG A 60 -10.718 4.194 8.150 1.00 5.32 H new ATOM 0 HB2 ARG A 60 -11.372 5.614 6.022 1.00 41.32 H new ATOM 0 HB3 ARG A 60 -9.831 5.060 5.398 1.00 41.32 H new ATOM 0 HG2 ARG A 60 -11.929 3.131 6.444 1.00 71.41 H new ATOM 0 HG3 ARG A 60 -11.931 3.699 4.786 1.00 71.41 H new ATOM 0 HD2 ARG A 60 -9.667 2.767 4.438 1.00 3.10 H new ATOM 0 HD3 ARG A 60 -9.602 2.252 6.112 1.00 3.10 H new ATOM 0 HE ARG A 60 -11.131 0.503 5.661 1.00 14.20 H new ATOM 0 HH11 ARG A 60 -10.826 2.616 2.891 1.00 25.41 H new ATOM 0 HH12 ARG A 60 -11.457 1.399 1.777 1.00 25.41 H new ATOM 0 HH21 ARG A 60 -11.893 -1.003 4.239 1.00 42.41 H new ATOM 0 HH22 ARG A 60 -12.049 -0.607 2.525 1.00 42.41 H new ATOM 932 N ASP A 61 -8.582 2.932 8.085 1.00 30.22 N ATOM 933 CA ASP A 61 -7.303 2.224 8.214 1.00 43.13 C ATOM 934 C ASP A 61 -6.655 1.955 6.843 1.00 21.14 C ATOM 935 O ASP A 61 -7.290 1.417 5.934 1.00 31.14 O ATOM 936 CB ASP A 61 -7.510 0.918 8.983 1.00 60.13 C ATOM 937 CG ASP A 61 -8.068 1.174 10.373 1.00 61.30 C ATOM 938 OD1 ASP A 61 -7.278 1.486 11.294 1.00 44.33 O ATOM 939 OD2 ASP A 61 -9.301 1.087 10.547 1.00 24.32 O ATOM 0 H ASP A 61 -9.388 2.406 8.424 1.00 30.22 H new ATOM 0 HA ASP A 61 -6.617 2.863 8.770 1.00 43.13 H new ATOM 0 HB2 ASP A 61 -8.192 0.272 8.429 1.00 60.13 H new ATOM 0 HB3 ASP A 61 -6.562 0.387 9.062 1.00 60.13 H new ATOM 944 N ILE A 62 -5.388 2.339 6.701 1.00 11.13 N ATOM 945 CA ILE A 62 -4.685 2.267 5.413 1.00 74.13 C ATOM 946 C ILE A 62 -3.332 1.532 5.524 1.00 45.23 C ATOM 947 O ILE A 62 -2.543 1.797 6.428 1.00 70.33 O ATOM 948 CB ILE A 62 -4.417 3.697 4.872 1.00 44.01 C ATOM 949 CG1 ILE A 62 -5.739 4.474 4.733 1.00 22.03 C ATOM 950 CG2 ILE A 62 -3.669 3.643 3.541 1.00 44.21 C ATOM 951 CD1 ILE A 62 -5.576 5.910 4.285 1.00 52.13 C ATOM 0 H ILE A 62 -4.821 2.706 7.465 1.00 11.13 H new ATOM 0 HA ILE A 62 -5.330 1.708 4.735 1.00 74.13 H new ATOM 0 HB ILE A 62 -3.785 4.224 5.587 1.00 44.01 H new ATOM 0 HG12 ILE A 62 -6.379 3.954 4.020 1.00 22.03 H new ATOM 0 HG13 ILE A 62 -6.256 4.462 5.693 1.00 22.03 H new ATOM 0 HG21 ILE A 62 -3.492 4.657 3.181 1.00 44.21 H new ATOM 0 HG22 ILE A 62 -2.714 3.136 3.681 1.00 44.21 H new ATOM 0 HG23 ILE A 62 -4.266 3.098 2.810 1.00 44.21 H new ATOM 0 HD11 ILE A 62 -6.556 6.382 4.213 1.00 52.13 H new ATOM 0 HD12 ILE A 62 -4.965 6.450 5.009 1.00 52.13 H new ATOM 0 HD13 ILE A 62 -5.090 5.934 3.310 1.00 52.13 H new ATOM 963 N TYR A 63 -3.075 0.615 4.593 1.00 5.22 N ATOM 964 CA TYR A 63 -1.764 -0.032 4.455 1.00 12.22 C ATOM 965 C TYR A 63 -1.128 0.340 3.106 1.00 14.22 C ATOM 966 O TYR A 63 -1.690 0.064 2.045 1.00 64.45 O ATOM 967 CB TYR A 63 -1.892 -1.559 4.564 1.00 71.04 C ATOM 968 CG TYR A 63 -2.244 -2.059 5.958 1.00 23.50 C ATOM 969 CD1 TYR A 63 -3.530 -1.927 6.462 1.00 22.33 C ATOM 970 CD2 TYR A 63 -1.287 -2.667 6.768 1.00 73.25 C ATOM 971 CE1 TYR A 63 -3.855 -2.385 7.726 1.00 41.43 C ATOM 972 CE2 TYR A 63 -1.609 -3.129 8.032 1.00 62.32 C ATOM 973 CZ TYR A 63 -2.895 -2.984 8.505 1.00 63.25 C ATOM 974 OH TYR A 63 -3.225 -3.446 9.762 1.00 41.02 O ATOM 0 H TYR A 63 -3.766 0.298 3.913 1.00 5.22 H new ATOM 0 HA TYR A 63 -1.125 0.322 5.264 1.00 12.22 H new ATOM 0 HB2 TYR A 63 -2.656 -1.899 3.865 1.00 71.04 H new ATOM 0 HB3 TYR A 63 -0.951 -2.014 4.254 1.00 71.04 H new ATOM 0 HD1 TYR A 63 -4.291 -1.458 5.856 1.00 22.33 H new ATOM 0 HD2 TYR A 63 -0.277 -2.780 6.403 1.00 73.25 H new ATOM 0 HE1 TYR A 63 -4.862 -2.272 8.100 1.00 41.43 H new ATOM 0 HE2 TYR A 63 -0.856 -3.601 8.645 1.00 62.32 H new ATOM 0 HH TYR A 63 -2.434 -3.844 10.182 1.00 41.02 H new ATOM 984 N VAL A 64 0.040 0.968 3.155 1.00 45.43 N ATOM 985 CA VAL A 64 0.726 1.439 1.946 1.00 15.15 C ATOM 986 C VAL A 64 1.947 0.573 1.610 1.00 32.15 C ATOM 987 O VAL A 64 2.724 0.218 2.496 1.00 25.02 O ATOM 988 CB VAL A 64 1.184 2.907 2.124 1.00 55.33 C ATOM 989 CG1 VAL A 64 1.994 3.385 0.922 1.00 74.34 C ATOM 990 CG2 VAL A 64 -0.018 3.819 2.368 1.00 63.53 C ATOM 0 H VAL A 64 0.539 1.167 4.022 1.00 45.43 H new ATOM 0 HA VAL A 64 0.013 1.367 1.124 1.00 15.15 H new ATOM 0 HB VAL A 64 1.833 2.952 2.998 1.00 55.33 H new ATOM 0 HG11 VAL A 64 2.301 4.419 1.078 1.00 74.34 H new ATOM 0 HG12 VAL A 64 2.878 2.758 0.806 1.00 74.34 H new ATOM 0 HG13 VAL A 64 1.383 3.320 0.022 1.00 74.34 H new ATOM 0 HG21 VAL A 64 0.324 4.847 2.491 1.00 63.53 H new ATOM 0 HG22 VAL A 64 -0.697 3.762 1.517 1.00 63.53 H new ATOM 0 HG23 VAL A 64 -0.540 3.500 3.270 1.00 63.53 H new ATOM 1000 N TYR A 65 2.119 0.240 0.326 1.00 21.31 N ATOM 1001 CA TYR A 65 3.300 -0.509 -0.112 1.00 73.42 C ATOM 1002 C TYR A 65 3.911 0.088 -1.393 1.00 63.53 C ATOM 1003 O TYR A 65 3.206 0.409 -2.357 1.00 73.43 O ATOM 1004 CB TYR A 65 2.961 -1.997 -0.310 1.00 70.35 C ATOM 1005 CG TYR A 65 2.186 -2.332 -1.577 1.00 61.20 C ATOM 1006 CD1 TYR A 65 0.872 -1.921 -1.763 1.00 44.33 C ATOM 1007 CD2 TYR A 65 2.781 -3.081 -2.585 1.00 63.44 C ATOM 1008 CE1 TYR A 65 0.177 -2.249 -2.916 1.00 70.43 C ATOM 1009 CE2 TYR A 65 2.096 -3.416 -3.735 1.00 31.01 C ATOM 1010 CZ TYR A 65 0.795 -2.998 -3.898 1.00 54.01 C ATOM 1011 OH TYR A 65 0.107 -3.336 -5.043 1.00 53.44 O ATOM 0 H TYR A 65 1.464 0.474 -0.420 1.00 21.31 H new ATOM 0 HA TYR A 65 4.049 -0.428 0.676 1.00 73.42 H new ATOM 0 HB2 TYR A 65 3.891 -2.566 -0.313 1.00 70.35 H new ATOM 0 HB3 TYR A 65 2.382 -2.337 0.549 1.00 70.35 H new ATOM 0 HD1 TYR A 65 0.384 -1.337 -0.997 1.00 44.33 H new ATOM 0 HD2 TYR A 65 3.803 -3.408 -2.466 1.00 63.44 H new ATOM 0 HE1 TYR A 65 -0.844 -1.920 -3.046 1.00 70.43 H new ATOM 0 HE2 TYR A 65 2.578 -4.003 -4.503 1.00 31.01 H new ATOM 0 HH TYR A 65 0.231 -2.636 -5.718 1.00 53.44 H new ATOM 1021 N GLY A 66 5.224 0.267 -1.367 1.00 13.22 N ATOM 1022 CA GLY A 66 5.969 0.712 -2.539 1.00 54.14 C ATOM 1023 C GLY A 66 6.874 -0.385 -3.091 1.00 1.15 C ATOM 1024 O GLY A 66 6.797 -1.537 -2.660 1.00 72.31 O ATOM 0 H GLY A 66 5.800 0.110 -0.540 1.00 13.22 H new ATOM 0 HA2 GLY A 66 5.271 1.030 -3.313 1.00 54.14 H new ATOM 0 HA3 GLY A 66 6.572 1.582 -2.277 1.00 54.14 H new ATOM 1028 N ALA A 67 7.733 -0.036 -4.048 1.00 45.14 N ATOM 1029 CA ALA A 67 8.713 -0.986 -4.589 1.00 34.41 C ATOM 1030 C ALA A 67 9.822 -1.272 -3.565 1.00 21.31 C ATOM 1031 O ALA A 67 10.418 -2.352 -3.553 1.00 61.03 O ATOM 1032 CB ALA A 67 9.308 -0.446 -5.887 1.00 51.23 C ATOM 0 H ALA A 67 7.773 0.894 -4.466 1.00 45.14 H new ATOM 0 HA ALA A 67 8.201 -1.925 -4.802 1.00 34.41 H new ATOM 0 HB1 ALA A 67 10.033 -1.159 -6.279 1.00 51.23 H new ATOM 0 HB2 ALA A 67 8.513 -0.298 -6.618 1.00 51.23 H new ATOM 0 HB3 ALA A 67 9.803 0.505 -5.692 1.00 51.23 H new ATOM 1038 N GLY A 68 10.078 -0.295 -2.696 1.00 71.52 N ATOM 1039 CA GLY A 68 11.107 -0.439 -1.671 1.00 2.41 C ATOM 1040 C GLY A 68 10.755 0.257 -0.359 1.00 13.44 C ATOM 1041 O GLY A 68 9.731 0.937 -0.258 1.00 53.23 O ATOM 0 H GLY A 68 9.589 0.600 -2.682 1.00 71.52 H new ATOM 0 HA2 GLY A 68 11.272 -1.499 -1.479 1.00 2.41 H new ATOM 0 HA3 GLY A 68 12.045 -0.033 -2.049 1.00 2.41 H new ATOM 1045 N ASP A 69 11.612 0.086 0.647 1.00 0.32 N ATOM 1046 CA ASP A 69 11.399 0.660 1.983 1.00 50.33 C ATOM 1047 C ASP A 69 11.208 2.191 1.937 1.00 65.55 C ATOM 1048 O ASP A 69 10.244 2.722 2.498 1.00 13.43 O ATOM 1049 CB ASP A 69 12.588 0.295 2.878 1.00 42.54 C ATOM 1050 CG ASP A 69 12.425 0.762 4.316 1.00 32.24 C ATOM 1051 OD1 ASP A 69 11.748 0.066 5.101 1.00 61.44 O ATOM 1052 OD2 ASP A 69 12.986 1.823 4.670 1.00 32.34 O ATOM 0 H ASP A 69 12.474 -0.453 0.563 1.00 0.32 H new ATOM 0 HA ASP A 69 10.480 0.241 2.392 1.00 50.33 H new ATOM 0 HB2 ASP A 69 12.723 -0.787 2.868 1.00 42.54 H new ATOM 0 HB3 ASP A 69 13.495 0.733 2.462 1.00 42.54 H new ATOM 1057 N GLU A 70 12.123 2.892 1.265 1.00 42.21 N ATOM 1058 CA GLU A 70 12.061 4.359 1.169 1.00 50.13 C ATOM 1059 C GLU A 70 10.732 4.840 0.561 1.00 20.51 C ATOM 1060 O GLU A 70 10.034 5.672 1.146 1.00 51.41 O ATOM 1061 CB GLU A 70 13.234 4.890 0.331 1.00 13.21 C ATOM 1062 CG GLU A 70 13.206 6.403 0.125 1.00 1.33 C ATOM 1063 CD GLU A 70 14.358 6.905 -0.732 1.00 74.31 C ATOM 1064 OE1 GLU A 70 14.323 6.711 -1.965 1.00 41.24 O ATOM 1065 OE2 GLU A 70 15.301 7.506 -0.180 1.00 74.43 O ATOM 0 H GLU A 70 12.916 2.473 0.779 1.00 42.21 H new ATOM 0 HA GLU A 70 12.128 4.752 2.184 1.00 50.13 H new ATOM 0 HB2 GLU A 70 14.170 4.616 0.818 1.00 13.21 H new ATOM 0 HB3 GLU A 70 13.225 4.399 -0.642 1.00 13.21 H new ATOM 0 HG2 GLU A 70 12.262 6.683 -0.343 1.00 1.33 H new ATOM 0 HG3 GLU A 70 13.240 6.897 1.096 1.00 1.33 H new ATOM 1072 N GLN A 71 10.381 4.299 -0.605 1.00 61.50 N ATOM 1073 CA GLN A 71 9.145 4.681 -1.299 1.00 75.34 C ATOM 1074 C GLN A 71 7.912 4.419 -0.422 1.00 1.42 C ATOM 1075 O GLN A 71 7.036 5.277 -0.281 1.00 35.04 O ATOM 1076 CB GLN A 71 9.026 3.907 -2.619 1.00 74.13 C ATOM 1077 CG GLN A 71 7.862 4.351 -3.498 1.00 22.22 C ATOM 1078 CD GLN A 71 7.870 3.677 -4.858 1.00 25.03 C ATOM 1079 OE1 GLN A 71 8.326 2.548 -5.002 1.00 22.42 O ATOM 1080 NE2 GLN A 71 7.369 4.361 -5.863 1.00 44.35 N ATOM 0 H GLN A 71 10.934 3.594 -1.092 1.00 61.50 H new ATOM 0 HA GLN A 71 9.189 5.750 -1.509 1.00 75.34 H new ATOM 0 HB2 GLN A 71 9.954 4.020 -3.179 1.00 74.13 H new ATOM 0 HB3 GLN A 71 8.915 2.846 -2.397 1.00 74.13 H new ATOM 0 HG2 GLN A 71 6.923 4.128 -2.991 1.00 22.22 H new ATOM 0 HG3 GLN A 71 7.904 5.432 -3.632 1.00 22.22 H new ATOM 0 HE21 GLN A 71 6.998 5.298 -5.707 1.00 44.35 H new ATOM 0 HE22 GLN A 71 7.351 3.954 -6.798 1.00 44.35 H new ATOM 1089 N THR A 72 7.866 3.228 0.168 1.00 35.22 N ATOM 1090 CA THR A 72 6.767 2.825 1.051 1.00 2.25 C ATOM 1091 C THR A 72 6.590 3.803 2.222 1.00 61.22 C ATOM 1092 O THR A 72 5.503 4.344 2.436 1.00 71.44 O ATOM 1093 CB THR A 72 7.012 1.405 1.625 1.00 64.24 C ATOM 1094 OG1 THR A 72 7.167 0.459 0.556 1.00 40.40 O ATOM 1095 CG2 THR A 72 5.869 0.965 2.529 1.00 53.03 C ATOM 0 H THR A 72 8.585 2.514 0.050 1.00 35.22 H new ATOM 0 HA THR A 72 5.861 2.829 0.445 1.00 2.25 H new ATOM 0 HB THR A 72 7.925 1.442 2.219 1.00 64.24 H new ATOM 0 HG1 THR A 72 8.061 0.550 0.166 1.00 40.40 H new ATOM 0 HG21 THR A 72 6.073 -0.034 2.914 1.00 53.03 H new ATOM 0 HG22 THR A 72 5.775 1.662 3.362 1.00 53.03 H new ATOM 0 HG23 THR A 72 4.939 0.951 1.960 1.00 53.03 H new ATOM 1103 N SER A 73 7.671 4.040 2.962 1.00 23.13 N ATOM 1104 CA SER A 73 7.619 4.883 4.166 1.00 14.40 C ATOM 1105 C SER A 73 7.351 6.359 3.832 1.00 32.15 C ATOM 1106 O SER A 73 6.616 7.041 4.554 1.00 44.31 O ATOM 1107 CB SER A 73 8.923 4.765 4.964 1.00 54.50 C ATOM 1108 OG SER A 73 8.862 5.525 6.162 1.00 33.53 O ATOM 0 H SER A 73 8.595 3.663 2.754 1.00 23.13 H new ATOM 0 HA SER A 73 6.787 4.520 4.769 1.00 14.40 H new ATOM 0 HB2 SER A 73 9.113 3.719 5.203 1.00 54.50 H new ATOM 0 HB3 SER A 73 9.758 5.109 4.354 1.00 54.50 H new ATOM 0 HG SER A 73 8.108 5.216 6.707 1.00 33.53 H new ATOM 1114 N GLN A 74 7.937 6.851 2.739 1.00 3.31 N ATOM 1115 CA GLN A 74 7.756 8.236 2.322 1.00 15.21 C ATOM 1116 C GLN A 74 6.285 8.524 1.981 1.00 63.40 C ATOM 1117 O GLN A 74 5.726 9.540 2.396 1.00 41.13 O ATOM 1118 CB GLN A 74 8.660 8.526 1.117 1.00 43.32 C ATOM 1119 CG GLN A 74 8.245 9.758 0.341 1.00 72.21 C ATOM 1120 CD GLN A 74 9.122 10.055 -0.871 1.00 43.14 C ATOM 1121 OE1 GLN A 74 9.312 11.208 -1.241 1.00 51.22 O ATOM 1122 NE2 GLN A 74 9.646 9.027 -1.509 1.00 5.22 N ATOM 0 H GLN A 74 8.543 6.305 2.126 1.00 3.31 H new ATOM 0 HA GLN A 74 8.034 8.892 3.147 1.00 15.21 H new ATOM 0 HB2 GLN A 74 9.686 8.651 1.463 1.00 43.32 H new ATOM 0 HB3 GLN A 74 8.652 7.664 0.449 1.00 43.32 H new ATOM 0 HG2 GLN A 74 7.214 9.635 0.009 1.00 72.21 H new ATOM 0 HG3 GLN A 74 8.264 10.619 1.009 1.00 72.21 H new ATOM 0 HE21 GLN A 74 9.471 8.078 -1.178 1.00 5.22 H new ATOM 0 HE22 GLN A 74 10.227 9.181 -2.333 1.00 5.22 H new ATOM 1131 N ALA A 75 5.665 7.620 1.227 1.00 33.30 N ATOM 1132 CA ALA A 75 4.248 7.744 0.878 1.00 21.33 C ATOM 1133 C ALA A 75 3.369 7.832 2.136 1.00 71.30 C ATOM 1134 O ALA A 75 2.508 8.705 2.257 1.00 21.11 O ATOM 1135 CB ALA A 75 3.832 6.561 0.018 1.00 0.32 C ATOM 0 H ALA A 75 6.120 6.791 0.844 1.00 33.30 H new ATOM 0 HA ALA A 75 4.108 8.667 0.315 1.00 21.33 H new ATOM 0 HB1 ALA A 75 2.777 6.653 -0.242 1.00 0.32 H new ATOM 0 HB2 ALA A 75 4.430 6.545 -0.893 1.00 0.32 H new ATOM 0 HB3 ALA A 75 3.990 5.635 0.572 1.00 0.32 H new ATOM 1141 N VAL A 76 3.598 6.916 3.074 1.00 61.55 N ATOM 1142 CA VAL A 76 2.910 6.940 4.371 1.00 52.10 C ATOM 1143 C VAL A 76 3.062 8.303 5.069 1.00 60.33 C ATOM 1144 O VAL A 76 2.113 8.815 5.675 1.00 25.15 O ATOM 1145 CB VAL A 76 3.448 5.818 5.292 1.00 23.04 C ATOM 1146 CG1 VAL A 76 2.880 5.926 6.707 1.00 22.35 C ATOM 1147 CG2 VAL A 76 3.136 4.453 4.690 1.00 53.22 C ATOM 0 H VAL A 76 4.256 6.144 2.964 1.00 61.55 H new ATOM 0 HA VAL A 76 1.850 6.772 4.180 1.00 52.10 H new ATOM 0 HB VAL A 76 4.529 5.935 5.367 1.00 23.04 H new ATOM 0 HG11 VAL A 76 3.281 5.121 7.323 1.00 22.35 H new ATOM 0 HG12 VAL A 76 3.159 6.887 7.139 1.00 22.35 H new ATOM 0 HG13 VAL A 76 1.793 5.847 6.670 1.00 22.35 H new ATOM 0 HG21 VAL A 76 3.518 3.670 5.345 1.00 53.22 H new ATOM 0 HG22 VAL A 76 2.057 4.341 4.582 1.00 53.22 H new ATOM 0 HG23 VAL A 76 3.609 4.370 3.711 1.00 53.22 H new ATOM 1157 N ASN A 77 4.256 8.889 4.969 1.00 13.34 N ATOM 1158 CA ASN A 77 4.514 10.227 5.517 1.00 35.03 C ATOM 1159 C ASN A 77 3.596 11.263 4.858 1.00 74.13 C ATOM 1160 O ASN A 77 2.947 12.060 5.532 1.00 50.04 O ATOM 1161 CB ASN A 77 5.973 10.624 5.272 1.00 10.42 C ATOM 1162 CG ASN A 77 6.399 11.830 6.090 1.00 25.31 C ATOM 1163 OD1 ASN A 77 5.948 12.026 7.214 1.00 23.52 O ATOM 1164 ND2 ASN A 77 7.260 12.655 5.533 1.00 64.25 N ATOM 0 H ASN A 77 5.062 8.460 4.514 1.00 13.34 H new ATOM 0 HA ASN A 77 4.316 10.200 6.589 1.00 35.03 H new ATOM 0 HB2 ASN A 77 6.620 9.780 5.513 1.00 10.42 H new ATOM 0 HB3 ASN A 77 6.113 10.841 4.213 1.00 10.42 H new ATOM 0 HD21 ASN A 77 7.571 13.485 6.038 1.00 64.25 H new ATOM 0 HD22 ASN A 77 7.617 12.464 4.597 1.00 64.25 H new ATOM 1171 N LEU A 78 3.551 11.218 3.531 1.00 74.12 N ATOM 1172 CA LEU A 78 2.740 12.137 2.727 1.00 41.11 C ATOM 1173 C LEU A 78 1.248 12.061 3.094 1.00 64.45 C ATOM 1174 O LEU A 78 0.544 13.074 3.097 1.00 70.43 O ATOM 1175 CB LEU A 78 2.951 11.818 1.244 1.00 53.10 C ATOM 1176 CG LEU A 78 4.399 11.996 0.760 1.00 42.14 C ATOM 1177 CD1 LEU A 78 4.618 11.294 -0.574 1.00 43.32 C ATOM 1178 CD2 LEU A 78 4.761 13.477 0.658 1.00 70.13 C ATOM 0 H LEU A 78 4.077 10.542 2.977 1.00 74.12 H new ATOM 0 HA LEU A 78 3.062 13.157 2.936 1.00 41.11 H new ATOM 0 HB2 LEU A 78 2.642 10.790 1.058 1.00 53.10 H new ATOM 0 HB3 LEU A 78 2.300 12.459 0.650 1.00 53.10 H new ATOM 0 HG LEU A 78 5.058 11.535 1.496 1.00 42.14 H new ATOM 0 HD11 LEU A 78 5.650 11.435 -0.894 1.00 43.32 H new ATOM 0 HD12 LEU A 78 4.415 10.229 -0.462 1.00 43.32 H new ATOM 0 HD13 LEU A 78 3.945 11.715 -1.321 1.00 43.32 H new ATOM 0 HD21 LEU A 78 5.790 13.577 0.314 1.00 70.13 H new ATOM 0 HD22 LEU A 78 4.092 13.967 -0.050 1.00 70.13 H new ATOM 0 HD23 LEU A 78 4.659 13.945 1.637 1.00 70.13 H new ATOM 1190 N LEU A 79 0.769 10.858 3.406 1.00 25.50 N ATOM 1191 CA LEU A 79 -0.616 10.675 3.847 1.00 11.14 C ATOM 1192 C LEU A 79 -0.876 11.343 5.206 1.00 73.52 C ATOM 1193 O LEU A 79 -1.810 12.132 5.348 1.00 43.44 O ATOM 1194 CB LEU A 79 -0.971 9.184 3.915 1.00 72.42 C ATOM 1195 CG LEU A 79 -1.152 8.500 2.552 1.00 73.32 C ATOM 1196 CD1 LEU A 79 -1.449 7.016 2.724 1.00 51.53 C ATOM 1197 CD2 LEU A 79 -2.259 9.184 1.754 1.00 4.52 C ATOM 0 H LEU A 79 1.315 9.998 3.362 1.00 25.50 H new ATOM 0 HA LEU A 79 -1.256 11.159 3.109 1.00 11.14 H new ATOM 0 HB2 LEU A 79 -0.187 8.663 4.465 1.00 72.42 H new ATOM 0 HB3 LEU A 79 -1.892 9.070 4.487 1.00 72.42 H new ATOM 0 HG LEU A 79 -0.219 8.594 1.996 1.00 73.32 H new ATOM 0 HD11 LEU A 79 -1.573 6.554 1.745 1.00 51.53 H new ATOM 0 HD12 LEU A 79 -0.622 6.538 3.249 1.00 51.53 H new ATOM 0 HD13 LEU A 79 -2.365 6.893 3.302 1.00 51.53 H new ATOM 0 HD21 LEU A 79 -2.374 8.687 0.791 1.00 4.52 H new ATOM 0 HD22 LEU A 79 -3.196 9.124 2.307 1.00 4.52 H new ATOM 0 HD23 LEU A 79 -1.998 10.230 1.593 1.00 4.52 H new ATOM 1209 N ARG A 80 -0.055 11.038 6.209 1.00 55.12 N ATOM 1210 CA ARG A 80 -0.248 11.632 7.538 1.00 64.50 C ATOM 1211 C ARG A 80 0.053 13.140 7.535 1.00 52.13 C ATOM 1212 O ARG A 80 -0.483 13.881 8.357 1.00 32.32 O ATOM 1213 CB ARG A 80 0.575 10.899 8.606 1.00 34.13 C ATOM 1214 CG ARG A 80 2.059 10.767 8.290 1.00 12.34 C ATOM 1215 CD ARG A 80 2.730 9.772 9.230 1.00 63.13 C ATOM 1216 NE ARG A 80 2.023 8.489 9.238 1.00 12.54 N ATOM 1217 CZ ARG A 80 2.427 7.429 9.874 1.00 12.34 C ATOM 1218 NH1 ARG A 80 3.518 7.451 10.568 1.00 31.34 N ATOM 1219 NH2 ARG A 80 1.732 6.341 9.823 1.00 33.32 N ATOM 0 H ARG A 80 0.735 10.397 6.135 1.00 55.12 H new ATOM 0 HA ARG A 80 -1.300 11.512 7.795 1.00 64.50 H new ATOM 0 HB2 ARG A 80 0.465 11.426 9.554 1.00 34.13 H new ATOM 0 HB3 ARG A 80 0.157 9.902 8.745 1.00 34.13 H new ATOM 0 HG2 ARG A 80 2.187 10.441 7.258 1.00 12.34 H new ATOM 0 HG3 ARG A 80 2.542 11.740 8.380 1.00 12.34 H new ATOM 0 HD2 ARG A 80 3.764 9.618 8.922 1.00 63.13 H new ATOM 0 HD3 ARG A 80 2.755 10.182 10.240 1.00 63.13 H new ATOM 0 HE ARG A 80 1.154 8.422 8.708 1.00 12.54 H new ATOM 0 HH11 ARG A 80 4.072 8.306 10.621 1.00 31.34 H new ATOM 0 HH12 ARG A 80 3.825 6.613 11.063 1.00 31.34 H new ATOM 0 HH21 ARG A 80 0.867 6.313 9.284 1.00 33.32 H new ATOM 0 HH22 ARG A 80 2.049 5.510 10.322 1.00 33.32 H new ATOM 1233 N SER A 81 0.897 13.601 6.603 1.00 63.12 N ATOM 1234 CA SER A 81 1.075 15.049 6.391 1.00 25.05 C ATOM 1235 C SER A 81 -0.158 15.656 5.706 1.00 42.03 C ATOM 1236 O SER A 81 -0.402 16.859 5.796 1.00 41.33 O ATOM 1237 CB SER A 81 2.336 15.349 5.565 1.00 51.41 C ATOM 1238 OG SER A 81 2.297 14.731 4.288 1.00 44.32 O ATOM 0 H SER A 81 1.459 13.008 5.993 1.00 63.12 H new ATOM 0 HA SER A 81 1.196 15.507 7.373 1.00 25.05 H new ATOM 0 HB2 SER A 81 2.441 16.427 5.443 1.00 51.41 H new ATOM 0 HB3 SER A 81 3.215 15.003 6.108 1.00 51.41 H new ATOM 0 HG SER A 81 1.425 14.303 4.158 1.00 44.32 H new ATOM 1244 N ALA A 82 -0.929 14.812 5.012 1.00 12.44 N ATOM 1245 CA ALA A 82 -2.218 15.223 4.433 1.00 44.21 C ATOM 1246 C ALA A 82 -3.343 15.150 5.482 1.00 22.14 C ATOM 1247 O ALA A 82 -4.471 15.589 5.240 1.00 73.35 O ATOM 1248 CB ALA A 82 -2.565 14.355 3.222 1.00 20.02 C ATOM 0 H ALA A 82 -0.684 13.838 4.836 1.00 12.44 H new ATOM 0 HA ALA A 82 -2.124 16.258 4.105 1.00 44.21 H new ATOM 0 HB1 ALA A 82 -3.521 14.674 2.808 1.00 20.02 H new ATOM 0 HB2 ALA A 82 -1.788 14.460 2.465 1.00 20.02 H new ATOM 0 HB3 ALA A 82 -2.633 13.312 3.530 1.00 20.02 H new ATOM 1254 N GLY A 83 -3.026 14.580 6.648 1.00 52.01 N ATOM 1255 CA GLY A 83 -3.988 14.497 7.745 1.00 41.02 C ATOM 1256 C GLY A 83 -4.468 13.076 8.046 1.00 40.54 C ATOM 1257 O GLY A 83 -5.221 12.861 8.998 1.00 33.33 O ATOM 0 H GLY A 83 -2.114 14.172 6.854 1.00 52.01 H new ATOM 0 HA2 GLY A 83 -3.535 14.914 8.644 1.00 41.02 H new ATOM 0 HA3 GLY A 83 -4.851 15.118 7.505 1.00 41.02 H new ATOM 1261 N PHE A 84 -4.041 12.102 7.240 1.00 12.52 N ATOM 1262 CA PHE A 84 -4.459 10.704 7.427 1.00 4.40 C ATOM 1263 C PHE A 84 -3.933 10.111 8.746 1.00 72.13 C ATOM 1264 O PHE A 84 -2.729 9.921 8.926 1.00 4.42 O ATOM 1265 CB PHE A 84 -4.011 9.840 6.241 1.00 54.50 C ATOM 1266 CG PHE A 84 -4.786 10.105 4.976 1.00 62.43 C ATOM 1267 CD1 PHE A 84 -4.408 11.119 4.107 1.00 41.50 C ATOM 1268 CD2 PHE A 84 -5.896 9.338 4.654 1.00 64.03 C ATOM 1269 CE1 PHE A 84 -5.118 11.359 2.951 1.00 74.11 C ATOM 1270 CE2 PHE A 84 -6.610 9.576 3.498 1.00 60.02 C ATOM 1271 CZ PHE A 84 -6.222 10.588 2.647 1.00 32.34 C ATOM 0 H PHE A 84 -3.409 12.251 6.454 1.00 12.52 H new ATOM 0 HA PHE A 84 -5.548 10.702 7.478 1.00 4.40 H new ATOM 0 HB2 PHE A 84 -2.952 10.017 6.053 1.00 54.50 H new ATOM 0 HB3 PHE A 84 -4.116 8.788 6.508 1.00 54.50 H new ATOM 0 HD1 PHE A 84 -3.547 11.727 4.340 1.00 41.50 H new ATOM 0 HD2 PHE A 84 -6.205 8.544 5.317 1.00 64.03 H new ATOM 0 HE1 PHE A 84 -4.811 12.150 2.283 1.00 74.11 H new ATOM 0 HE2 PHE A 84 -7.472 8.970 3.260 1.00 60.02 H new ATOM 0 HZ PHE A 84 -6.781 10.778 1.743 1.00 32.34 H new ATOM 1281 N GLU A 85 -4.858 9.816 9.658 1.00 43.21 N ATOM 1282 CA GLU A 85 -4.526 9.253 10.971 1.00 22.51 C ATOM 1283 C GLU A 85 -4.136 7.770 10.876 1.00 0.24 C ATOM 1284 O GLU A 85 -3.086 7.353 11.369 1.00 40.22 O ATOM 1285 CB GLU A 85 -5.732 9.402 11.914 1.00 61.33 C ATOM 1286 CG GLU A 85 -6.110 10.847 12.222 1.00 63.24 C ATOM 1287 CD GLU A 85 -7.345 10.944 13.103 1.00 60.12 C ATOM 1288 OE1 GLU A 85 -7.209 10.829 14.339 1.00 5.30 O ATOM 1289 OE2 GLU A 85 -8.460 11.113 12.564 1.00 21.31 O ATOM 0 H GLU A 85 -5.857 9.959 9.511 1.00 43.21 H new ATOM 0 HA GLU A 85 -3.669 9.802 11.361 1.00 22.51 H new ATOM 0 HB2 GLU A 85 -6.591 8.900 11.469 1.00 61.33 H new ATOM 0 HB3 GLU A 85 -5.513 8.888 12.850 1.00 61.33 H new ATOM 0 HG2 GLU A 85 -5.274 11.342 12.716 1.00 63.24 H new ATOM 0 HG3 GLU A 85 -6.289 11.380 11.288 1.00 63.24 H new ATOM 1296 N HIS A 86 -4.989 6.974 10.236 1.00 45.35 N ATOM 1297 CA HIS A 86 -4.818 5.514 10.215 1.00 31.45 C ATOM 1298 C HIS A 86 -4.024 5.036 8.987 1.00 1.31 C ATOM 1299 O HIS A 86 -4.606 4.614 7.990 1.00 43.43 O ATOM 1300 CB HIS A 86 -6.190 4.826 10.253 1.00 13.35 C ATOM 1301 CG HIS A 86 -7.013 5.168 11.460 1.00 31.40 C ATOM 1302 ND1 HIS A 86 -7.526 4.220 12.317 1.00 64.53 N ATOM 1303 CD2 HIS A 86 -7.417 6.364 11.950 1.00 10.32 C ATOM 1304 CE1 HIS A 86 -8.205 4.818 13.275 1.00 22.13 C ATOM 1305 NE2 HIS A 86 -8.154 6.116 13.077 1.00 62.34 N ATOM 0 H HIS A 86 -5.805 7.309 9.725 1.00 45.35 H new ATOM 0 HA HIS A 86 -4.243 5.241 11.100 1.00 31.45 H new ATOM 0 HB2 HIS A 86 -6.747 5.100 9.357 1.00 13.35 H new ATOM 0 HB3 HIS A 86 -6.044 3.746 10.220 1.00 13.35 H new ATOM 0 HD1 HIS A 86 -7.400 3.212 12.225 1.00 64.53 H new ATOM 0 HD2 HIS A 86 -7.198 7.334 11.529 1.00 10.32 H new ATOM 0 HE1 HIS A 86 -8.718 4.324 14.087 1.00 22.13 H new ATOM 1314 N VAL A 87 -2.693 5.114 9.058 1.00 61.31 N ATOM 1315 CA VAL A 87 -1.830 4.653 7.957 1.00 44.44 C ATOM 1316 C VAL A 87 -0.621 3.860 8.487 1.00 33.02 C ATOM 1317 O VAL A 87 0.045 4.289 9.431 1.00 54.15 O ATOM 1318 CB VAL A 87 -1.306 5.836 7.098 1.00 14.42 C ATOM 1319 CG1 VAL A 87 -0.537 5.324 5.881 1.00 73.14 C ATOM 1320 CG2 VAL A 87 -2.444 6.758 6.667 1.00 75.53 C ATOM 0 H VAL A 87 -2.187 5.489 9.860 1.00 61.31 H new ATOM 0 HA VAL A 87 -2.450 4.007 7.335 1.00 44.44 H new ATOM 0 HB VAL A 87 -0.623 6.417 7.718 1.00 14.42 H new ATOM 0 HG11 VAL A 87 -0.179 6.170 5.294 1.00 73.14 H new ATOM 0 HG12 VAL A 87 0.313 4.727 6.212 1.00 73.14 H new ATOM 0 HG13 VAL A 87 -1.195 4.709 5.267 1.00 73.14 H new ATOM 0 HG21 VAL A 87 -2.043 7.575 6.068 1.00 75.53 H new ATOM 0 HG22 VAL A 87 -3.165 6.194 6.075 1.00 75.53 H new ATOM 0 HG23 VAL A 87 -2.938 7.164 7.550 1.00 75.53 H new ATOM 1330 N SER A 88 -0.342 2.713 7.871 1.00 1.02 N ATOM 1331 CA SER A 88 0.813 1.880 8.247 1.00 11.24 C ATOM 1332 C SER A 88 1.678 1.560 7.017 1.00 23.04 C ATOM 1333 O SER A 88 1.158 1.341 5.920 1.00 41.45 O ATOM 1334 CB SER A 88 0.342 0.573 8.908 1.00 32.33 C ATOM 1335 OG SER A 88 1.437 -0.198 9.383 1.00 31.22 O ATOM 0 H SER A 88 -0.899 2.333 7.106 1.00 1.02 H new ATOM 0 HA SER A 88 1.415 2.442 8.961 1.00 11.24 H new ATOM 0 HB2 SER A 88 -0.327 0.804 9.737 1.00 32.33 H new ATOM 0 HB3 SER A 88 -0.231 -0.013 8.189 1.00 32.33 H new ATOM 0 HG SER A 88 1.180 -1.143 9.419 1.00 31.22 H new ATOM 1341 N GLU A 89 2.999 1.548 7.201 1.00 54.01 N ATOM 1342 CA GLU A 89 3.934 1.258 6.104 1.00 52.41 C ATOM 1343 C GLU A 89 4.281 -0.238 6.035 1.00 20.20 C ATOM 1344 O GLU A 89 4.696 -0.844 7.026 1.00 12.23 O ATOM 1345 CB GLU A 89 5.211 2.116 6.241 1.00 54.42 C ATOM 1346 CG GLU A 89 5.809 2.141 7.643 1.00 34.22 C ATOM 1347 CD GLU A 89 6.956 3.134 7.775 1.00 22.03 C ATOM 1348 OE1 GLU A 89 6.690 4.352 7.880 1.00 74.33 O ATOM 1349 OE2 GLU A 89 8.130 2.707 7.789 1.00 42.13 O ATOM 0 H GLU A 89 3.449 1.735 8.097 1.00 54.01 H new ATOM 0 HA GLU A 89 3.440 1.519 5.168 1.00 52.41 H new ATOM 0 HB2 GLU A 89 5.962 1.740 5.546 1.00 54.42 H new ATOM 0 HB3 GLU A 89 4.981 3.138 5.940 1.00 54.42 H new ATOM 0 HG2 GLU A 89 5.030 2.395 8.362 1.00 34.22 H new ATOM 0 HG3 GLU A 89 6.166 1.144 7.899 1.00 34.22 H new ATOM 1356 N LEU A 90 4.092 -0.832 4.856 1.00 44.14 N ATOM 1357 CA LEU A 90 4.337 -2.263 4.657 1.00 34.24 C ATOM 1358 C LEU A 90 5.829 -2.554 4.423 1.00 23.31 C ATOM 1359 O LEU A 90 6.442 -2.016 3.500 1.00 74.15 O ATOM 1360 CB LEU A 90 3.516 -2.776 3.465 1.00 63.02 C ATOM 1361 CG LEU A 90 3.446 -4.306 3.324 1.00 24.10 C ATOM 1362 CD1 LEU A 90 2.648 -4.911 4.474 1.00 23.21 C ATOM 1363 CD2 LEU A 90 2.846 -4.706 1.978 1.00 12.21 C ATOM 0 H LEU A 90 3.769 -0.343 4.021 1.00 44.14 H new ATOM 0 HA LEU A 90 4.030 -2.782 5.565 1.00 34.24 H new ATOM 0 HB2 LEU A 90 2.501 -2.389 3.551 1.00 63.02 H new ATOM 0 HB3 LEU A 90 3.938 -2.362 2.549 1.00 63.02 H new ATOM 0 HG LEU A 90 4.462 -4.698 3.366 1.00 24.10 H new ATOM 0 HD11 LEU A 90 2.608 -5.994 4.359 1.00 23.21 H new ATOM 0 HD12 LEU A 90 3.129 -4.664 5.420 1.00 23.21 H new ATOM 0 HD13 LEU A 90 1.635 -4.508 4.466 1.00 23.21 H new ATOM 0 HD21 LEU A 90 2.808 -5.793 1.905 1.00 12.21 H new ATOM 0 HD22 LEU A 90 1.837 -4.302 1.895 1.00 12.21 H new ATOM 0 HD23 LEU A 90 3.464 -4.309 1.172 1.00 12.21 H new ATOM 1375 N LYS A 91 6.407 -3.414 5.257 1.00 62.14 N ATOM 1376 CA LYS A 91 7.815 -3.795 5.118 1.00 43.22 C ATOM 1377 C LYS A 91 8.019 -4.766 3.945 1.00 23.40 C ATOM 1378 O LYS A 91 7.139 -5.572 3.629 1.00 63.31 O ATOM 1379 CB LYS A 91 8.329 -4.432 6.416 1.00 60.13 C ATOM 1380 CG LYS A 91 8.188 -3.532 7.639 1.00 33.34 C ATOM 1381 CD LYS A 91 8.970 -4.079 8.828 1.00 64.40 C ATOM 1382 CE LYS A 91 10.470 -4.102 8.544 1.00 63.10 C ATOM 1383 NZ LYS A 91 11.243 -4.700 9.660 1.00 74.32 N ATOM 0 H LYS A 91 5.925 -3.862 6.037 1.00 62.14 H new ATOM 0 HA LYS A 91 8.383 -2.888 4.914 1.00 43.22 H new ATOM 0 HB2 LYS A 91 7.786 -5.360 6.595 1.00 60.13 H new ATOM 0 HB3 LYS A 91 9.379 -4.696 6.290 1.00 60.13 H new ATOM 0 HG2 LYS A 91 8.544 -2.530 7.398 1.00 33.34 H new ATOM 0 HG3 LYS A 91 7.135 -3.441 7.906 1.00 33.34 H new ATOM 0 HD2 LYS A 91 8.774 -3.466 9.708 1.00 64.40 H new ATOM 0 HD3 LYS A 91 8.626 -5.087 9.059 1.00 64.40 H new ATOM 0 HE2 LYS A 91 10.656 -4.668 7.631 1.00 63.10 H new ATOM 0 HE3 LYS A 91 10.820 -3.085 8.366 1.00 63.10 H new ATOM 0 HZ1 LYS A 91 12.256 -4.695 9.423 1.00 74.32 H new ATOM 0 HZ2 LYS A 91 11.087 -4.146 10.526 1.00 74.32 H new ATOM 0 HZ3 LYS A 91 10.929 -5.679 9.814 1.00 74.32 H new ATOM 1397 N GLY A 92 9.183 -4.685 3.305 1.00 2.24 N ATOM 1398 CA GLY A 92 9.489 -5.562 2.178 1.00 71.01 C ATOM 1399 C GLY A 92 8.892 -5.075 0.860 1.00 3.44 C ATOM 1400 O GLY A 92 9.619 -4.667 -0.051 1.00 23.15 O ATOM 0 H GLY A 92 9.924 -4.027 3.545 1.00 2.24 H new ATOM 0 HA2 GLY A 92 10.571 -5.643 2.072 1.00 71.01 H new ATOM 0 HA3 GLY A 92 9.114 -6.563 2.392 1.00 71.01 H new ATOM 1404 N GLY A 93 7.567 -5.130 0.749 1.00 12.15 N ATOM 1405 CA GLY A 93 6.890 -4.695 -0.472 1.00 51.44 C ATOM 1406 C GLY A 93 6.232 -5.840 -1.239 1.00 62.23 C ATOM 1407 O GLY A 93 5.842 -6.852 -0.649 1.00 0.43 O ATOM 0 H GLY A 93 6.944 -5.468 1.483 1.00 12.15 H new ATOM 0 HA2 GLY A 93 6.131 -3.956 -0.215 1.00 51.44 H new ATOM 0 HA3 GLY A 93 7.611 -4.199 -1.122 1.00 51.44 H new ATOM 1411 N LEU A 94 6.125 -5.690 -2.561 1.00 12.20 N ATOM 1412 CA LEU A 94 5.425 -6.670 -3.406 1.00 65.12 C ATOM 1413 C LEU A 94 6.164 -8.020 -3.473 1.00 63.24 C ATOM 1414 O LEU A 94 5.554 -9.078 -3.320 1.00 4.00 O ATOM 1415 CB LEU A 94 5.237 -6.112 -4.825 1.00 14.44 C ATOM 1416 CG LEU A 94 4.378 -6.981 -5.762 1.00 12.22 C ATOM 1417 CD1 LEU A 94 2.932 -7.044 -5.270 1.00 52.11 C ATOM 1418 CD2 LEU A 94 4.441 -6.457 -7.194 1.00 1.34 C ATOM 0 H LEU A 94 6.514 -4.899 -3.074 1.00 12.20 H new ATOM 0 HA LEU A 94 4.452 -6.849 -2.947 1.00 65.12 H new ATOM 0 HB2 LEU A 94 4.782 -5.124 -4.753 1.00 14.44 H new ATOM 0 HB3 LEU A 94 6.219 -5.978 -5.279 1.00 14.44 H new ATOM 0 HG LEU A 94 4.783 -7.993 -5.753 1.00 12.22 H new ATOM 0 HD11 LEU A 94 2.344 -7.663 -5.947 1.00 52.11 H new ATOM 0 HD12 LEU A 94 2.907 -7.476 -4.269 1.00 52.11 H new ATOM 0 HD13 LEU A 94 2.513 -6.038 -5.242 1.00 52.11 H new ATOM 0 HD21 LEU A 94 3.827 -7.086 -7.839 1.00 1.34 H new ATOM 0 HD22 LEU A 94 4.068 -5.433 -7.224 1.00 1.34 H new ATOM 0 HD23 LEU A 94 5.473 -6.477 -7.544 1.00 1.34 H new ATOM 1430 N ALA A 95 7.474 -7.982 -3.709 1.00 1.45 N ATOM 1431 CA ALA A 95 8.277 -9.214 -3.780 1.00 62.22 C ATOM 1432 C ALA A 95 8.200 -10.018 -2.468 1.00 24.35 C ATOM 1433 O ALA A 95 8.192 -11.252 -2.486 1.00 2.51 O ATOM 1434 CB ALA A 95 9.727 -8.887 -4.126 1.00 23.43 C ATOM 0 H ALA A 95 8.004 -7.122 -3.854 1.00 1.45 H new ATOM 0 HA ALA A 95 7.860 -9.836 -4.572 1.00 62.22 H new ATOM 0 HB1 ALA A 95 10.306 -9.809 -4.174 1.00 23.43 H new ATOM 0 HB2 ALA A 95 9.766 -8.383 -5.092 1.00 23.43 H new ATOM 0 HB3 ALA A 95 10.146 -8.235 -3.359 1.00 23.43 H new ATOM 1440 N ALA A 96 8.144 -9.314 -1.335 1.00 15.33 N ATOM 1441 CA ALA A 96 7.930 -9.953 -0.027 1.00 52.24 C ATOM 1442 C ALA A 96 6.524 -10.567 0.053 1.00 33.03 C ATOM 1443 O ALA A 96 6.346 -11.697 0.519 1.00 32.24 O ATOM 1444 CB ALA A 96 8.139 -8.943 1.099 1.00 14.23 C ATOM 0 H ALA A 96 8.244 -8.300 -1.293 1.00 15.33 H new ATOM 0 HA ALA A 96 8.659 -10.755 0.088 1.00 52.24 H new ATOM 0 HB1 ALA A 96 7.977 -9.431 2.060 1.00 14.23 H new ATOM 0 HB2 ALA A 96 9.157 -8.555 1.056 1.00 14.23 H new ATOM 0 HB3 ALA A 96 7.432 -8.121 0.986 1.00 14.23 H new ATOM 1450 N TRP A 97 5.533 -9.815 -0.421 1.00 13.13 N ATOM 1451 CA TRP A 97 4.155 -10.307 -0.528 1.00 52.31 C ATOM 1452 C TRP A 97 4.099 -11.612 -1.343 1.00 55.33 C ATOM 1453 O TRP A 97 3.324 -12.521 -1.043 1.00 73.43 O ATOM 1454 CB TRP A 97 3.281 -9.231 -1.185 1.00 2.24 C ATOM 1455 CG TRP A 97 1.836 -9.609 -1.293 1.00 2.30 C ATOM 1456 CD1 TRP A 97 1.220 -10.224 -2.344 1.00 42.00 C ATOM 1457 CD2 TRP A 97 0.825 -9.388 -0.311 1.00 24.14 C ATOM 1458 NE1 TRP A 97 -0.111 -10.409 -2.067 1.00 12.21 N ATOM 1459 CE2 TRP A 97 -0.379 -9.900 -0.828 1.00 25.15 C ATOM 1460 CE3 TRP A 97 0.822 -8.807 0.957 1.00 33.34 C ATOM 1461 CZ2 TRP A 97 -1.572 -9.848 -0.121 1.00 0.24 C ATOM 1462 CZ3 TRP A 97 -0.363 -8.756 1.657 1.00 21.13 C ATOM 1463 CH2 TRP A 97 -1.545 -9.273 1.118 1.00 50.00 C ATOM 0 H TRP A 97 5.657 -8.854 -0.740 1.00 13.13 H new ATOM 0 HA TRP A 97 3.778 -10.521 0.472 1.00 52.31 H new ATOM 0 HB2 TRP A 97 3.364 -8.308 -0.610 1.00 2.24 H new ATOM 0 HB3 TRP A 97 3.668 -9.021 -2.182 1.00 2.24 H new ATOM 0 HD1 TRP A 97 1.709 -10.522 -3.260 1.00 42.00 H new ATOM 0 HE1 TRP A 97 -0.789 -10.854 -2.685 1.00 12.21 H new ATOM 0 HE3 TRP A 97 1.730 -8.405 1.381 1.00 33.34 H new ATOM 0 HZ2 TRP A 97 -2.487 -10.247 -0.534 1.00 0.24 H new ATOM 0 HZ3 TRP A 97 -0.380 -8.309 2.640 1.00 21.13 H new ATOM 0 HH2 TRP A 97 -2.457 -9.217 1.694 1.00 50.00 H new ATOM 1474 N LYS A 98 4.929 -11.696 -2.376 1.00 3.41 N ATOM 1475 CA LYS A 98 5.037 -12.915 -3.184 1.00 31.44 C ATOM 1476 C LYS A 98 5.868 -13.993 -2.463 1.00 24.51 C ATOM 1477 O LYS A 98 5.590 -15.187 -2.580 1.00 72.40 O ATOM 1478 CB LYS A 98 5.662 -12.592 -4.547 1.00 5.54 C ATOM 1479 CG LYS A 98 4.832 -11.641 -5.398 1.00 42.11 C ATOM 1480 CD LYS A 98 5.420 -11.500 -6.797 1.00 31.24 C ATOM 1481 CE LYS A 98 4.509 -10.701 -7.712 1.00 63.51 C ATOM 1482 NZ LYS A 98 4.985 -10.703 -9.122 1.00 25.41 N ATOM 0 H LYS A 98 5.539 -10.937 -2.678 1.00 3.41 H new ATOM 0 HA LYS A 98 4.032 -13.309 -3.334 1.00 31.44 H new ATOM 0 HB2 LYS A 98 6.648 -12.155 -4.389 1.00 5.54 H new ATOM 0 HB3 LYS A 98 5.809 -13.521 -5.097 1.00 5.54 H new ATOM 0 HG2 LYS A 98 3.808 -12.009 -5.466 1.00 42.11 H new ATOM 0 HG3 LYS A 98 4.788 -10.663 -4.918 1.00 42.11 H new ATOM 0 HD2 LYS A 98 6.393 -11.012 -6.735 1.00 31.24 H new ATOM 0 HD3 LYS A 98 5.586 -12.489 -7.223 1.00 31.24 H new ATOM 0 HE2 LYS A 98 3.501 -11.115 -7.670 1.00 63.51 H new ATOM 0 HE3 LYS A 98 4.447 -9.674 -7.353 1.00 63.51 H new ATOM 0 HZ1 LYS A 98 4.332 -10.146 -9.709 1.00 25.41 H new ATOM 0 HZ2 LYS A 98 5.936 -10.284 -9.168 1.00 25.41 H new ATOM 0 HZ3 LYS A 98 5.020 -11.681 -9.475 1.00 25.41 H new ATOM 1496 N ALA A 99 6.878 -13.561 -1.702 1.00 3.24 N ATOM 1497 CA ALA A 99 7.749 -14.481 -0.951 1.00 65.31 C ATOM 1498 C ALA A 99 6.959 -15.316 0.070 1.00 63.20 C ATOM 1499 O ALA A 99 7.338 -16.443 0.396 1.00 44.13 O ATOM 1500 CB ALA A 99 8.851 -13.700 -0.243 1.00 55.42 C ATOM 0 H ALA A 99 7.116 -12.576 -1.587 1.00 3.24 H new ATOM 0 HA ALA A 99 8.193 -15.170 -1.669 1.00 65.31 H new ATOM 0 HB1 ALA A 99 9.489 -14.390 0.309 1.00 55.42 H new ATOM 0 HB2 ALA A 99 9.449 -13.164 -0.981 1.00 55.42 H new ATOM 0 HB3 ALA A 99 8.404 -12.986 0.449 1.00 55.42 H new ATOM 1506 N ILE A 100 5.873 -14.743 0.581 1.00 3.44 N ATOM 1507 CA ILE A 100 4.981 -15.441 1.521 1.00 74.13 C ATOM 1508 C ILE A 100 3.830 -16.151 0.787 1.00 34.24 C ATOM 1509 O ILE A 100 2.918 -16.688 1.416 1.00 74.55 O ATOM 1510 CB ILE A 100 4.382 -14.444 2.540 1.00 51.30 C ATOM 1511 CG1 ILE A 100 3.550 -13.384 1.800 1.00 21.33 C ATOM 1512 CG2 ILE A 100 5.492 -13.791 3.363 1.00 54.12 C ATOM 1513 CD1 ILE A 100 2.983 -12.307 2.688 1.00 43.43 C ATOM 0 H ILE A 100 5.582 -13.790 0.362 1.00 3.44 H new ATOM 0 HA ILE A 100 5.582 -16.188 2.040 1.00 74.13 H new ATOM 0 HB ILE A 100 3.729 -14.983 3.227 1.00 51.30 H new ATOM 0 HG12 ILE A 100 4.173 -12.918 1.037 1.00 21.33 H new ATOM 0 HG13 ILE A 100 2.729 -13.880 1.282 1.00 21.33 H new ATOM 0 HG21 ILE A 100 5.054 -13.092 4.075 1.00 54.12 H new ATOM 0 HG22 ILE A 100 6.045 -14.560 3.902 1.00 54.12 H new ATOM 0 HG23 ILE A 100 6.170 -13.255 2.699 1.00 54.12 H new ATOM 0 HD11 ILE A 100 2.411 -11.602 2.085 1.00 43.43 H new ATOM 0 HD12 ILE A 100 2.331 -12.758 3.436 1.00 43.43 H new ATOM 0 HD13 ILE A 100 3.797 -11.781 3.187 1.00 43.43 H new ATOM 1525 N GLY A 101 3.877 -16.141 -0.542 1.00 43.11 N ATOM 1526 CA GLY A 101 2.809 -16.731 -1.344 1.00 41.03 C ATOM 1527 C GLY A 101 1.497 -15.961 -1.250 1.00 42.34 C ATOM 1528 O GLY A 101 0.428 -16.554 -1.085 1.00 40.42 O ATOM 0 H GLY A 101 4.639 -15.733 -1.084 1.00 43.11 H new ATOM 0 HA2 GLY A 101 3.126 -16.772 -2.386 1.00 41.03 H new ATOM 0 HA3 GLY A 101 2.645 -17.759 -1.020 1.00 41.03 H new ATOM 1532 N GLY A 102 1.581 -14.635 -1.316 1.00 0.30 N ATOM 1533 CA GLY A 102 0.389 -13.795 -1.276 1.00 71.52 C ATOM 1534 C GLY A 102 -0.285 -13.637 -2.638 1.00 2.11 C ATOM 1535 O GLY A 102 0.385 -13.672 -3.672 1.00 24.15 O ATOM 0 H GLY A 102 2.458 -14.121 -1.397 1.00 0.30 H new ATOM 0 HA2 GLY A 102 -0.325 -14.223 -0.572 1.00 71.52 H new ATOM 0 HA3 GLY A 102 0.660 -12.810 -0.896 1.00 71.52 H new ATOM 1539 N PRO A 103 -1.620 -13.453 -2.665 1.00 70.54 N ATOM 1540 CA PRO A 103 -2.381 -13.307 -3.923 1.00 35.23 C ATOM 1541 C PRO A 103 -2.120 -11.960 -4.634 1.00 25.54 C ATOM 1542 O PRO A 103 -2.127 -10.897 -4.003 1.00 5.14 O ATOM 1543 CB PRO A 103 -3.842 -13.406 -3.455 1.00 33.30 C ATOM 1544 CG PRO A 103 -3.818 -12.931 -2.040 1.00 53.44 C ATOM 1545 CD PRO A 103 -2.496 -13.382 -1.476 1.00 22.35 C ATOM 0 HA PRO A 103 -2.099 -14.058 -4.661 1.00 35.23 H new ATOM 0 HB2 PRO A 103 -4.498 -12.789 -4.069 1.00 33.30 H new ATOM 0 HB3 PRO A 103 -4.212 -14.429 -3.523 1.00 33.30 H new ATOM 0 HG2 PRO A 103 -3.914 -11.846 -1.990 1.00 53.44 H new ATOM 0 HG3 PRO A 103 -4.649 -13.351 -1.473 1.00 53.44 H new ATOM 0 HD2 PRO A 103 -2.114 -12.678 -0.737 1.00 22.35 H new ATOM 0 HD3 PRO A 103 -2.580 -14.349 -0.981 1.00 22.35 H new ATOM 1553 N THR A 104 -1.912 -12.009 -5.949 1.00 4.31 N ATOM 1554 CA THR A 104 -1.583 -10.815 -6.739 1.00 33.34 C ATOM 1555 C THR A 104 -2.325 -10.823 -8.077 1.00 11.15 C ATOM 1556 O THR A 104 -2.873 -11.844 -8.499 1.00 70.31 O ATOM 1557 CB THR A 104 -0.063 -10.705 -7.039 1.00 52.32 C ATOM 1558 OG1 THR A 104 0.367 -11.818 -7.838 1.00 74.13 O ATOM 1559 CG2 THR A 104 0.760 -10.650 -5.757 1.00 2.35 C ATOM 0 H THR A 104 -1.965 -12.868 -6.497 1.00 4.31 H new ATOM 0 HA THR A 104 -1.891 -9.962 -6.134 1.00 33.34 H new ATOM 0 HB THR A 104 0.097 -9.776 -7.587 1.00 52.32 H new ATOM 0 HG1 THR A 104 1.326 -11.737 -8.022 1.00 74.13 H new ATOM 0 HG21 THR A 104 1.818 -10.573 -6.007 1.00 2.35 H new ATOM 0 HG22 THR A 104 0.462 -9.781 -5.170 1.00 2.35 H new ATOM 0 HG23 THR A 104 0.589 -11.556 -5.176 1.00 2.35 H new ATOM 1567 N GLU A 105 -2.334 -9.676 -8.740 1.00 23.21 N ATOM 1568 CA GLU A 105 -2.952 -9.537 -10.061 1.00 63.22 C ATOM 1569 C GLU A 105 -2.326 -8.381 -10.842 1.00 53.10 C ATOM 1570 O GLU A 105 -1.683 -7.500 -10.270 1.00 71.34 O ATOM 1571 CB GLU A 105 -4.469 -9.327 -9.945 1.00 1.13 C ATOM 1572 CG GLU A 105 -4.892 -8.609 -8.674 1.00 53.41 C ATOM 1573 CD GLU A 105 -6.147 -7.764 -8.837 1.00 1.43 C ATOM 1574 OE1 GLU A 105 -7.026 -8.143 -9.633 1.00 52.41 O ATOM 1575 OE2 GLU A 105 -6.242 -6.704 -8.184 1.00 3.42 O ATOM 0 H GLU A 105 -1.917 -8.816 -8.384 1.00 23.21 H new ATOM 0 HA GLU A 105 -2.770 -10.465 -10.603 1.00 63.22 H new ATOM 0 HB2 GLU A 105 -4.814 -8.756 -10.806 1.00 1.13 H new ATOM 0 HB3 GLU A 105 -4.965 -10.297 -9.986 1.00 1.13 H new ATOM 0 HG2 GLU A 105 -5.061 -9.347 -7.890 1.00 53.41 H new ATOM 0 HG3 GLU A 105 -4.075 -7.970 -8.340 1.00 53.41 H new ATOM 1582 N GLY A 106 -2.538 -8.379 -12.149 1.00 12.51 N ATOM 1583 CA GLY A 106 -1.946 -7.355 -13.003 1.00 4.31 C ATOM 1584 C GLY A 106 -1.769 -7.800 -14.447 1.00 11.14 C ATOM 1585 O GLY A 106 -2.141 -8.914 -14.819 1.00 11.31 O ATOM 0 H GLY A 106 -3.109 -9.067 -12.640 1.00 12.51 H new ATOM 0 HA2 GLY A 106 -2.575 -6.465 -12.979 1.00 4.31 H new ATOM 0 HA3 GLY A 106 -0.975 -7.070 -12.597 1.00 4.31 H new ATOM 1589 N ILE A 107 -1.200 -6.923 -15.264 1.00 13.02 N ATOM 1590 CA ILE A 107 -0.971 -7.208 -16.681 1.00 21.22 C ATOM 1591 C ILE A 107 0.276 -8.086 -16.874 1.00 13.31 C ATOM 1592 O ILE A 107 0.215 -9.148 -17.494 1.00 0.30 O ATOM 1593 CB ILE A 107 -0.809 -5.895 -17.491 1.00 75.01 C ATOM 1594 CG1 ILE A 107 -1.986 -4.944 -17.205 1.00 1.43 C ATOM 1595 CG2 ILE A 107 -0.695 -6.186 -18.987 1.00 71.41 C ATOM 1596 CD1 ILE A 107 -1.973 -3.672 -18.031 1.00 40.31 C ATOM 0 H ILE A 107 -0.885 -5.999 -14.969 1.00 13.02 H new ATOM 0 HA ILE A 107 -1.843 -7.748 -17.049 1.00 21.22 H new ATOM 0 HB ILE A 107 0.114 -5.408 -17.176 1.00 75.01 H new ATOM 0 HG12 ILE A 107 -2.920 -5.474 -17.390 1.00 1.43 H new ATOM 0 HG13 ILE A 107 -1.975 -4.678 -16.148 1.00 1.43 H new ATOM 0 HG21 ILE A 107 -0.582 -5.249 -19.532 1.00 71.41 H new ATOM 0 HG22 ILE A 107 0.174 -6.819 -19.169 1.00 71.41 H new ATOM 0 HG23 ILE A 107 -1.595 -6.698 -19.328 1.00 71.41 H new ATOM 0 HD11 ILE A 107 -2.835 -3.059 -17.768 1.00 40.31 H new ATOM 0 HD12 ILE A 107 -1.057 -3.116 -17.829 1.00 40.31 H new ATOM 0 HD13 ILE A 107 -2.017 -3.926 -19.090 1.00 40.31 H new ATOM 1608 N ILE A 108 1.410 -7.647 -16.325 1.00 2.11 N ATOM 1609 CA ILE A 108 2.660 -8.411 -16.432 1.00 25.30 C ATOM 1610 C ILE A 108 2.614 -9.695 -15.583 1.00 62.44 C ATOM 1611 O ILE A 108 3.304 -10.672 -15.866 1.00 50.50 O ATOM 1612 CB ILE A 108 3.897 -7.537 -16.054 1.00 32.35 C ATOM 1613 CG1 ILE A 108 4.317 -6.639 -17.238 1.00 34.13 C ATOM 1614 CG2 ILE A 108 5.072 -8.394 -15.590 1.00 32.41 C ATOM 1615 CD1 ILE A 108 3.239 -5.684 -17.718 1.00 61.40 C ATOM 0 H ILE A 108 1.492 -6.773 -15.805 1.00 2.11 H new ATOM 0 HA ILE A 108 2.767 -8.708 -17.475 1.00 25.30 H new ATOM 0 HB ILE A 108 3.602 -6.899 -15.221 1.00 32.35 H new ATOM 0 HG12 ILE A 108 5.193 -6.060 -16.946 1.00 34.13 H new ATOM 0 HG13 ILE A 108 4.618 -7.275 -18.071 1.00 34.13 H new ATOM 0 HG21 ILE A 108 5.914 -7.750 -15.336 1.00 32.41 H new ATOM 0 HG22 ILE A 108 4.778 -8.970 -14.713 1.00 32.41 H new ATOM 0 HG23 ILE A 108 5.364 -9.074 -16.390 1.00 32.41 H new ATOM 0 HD11 ILE A 108 3.621 -5.093 -18.551 1.00 61.40 H new ATOM 0 HD12 ILE A 108 2.369 -6.253 -18.045 1.00 61.40 H new ATOM 0 HD13 ILE A 108 2.953 -5.019 -16.903 1.00 61.40 H new