USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 70:sc= -0.192 USER MOD Single : A 26 SER OG : rot -30:sc= 0.36 USER MOD Single : A 31 HIS : no HD1:sc= -3.78 K(o=-3.8,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.079 (180deg=-0.29) USER MOD Single : A 35 ASN : amide:sc= -4.4! K(o=-4.4!,f=-1.1) USER MOD Single : A 38 MET CE :methyl 155:sc= -2.2! (180deg=-3.86!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 47 SER OG : rot 39:sc= 0.551 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.42) USER MOD Single : A 64 ASN : amide:sc= -0.0452 X(o=-0.045,f=0.0039) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 150:sc= -1.46 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0231) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.709 USER MOD Single : A 88 GLN : amide:sc= -1.85 X(o=-1.9,f=-2) USER MOD Single : A 90 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.028) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.385 -1.995 -3.643 1.00 14.23 N ATOM 38 CA ALA A 3 7.138 -1.793 -4.874 1.00 2.41 C ATOM 39 C ALA A 3 6.239 -1.267 -5.988 1.00 21.02 C ATOM 40 O ALA A 3 5.076 -1.651 -6.113 1.00 10.32 O ATOM 41 CB ALA A 3 7.808 -3.090 -5.302 1.00 1.04 C ATOM 0 HA ALA A 3 7.908 -1.046 -4.681 1.00 2.41 H new ATOM 0 HB1 ALA A 3 8.367 -2.924 -6.223 1.00 1.04 H new ATOM 0 HB2 ALA A 3 8.489 -3.423 -4.519 1.00 1.04 H new ATOM 0 HB3 ALA A 3 7.048 -3.853 -5.471 1.00 1.04 H new ATOM 47 N PRO A 4 6.788 -0.367 -6.817 1.00 51.02 N ATOM 48 CA PRO A 4 6.052 0.231 -7.935 1.00 63.35 C ATOM 49 C PRO A 4 5.776 -0.773 -9.050 1.00 13.23 C ATOM 50 O PRO A 4 6.340 -1.866 -9.088 1.00 24.24 O ATOM 51 CB PRO A 4 6.993 1.333 -8.430 1.00 35.12 C ATOM 52 CG PRO A 4 8.352 0.883 -8.020 1.00 2.15 C ATOM 53 CD PRO A 4 8.169 0.136 -6.727 1.00 51.14 C ATOM 0 HA PRO A 4 5.071 0.594 -7.629 1.00 63.35 H new ATOM 0 HB2 PRO A 4 6.926 1.455 -9.511 1.00 35.12 H new ATOM 0 HB3 PRO A 4 6.744 2.296 -7.985 1.00 35.12 H new ATOM 0 HG2 PRO A 4 8.797 0.242 -8.781 1.00 2.15 H new ATOM 0 HG3 PRO A 4 9.021 1.733 -7.888 1.00 2.15 H new ATOM 0 HD2 PRO A 4 8.887 -0.678 -6.628 1.00 51.14 H new ATOM 0 HD3 PRO A 4 8.304 0.788 -5.864 1.00 51.14 H new ATOM 61 N PRO A 5 4.886 -0.395 -9.980 1.00 64.11 N ATOM 62 CA PRO A 5 4.516 -1.248 -11.113 1.00 54.02 C ATOM 63 C PRO A 5 5.651 -1.401 -12.120 1.00 11.43 C ATOM 64 O PRO A 5 6.314 -0.426 -12.474 1.00 73.34 O ATOM 65 CB PRO A 5 3.337 -0.505 -11.746 1.00 15.52 C ATOM 66 CG PRO A 5 3.535 0.920 -11.358 1.00 42.24 C ATOM 67 CD PRO A 5 4.175 0.894 -9.998 1.00 33.03 C ATOM 0 HA PRO A 5 4.278 -2.264 -10.797 1.00 54.02 H new ATOM 0 HB2 PRO A 5 3.330 -0.623 -12.830 1.00 15.52 H new ATOM 0 HB3 PRO A 5 2.385 -0.887 -11.378 1.00 15.52 H new ATOM 0 HG2 PRO A 5 4.170 1.436 -12.078 1.00 42.24 H new ATOM 0 HG3 PRO A 5 2.585 1.453 -11.332 1.00 42.24 H new ATOM 0 HD2 PRO A 5 4.858 1.732 -9.859 1.00 33.03 H new ATOM 0 HD3 PRO A 5 3.432 0.954 -9.203 1.00 33.03 H new ATOM 75 N ALA A 6 5.869 -2.629 -12.577 1.00 23.45 N ATOM 76 CA ALA A 6 6.923 -2.909 -13.544 1.00 51.43 C ATOM 77 C ALA A 6 6.407 -2.772 -14.973 1.00 34.44 C ATOM 78 O ALA A 6 5.275 -3.154 -15.275 1.00 23.05 O ATOM 79 CB ALA A 6 7.492 -4.301 -13.317 1.00 64.14 C ATOM 0 H ALA A 6 5.329 -3.447 -12.293 1.00 23.45 H new ATOM 0 HA ALA A 6 7.718 -2.177 -13.401 1.00 51.43 H new ATOM 0 HB1 ALA A 6 8.278 -4.496 -14.046 1.00 64.14 H new ATOM 0 HB2 ALA A 6 7.907 -4.365 -12.311 1.00 64.14 H new ATOM 0 HB3 ALA A 6 6.700 -5.041 -13.431 1.00 64.14 H new ATOM 85 N THR A 7 7.243 -2.225 -15.850 1.00 35.04 N ATOM 86 CA THR A 7 6.870 -2.037 -17.246 1.00 12.41 C ATOM 87 C THR A 7 7.468 -3.128 -18.127 1.00 15.14 C ATOM 88 O THR A 7 8.452 -2.901 -18.832 1.00 32.43 O ATOM 89 CB THR A 7 7.328 -0.662 -17.769 1.00 70.21 C ATOM 90 OG1 THR A 7 6.869 0.373 -16.893 1.00 51.32 O ATOM 91 CG2 THR A 7 6.801 -0.415 -19.175 1.00 30.14 C ATOM 0 H THR A 7 8.183 -1.904 -15.618 1.00 35.04 H new ATOM 0 HA THR A 7 5.782 -2.092 -17.293 1.00 12.41 H new ATOM 0 HB THR A 7 8.418 -0.654 -17.800 1.00 70.21 H new ATOM 0 HG1 THR A 7 7.166 1.244 -17.231 1.00 51.32 H new ATOM 0 HG21 THR A 7 7.137 0.562 -19.523 1.00 30.14 H new ATOM 0 HG22 THR A 7 7.176 -1.188 -19.845 1.00 30.14 H new ATOM 0 HG23 THR A 7 5.711 -0.441 -19.165 1.00 30.14 H new ATOM 99 N LEU A 8 6.867 -4.312 -18.082 1.00 61.14 N ATOM 100 CA LEU A 8 7.340 -5.440 -18.878 1.00 1.21 C ATOM 101 C LEU A 8 6.984 -5.256 -20.350 1.00 11.45 C ATOM 102 O LEU A 8 5.825 -5.392 -20.739 1.00 34.24 O ATOM 103 CB LEU A 8 6.739 -6.746 -18.355 1.00 53.34 C ATOM 104 CG LEU A 8 6.834 -6.972 -16.846 1.00 65.22 C ATOM 105 CD1 LEU A 8 5.491 -6.714 -16.181 1.00 62.24 C ATOM 106 CD2 LEU A 8 7.317 -8.385 -16.548 1.00 55.54 C ATOM 0 H LEU A 8 6.052 -4.516 -17.504 1.00 61.14 H new ATOM 0 HA LEU A 8 8.425 -5.486 -18.789 1.00 1.21 H new ATOM 0 HB2 LEU A 8 5.688 -6.779 -18.642 1.00 53.34 H new ATOM 0 HB3 LEU A 8 7.233 -7.577 -18.858 1.00 53.34 H new ATOM 0 HG LEU A 8 7.559 -6.268 -16.438 1.00 65.22 H new ATOM 0 HD11 LEU A 8 5.579 -6.880 -15.107 1.00 62.24 H new ATOM 0 HD12 LEU A 8 5.186 -5.684 -16.365 1.00 62.24 H new ATOM 0 HD13 LEU A 8 4.744 -7.393 -16.593 1.00 62.24 H new ATOM 0 HD21 LEU A 8 7.379 -8.528 -15.469 1.00 55.54 H new ATOM 0 HD22 LEU A 8 6.617 -9.106 -16.970 1.00 55.54 H new ATOM 0 HD23 LEU A 8 8.302 -8.534 -16.991 1.00 55.54 H new ATOM 118 N GLU A 9 7.990 -4.947 -21.162 1.00 55.14 N ATOM 119 CA GLU A 9 7.781 -4.746 -22.592 1.00 4.24 C ATOM 120 C GLU A 9 7.659 -6.083 -23.317 1.00 53.30 C ATOM 121 O GLU A 9 7.558 -7.135 -22.688 1.00 23.43 O ATOM 122 CB GLU A 9 8.933 -3.933 -23.188 1.00 32.32 C ATOM 123 CG GLU A 9 9.115 -2.570 -22.541 1.00 71.52 C ATOM 124 CD GLU A 9 8.259 -1.499 -23.188 1.00 42.32 C ATOM 125 OE1 GLU A 9 7.087 -1.787 -23.506 1.00 54.42 O ATOM 126 OE2 GLU A 9 8.763 -0.372 -23.376 1.00 42.52 O ATOM 0 H GLU A 9 8.956 -4.831 -20.855 1.00 55.14 H new ATOM 0 HA GLU A 9 6.850 -4.195 -22.724 1.00 4.24 H new ATOM 0 HB2 GLU A 9 9.858 -4.501 -23.086 1.00 32.32 H new ATOM 0 HB3 GLU A 9 8.758 -3.799 -24.255 1.00 32.32 H new ATOM 0 HG2 GLU A 9 8.866 -2.638 -21.482 1.00 71.52 H new ATOM 0 HG3 GLU A 9 10.164 -2.279 -22.604 1.00 71.52 H new ATOM 133 N ALA A 10 7.667 -6.032 -24.645 1.00 1.40 N ATOM 134 CA ALA A 10 7.558 -7.237 -25.457 1.00 24.44 C ATOM 135 C ALA A 10 8.595 -7.242 -26.575 1.00 1.21 C ATOM 136 O ALA A 10 8.288 -6.906 -27.719 1.00 64.54 O ATOM 137 CB ALA A 10 6.156 -7.360 -26.034 1.00 30.31 C ATOM 0 H ALA A 10 7.748 -5.168 -25.181 1.00 1.40 H new ATOM 0 HA ALA A 10 7.751 -8.096 -24.815 1.00 24.44 H new ATOM 0 HB1 ALA A 10 6.089 -8.265 -26.638 1.00 30.31 H new ATOM 0 HB2 ALA A 10 5.431 -7.412 -25.221 1.00 30.31 H new ATOM 0 HB3 ALA A 10 5.941 -6.491 -26.656 1.00 30.31 H new ATOM 143 N ILE A 11 9.822 -7.623 -26.236 1.00 42.43 N ATOM 144 CA ILE A 11 10.903 -7.671 -27.213 1.00 4.43 C ATOM 145 C ILE A 11 10.719 -8.834 -28.181 1.00 33.23 C ATOM 146 O ILE A 11 9.834 -9.672 -28.000 1.00 25.11 O ATOM 147 CB ILE A 11 12.276 -7.801 -26.527 1.00 20.14 C ATOM 148 CG1 ILE A 11 12.385 -6.814 -25.362 1.00 74.34 C ATOM 149 CG2 ILE A 11 13.395 -7.568 -27.531 1.00 75.53 C ATOM 150 CD1 ILE A 11 12.839 -5.434 -25.781 1.00 10.50 C ATOM 0 H ILE A 11 10.092 -7.903 -25.293 1.00 42.43 H new ATOM 0 HA ILE A 11 10.869 -6.733 -27.767 1.00 4.43 H new ATOM 0 HB ILE A 11 12.373 -8.812 -26.132 1.00 20.14 H new ATOM 0 HG12 ILE A 11 11.415 -6.735 -24.871 1.00 74.34 H new ATOM 0 HG13 ILE A 11 13.084 -7.210 -24.625 1.00 74.34 H new ATOM 0 HG21 ILE A 11 14.359 -7.663 -27.030 1.00 75.53 H new ATOM 0 HG22 ILE A 11 13.326 -8.306 -28.330 1.00 75.53 H new ATOM 0 HG23 ILE A 11 13.303 -6.567 -27.953 1.00 75.53 H new ATOM 0 HD11 ILE A 11 12.894 -4.787 -24.905 1.00 10.50 H new ATOM 0 HD12 ILE A 11 13.823 -5.500 -26.245 1.00 10.50 H new ATOM 0 HD13 ILE A 11 12.128 -5.018 -26.495 1.00 10.50 H new ATOM 162 N HIS A 12 11.560 -8.881 -29.209 1.00 23.14 N ATOM 163 CA HIS A 12 11.492 -9.944 -30.205 1.00 33.10 C ATOM 164 C HIS A 12 11.551 -11.316 -29.540 1.00 63.24 C ATOM 165 O HIS A 12 11.792 -11.441 -28.340 1.00 21.35 O ATOM 166 CB HIS A 12 12.633 -9.802 -31.212 1.00 62.42 C ATOM 167 CG HIS A 12 12.179 -9.388 -32.578 1.00 70.40 C ATOM 168 ND1 HIS A 12 10.910 -9.638 -33.057 1.00 1.42 N ATOM 169 CD2 HIS A 12 12.832 -8.737 -33.569 1.00 21.14 C ATOM 170 CE1 HIS A 12 10.803 -9.159 -34.283 1.00 72.14 C ATOM 171 NE2 HIS A 12 11.955 -8.607 -34.618 1.00 23.05 N ATOM 0 H HIS A 12 12.297 -8.195 -29.374 1.00 23.14 H new ATOM 0 HA HIS A 12 10.541 -9.856 -30.731 1.00 33.10 H new ATOM 0 HB2 HIS A 12 13.347 -9.069 -30.838 1.00 62.42 H new ATOM 0 HB3 HIS A 12 13.161 -10.753 -31.286 1.00 62.42 H new ATOM 0 HD2 HIS A 12 13.853 -8.385 -33.540 1.00 21.14 H new ATOM 0 HE1 HIS A 12 9.922 -9.210 -34.906 1.00 72.14 H new ATOM 0 HE2 HIS A 12 12.160 -8.157 -35.510 1.00 23.05 H new ATOM 179 N PRO A 13 11.326 -12.371 -30.338 1.00 2.10 N ATOM 180 CA PRO A 13 11.349 -13.753 -29.849 1.00 13.55 C ATOM 181 C PRO A 13 12.754 -14.212 -29.473 1.00 54.25 C ATOM 182 O PRO A 13 13.031 -15.410 -29.413 1.00 42.24 O ATOM 183 CB PRO A 13 10.822 -14.559 -31.038 1.00 43.04 C ATOM 184 CG PRO A 13 11.141 -13.726 -32.231 1.00 44.15 C ATOM 185 CD PRO A 13 11.033 -12.296 -31.779 1.00 51.11 C ATOM 0 HA PRO A 13 10.759 -13.874 -28.940 1.00 13.55 H new ATOM 0 HB2 PRO A 13 11.301 -15.536 -31.098 1.00 43.04 H new ATOM 0 HB3 PRO A 13 9.750 -14.735 -30.953 1.00 43.04 H new ATOM 0 HG2 PRO A 13 12.143 -13.943 -32.602 1.00 44.15 H new ATOM 0 HG3 PRO A 13 10.448 -13.931 -33.047 1.00 44.15 H new ATOM 0 HD2 PRO A 13 11.744 -11.655 -32.301 1.00 51.11 H new ATOM 0 HD3 PRO A 13 10.039 -11.889 -31.966 1.00 51.11 H new ATOM 193 N LYS A 14 13.637 -13.252 -29.221 1.00 62.12 N ATOM 194 CA LYS A 14 15.014 -13.557 -28.850 1.00 32.11 C ATOM 195 C LYS A 14 15.389 -12.872 -27.540 1.00 15.33 C ATOM 196 O LYS A 14 16.567 -12.696 -27.235 1.00 24.43 O ATOM 197 CB LYS A 14 15.972 -13.119 -29.959 1.00 41.45 C ATOM 198 CG LYS A 14 16.101 -11.611 -30.091 1.00 4.11 C ATOM 199 CD LYS A 14 17.280 -11.227 -30.970 1.00 11.22 C ATOM 200 CE LYS A 14 16.970 -9.999 -31.813 1.00 33.51 C ATOM 201 NZ LYS A 14 17.862 -9.903 -33.001 1.00 3.40 N ATOM 0 H LYS A 14 13.424 -12.256 -29.267 1.00 62.12 H new ATOM 0 HA LYS A 14 15.096 -14.635 -28.712 1.00 32.11 H new ATOM 0 HB2 LYS A 14 16.957 -13.544 -29.766 1.00 41.45 H new ATOM 0 HB3 LYS A 14 15.628 -13.530 -30.908 1.00 41.45 H new ATOM 0 HG2 LYS A 14 15.183 -11.202 -30.513 1.00 4.11 H new ATOM 0 HG3 LYS A 14 16.223 -11.167 -29.103 1.00 4.11 H new ATOM 0 HD2 LYS A 14 18.152 -11.031 -30.346 1.00 11.22 H new ATOM 0 HD3 LYS A 14 17.536 -12.062 -31.622 1.00 11.22 H new ATOM 0 HE2 LYS A 14 15.931 -10.036 -32.141 1.00 33.51 H new ATOM 0 HE3 LYS A 14 17.080 -9.102 -31.203 1.00 33.51 H new ATOM 0 HZ1 LYS A 14 17.619 -9.053 -33.550 1.00 3.40 H new ATOM 0 HZ2 LYS A 14 18.852 -9.842 -32.688 1.00 3.40 H new ATOM 0 HZ3 LYS A 14 17.739 -10.747 -33.597 1.00 3.40 H new ATOM 215 N GLY A 15 14.377 -12.487 -26.767 1.00 73.15 N ATOM 216 CA GLY A 15 14.621 -11.827 -25.499 1.00 3.34 C ATOM 217 C GLY A 15 13.448 -10.977 -25.052 1.00 4.23 C ATOM 218 O GLY A 15 12.411 -10.939 -25.715 1.00 43.51 O ATOM 0 H GLY A 15 13.392 -12.621 -26.998 1.00 73.15 H new ATOM 0 HA2 GLY A 15 14.833 -12.577 -24.737 1.00 3.34 H new ATOM 0 HA3 GLY A 15 15.508 -11.200 -25.584 1.00 3.34 H new ATOM 222 N LEU A 16 13.610 -10.294 -23.924 1.00 24.44 N ATOM 223 CA LEU A 16 12.555 -9.442 -23.387 1.00 44.41 C ATOM 224 C LEU A 16 13.145 -8.269 -22.611 1.00 4.34 C ATOM 225 O LEU A 16 14.334 -8.259 -22.290 1.00 50.21 O ATOM 226 CB LEU A 16 11.628 -10.253 -22.481 1.00 31.12 C ATOM 227 CG LEU A 16 10.367 -9.536 -21.997 1.00 31.42 C ATOM 228 CD1 LEU A 16 9.591 -8.967 -23.174 1.00 44.34 C ATOM 229 CD2 LEU A 16 9.492 -10.484 -21.188 1.00 44.51 C ATOM 0 H LEU A 16 14.462 -10.314 -23.364 1.00 24.44 H new ATOM 0 HA LEU A 16 11.979 -9.047 -24.224 1.00 44.41 H new ATOM 0 HB2 LEU A 16 11.327 -11.154 -23.016 1.00 31.12 H new ATOM 0 HB3 LEU A 16 12.196 -10.575 -21.608 1.00 31.12 H new ATOM 0 HG LEU A 16 10.667 -8.710 -21.352 1.00 31.42 H new ATOM 0 HD11 LEU A 16 8.697 -8.461 -22.810 1.00 44.34 H new ATOM 0 HD12 LEU A 16 10.217 -8.256 -23.713 1.00 44.34 H new ATOM 0 HD13 LEU A 16 9.302 -9.776 -23.844 1.00 44.34 H new ATOM 0 HD21 LEU A 16 8.599 -9.957 -20.852 1.00 44.51 H new ATOM 0 HD22 LEU A 16 9.201 -11.331 -21.810 1.00 44.51 H new ATOM 0 HD23 LEU A 16 10.049 -10.844 -20.323 1.00 44.51 H new ATOM 241 N ARG A 17 12.306 -7.283 -22.310 1.00 3.02 N ATOM 242 CA ARG A 17 12.745 -6.106 -21.570 1.00 14.32 C ATOM 243 C ARG A 17 11.767 -5.775 -20.445 1.00 64.53 C ATOM 244 O ARG A 17 10.552 -5.856 -20.622 1.00 14.34 O ATOM 245 CB ARG A 17 12.880 -4.907 -22.511 1.00 22.15 C ATOM 246 CG ARG A 17 13.395 -3.651 -21.827 1.00 23.35 C ATOM 247 CD ARG A 17 13.171 -2.417 -22.686 1.00 1.11 C ATOM 248 NE ARG A 17 13.561 -1.191 -21.995 1.00 45.23 N ATOM 249 CZ ARG A 17 13.423 0.023 -22.518 1.00 23.34 C ATOM 250 NH1 ARG A 17 12.907 0.172 -23.729 1.00 74.45 N ATOM 251 NH2 ARG A 17 13.802 1.091 -21.827 1.00 20.40 N ATOM 0 H ARG A 17 11.319 -7.276 -22.567 1.00 3.02 H new ATOM 0 HA ARG A 17 13.718 -6.326 -21.130 1.00 14.32 H new ATOM 0 HB2 ARG A 17 13.555 -5.170 -23.326 1.00 22.15 H new ATOM 0 HB3 ARG A 17 11.908 -4.695 -22.957 1.00 22.15 H new ATOM 0 HG2 ARG A 17 12.891 -3.525 -20.869 1.00 23.35 H new ATOM 0 HG3 ARG A 17 14.459 -3.760 -21.616 1.00 23.35 H new ATOM 0 HD2 ARG A 17 13.742 -2.510 -23.610 1.00 1.11 H new ATOM 0 HD3 ARG A 17 12.119 -2.356 -22.966 1.00 1.11 H new ATOM 0 HE ARG A 17 13.961 -1.271 -21.060 1.00 45.23 H new ATOM 0 HH11 ARG A 17 12.614 -0.646 -24.263 1.00 74.45 H new ATOM 0 HH12 ARG A 17 12.802 1.105 -24.128 1.00 74.45 H new ATOM 0 HH21 ARG A 17 14.199 0.980 -20.894 1.00 20.40 H new ATOM 0 HH22 ARG A 17 13.696 2.022 -22.229 1.00 20.40 H new ATOM 265 N VAL A 18 12.307 -5.404 -19.289 1.00 25.21 N ATOM 266 CA VAL A 18 11.484 -5.061 -18.136 1.00 31.24 C ATOM 267 C VAL A 18 12.145 -3.977 -17.291 1.00 74.24 C ATOM 268 O VAL A 18 13.130 -4.230 -16.599 1.00 5.10 O ATOM 269 CB VAL A 18 11.216 -6.293 -17.251 1.00 72.31 C ATOM 270 CG1 VAL A 18 10.486 -5.889 -15.979 1.00 5.01 C ATOM 271 CG2 VAL A 18 10.423 -7.339 -18.021 1.00 11.33 C ATOM 0 H VAL A 18 13.311 -5.333 -19.126 1.00 25.21 H new ATOM 0 HA VAL A 18 10.536 -4.688 -18.524 1.00 31.24 H new ATOM 0 HB VAL A 18 12.173 -6.731 -16.968 1.00 72.31 H new ATOM 0 HG11 VAL A 18 10.306 -6.773 -15.367 1.00 5.01 H new ATOM 0 HG12 VAL A 18 11.095 -5.178 -15.420 1.00 5.01 H new ATOM 0 HG13 VAL A 18 9.534 -5.426 -16.237 1.00 5.01 H new ATOM 0 HG21 VAL A 18 10.242 -8.203 -17.381 1.00 11.33 H new ATOM 0 HG22 VAL A 18 9.469 -6.914 -18.335 1.00 11.33 H new ATOM 0 HG23 VAL A 18 10.988 -7.650 -18.899 1.00 11.33 H new ATOM 281 N SER A 19 11.594 -2.769 -17.354 1.00 4.24 N ATOM 282 CA SER A 19 12.132 -1.644 -16.597 1.00 63.12 C ATOM 283 C SER A 19 11.161 -1.211 -15.503 1.00 52.25 C ATOM 284 O SER A 19 9.958 -1.456 -15.593 1.00 32.44 O ATOM 285 CB SER A 19 12.425 -0.468 -17.531 1.00 11.25 C ATOM 286 OG SER A 19 12.643 0.724 -16.796 1.00 11.22 O ATOM 0 H SER A 19 10.776 -2.544 -17.921 1.00 4.24 H new ATOM 0 HA SER A 19 13.061 -1.965 -16.126 1.00 63.12 H new ATOM 0 HB2 SER A 19 13.303 -0.691 -18.137 1.00 11.25 H new ATOM 0 HB3 SER A 19 11.590 -0.328 -18.218 1.00 11.25 H new ATOM 0 HG SER A 19 13.495 0.661 -16.315 1.00 11.22 H new ATOM 292 N VAL A 20 11.692 -0.564 -14.471 1.00 24.32 N ATOM 293 CA VAL A 20 10.874 -0.095 -13.359 1.00 72.02 C ATOM 294 C VAL A 20 11.350 1.265 -12.862 1.00 51.30 C ATOM 295 O VAL A 20 12.525 1.618 -12.971 1.00 75.44 O ATOM 296 CB VAL A 20 10.894 -1.094 -12.187 1.00 12.43 C ATOM 297 CG1 VAL A 20 10.377 -2.453 -12.634 1.00 4.31 C ATOM 298 CG2 VAL A 20 12.297 -1.210 -11.611 1.00 32.43 C ATOM 0 H VAL A 20 12.686 -0.352 -14.382 1.00 24.32 H new ATOM 0 HA VAL A 20 9.854 -0.005 -13.732 1.00 72.02 H new ATOM 0 HB VAL A 20 10.234 -0.722 -11.403 1.00 12.43 H new ATOM 0 HG11 VAL A 20 10.399 -3.145 -11.792 1.00 4.31 H new ATOM 0 HG12 VAL A 20 9.353 -2.352 -12.995 1.00 4.31 H new ATOM 0 HG13 VAL A 20 11.008 -2.837 -13.436 1.00 4.31 H new ATOM 0 HG21 VAL A 20 12.293 -1.920 -10.784 1.00 32.43 H new ATOM 0 HG22 VAL A 20 12.980 -1.559 -12.385 1.00 32.43 H new ATOM 0 HG23 VAL A 20 12.624 -0.235 -11.251 1.00 32.43 H new ATOM 308 N PRO A 21 10.418 2.050 -12.301 1.00 74.23 N ATOM 309 CA PRO A 21 10.718 3.384 -11.775 1.00 5.34 C ATOM 310 C PRO A 21 11.573 3.330 -10.512 1.00 55.35 C ATOM 311 O PRO A 21 11.191 2.711 -9.519 1.00 54.41 O ATOM 312 CB PRO A 21 9.336 3.962 -11.460 1.00 60.45 C ATOM 313 CG PRO A 21 8.472 2.770 -11.229 1.00 53.41 C ATOM 314 CD PRO A 21 8.998 1.694 -12.138 1.00 0.21 C ATOM 0 HA PRO A 21 11.293 3.981 -12.483 1.00 5.34 H new ATOM 0 HB2 PRO A 21 9.367 4.605 -10.581 1.00 60.45 H new ATOM 0 HB3 PRO A 21 8.963 4.568 -12.285 1.00 60.45 H new ATOM 0 HG2 PRO A 21 8.513 2.455 -10.186 1.00 53.41 H new ATOM 0 HG3 PRO A 21 7.429 2.995 -11.453 1.00 53.41 H new ATOM 0 HD2 PRO A 21 8.880 0.703 -11.699 1.00 0.21 H new ATOM 0 HD3 PRO A 21 8.474 1.683 -13.094 1.00 0.21 H new ATOM 322 N ASP A 22 12.729 3.982 -10.558 1.00 40.31 N ATOM 323 CA ASP A 22 13.637 4.010 -9.417 1.00 72.22 C ATOM 324 C ASP A 22 13.234 5.100 -8.429 1.00 24.23 C ATOM 325 O ASP A 22 13.646 6.252 -8.560 1.00 24.24 O ATOM 326 CB ASP A 22 15.074 4.236 -9.887 1.00 45.05 C ATOM 327 CG ASP A 22 16.047 4.368 -8.732 1.00 45.24 C ATOM 328 OD1 ASP A 22 15.682 4.999 -7.718 1.00 23.52 O ATOM 329 OD2 ASP A 22 17.174 3.841 -8.843 1.00 32.34 O ATOM 0 H ASP A 22 13.060 4.498 -11.373 1.00 40.31 H new ATOM 0 HA ASP A 22 13.576 3.046 -8.912 1.00 72.22 H new ATOM 0 HB2 ASP A 22 15.380 3.405 -10.523 1.00 45.05 H new ATOM 0 HB3 ASP A 22 15.116 5.138 -10.498 1.00 45.05 H new ATOM 334 N GLU A 23 12.426 4.727 -7.441 1.00 4.10 N ATOM 335 CA GLU A 23 11.967 5.674 -6.432 1.00 1.30 C ATOM 336 C GLU A 23 12.973 5.782 -5.289 1.00 52.23 C ATOM 337 O GLU A 23 12.596 5.848 -4.120 1.00 74.01 O ATOM 338 CB GLU A 23 10.602 5.250 -5.886 1.00 50.33 C ATOM 339 CG GLU A 23 9.541 6.332 -5.993 1.00 52.54 C ATOM 340 CD GLU A 23 8.741 6.494 -4.715 1.00 43.11 C ATOM 341 OE1 GLU A 23 8.462 5.471 -4.056 1.00 1.11 O ATOM 342 OE2 GLU A 23 8.395 7.645 -4.374 1.00 60.32 O ATOM 0 H GLU A 23 12.076 3.777 -7.318 1.00 4.10 H new ATOM 0 HA GLU A 23 11.874 6.652 -6.904 1.00 1.30 H new ATOM 0 HB2 GLU A 23 10.263 4.366 -6.426 1.00 50.33 H new ATOM 0 HB3 GLU A 23 10.712 4.963 -4.840 1.00 50.33 H new ATOM 0 HG2 GLU A 23 10.018 7.280 -6.241 1.00 52.54 H new ATOM 0 HG3 GLU A 23 8.864 6.092 -6.813 1.00 52.54 H new ATOM 349 N GLY A 24 14.256 5.799 -5.637 1.00 50.04 N ATOM 350 CA GLY A 24 15.296 5.898 -4.631 1.00 5.14 C ATOM 351 C GLY A 24 15.790 4.540 -4.171 1.00 52.52 C ATOM 352 O GLY A 24 16.306 4.402 -3.062 1.00 10.20 O ATOM 0 H GLY A 24 14.593 5.746 -6.598 1.00 50.04 H new ATOM 0 HA2 GLY A 24 16.133 6.468 -5.033 1.00 5.14 H new ATOM 0 HA3 GLY A 24 14.916 6.452 -3.773 1.00 5.14 H new ATOM 356 N PHE A 25 15.630 3.535 -5.025 1.00 33.43 N ATOM 357 CA PHE A 25 16.060 2.180 -4.699 1.00 63.12 C ATOM 358 C PHE A 25 17.579 2.057 -4.783 1.00 10.14 C ATOM 359 O PHE A 25 18.252 2.920 -5.345 1.00 43.51 O ATOM 360 CB PHE A 25 15.403 1.172 -5.645 1.00 2.14 C ATOM 361 CG PHE A 25 13.918 1.051 -5.454 1.00 3.14 C ATOM 362 CD1 PHE A 25 13.398 0.221 -4.474 1.00 72.22 C ATOM 363 CD2 PHE A 25 13.043 1.767 -6.254 1.00 50.31 C ATOM 364 CE1 PHE A 25 12.032 0.107 -4.296 1.00 11.34 C ATOM 365 CE2 PHE A 25 11.676 1.658 -6.080 1.00 3.31 C ATOM 366 CZ PHE A 25 11.170 0.826 -5.100 1.00 41.43 C ATOM 0 H PHE A 25 15.206 3.633 -5.948 1.00 33.43 H new ATOM 0 HA PHE A 25 15.751 1.963 -3.676 1.00 63.12 H new ATOM 0 HB2 PHE A 25 15.606 1.466 -6.675 1.00 2.14 H new ATOM 0 HB3 PHE A 25 15.861 0.194 -5.497 1.00 2.14 H new ATOM 0 HD1 PHE A 25 14.068 -0.343 -3.842 1.00 72.22 H new ATOM 0 HD2 PHE A 25 13.433 2.418 -7.022 1.00 50.31 H new ATOM 0 HE1 PHE A 25 11.639 -0.544 -3.529 1.00 11.34 H new ATOM 0 HE2 PHE A 25 11.004 2.223 -6.710 1.00 3.31 H new ATOM 0 HZ PHE A 25 10.102 0.738 -4.963 1.00 41.43 H new ATOM 376 N SER A 26 18.111 0.978 -4.218 1.00 3.01 N ATOM 377 CA SER A 26 19.551 0.743 -4.224 1.00 15.31 C ATOM 378 C SER A 26 19.870 -0.662 -4.725 1.00 53.23 C ATOM 379 O SER A 26 21.032 -1.009 -4.938 1.00 43.44 O ATOM 380 CB SER A 26 20.126 0.939 -2.820 1.00 44.32 C ATOM 381 OG SER A 26 21.533 0.764 -2.817 1.00 13.41 O ATOM 0 H SER A 26 17.567 0.253 -3.750 1.00 3.01 H new ATOM 0 HA SER A 26 20.010 1.464 -4.901 1.00 15.31 H new ATOM 0 HB2 SER A 26 19.880 1.937 -2.459 1.00 44.32 H new ATOM 0 HB3 SER A 26 19.666 0.229 -2.133 1.00 44.32 H new ATOM 0 HG SER A 26 21.785 0.125 -3.516 1.00 13.41 H new ATOM 387 N LEU A 27 18.830 -1.467 -4.912 1.00 13.12 N ATOM 388 CA LEU A 27 18.997 -2.835 -5.388 1.00 62.44 C ATOM 389 C LEU A 27 17.734 -3.327 -6.088 1.00 31.15 C ATOM 390 O LEU A 27 16.619 -3.021 -5.665 1.00 33.55 O ATOM 391 CB LEU A 27 19.343 -3.764 -4.223 1.00 12.44 C ATOM 392 CG LEU A 27 18.933 -5.228 -4.386 1.00 50.31 C ATOM 393 CD1 LEU A 27 17.421 -5.371 -4.308 1.00 50.40 C ATOM 394 CD2 LEU A 27 19.456 -5.784 -5.702 1.00 71.05 C ATOM 0 H LEU A 27 17.862 -1.196 -4.741 1.00 13.12 H new ATOM 0 HA LEU A 27 19.816 -2.845 -6.107 1.00 62.44 H new ATOM 0 HB2 LEU A 27 20.420 -3.725 -4.061 1.00 12.44 H new ATOM 0 HB3 LEU A 27 18.871 -3.374 -3.321 1.00 12.44 H new ATOM 0 HG LEU A 27 19.374 -5.802 -3.571 1.00 50.31 H new ATOM 0 HD11 LEU A 27 17.148 -6.420 -4.426 1.00 50.40 H new ATOM 0 HD12 LEU A 27 17.071 -5.012 -3.340 1.00 50.40 H new ATOM 0 HD13 LEU A 27 16.959 -4.784 -5.102 1.00 50.40 H new ATOM 0 HD21 LEU A 27 19.155 -6.827 -5.802 1.00 71.05 H new ATOM 0 HD22 LEU A 27 19.044 -5.207 -6.530 1.00 71.05 H new ATOM 0 HD23 LEU A 27 20.544 -5.717 -5.719 1.00 71.05 H new ATOM 406 N PHE A 28 17.916 -4.092 -7.159 1.00 22.13 N ATOM 407 CA PHE A 28 16.791 -4.628 -7.916 1.00 41.32 C ATOM 408 C PHE A 28 17.037 -6.084 -8.299 1.00 20.34 C ATOM 409 O PHE A 28 18.175 -6.495 -8.522 1.00 44.31 O ATOM 410 CB PHE A 28 16.552 -3.791 -9.175 1.00 62.51 C ATOM 411 CG PHE A 28 15.410 -4.286 -10.015 1.00 55.12 C ATOM 412 CD1 PHE A 28 14.207 -4.646 -9.429 1.00 72.44 C ATOM 413 CD2 PHE A 28 15.538 -4.391 -11.391 1.00 5.22 C ATOM 414 CE1 PHE A 28 13.153 -5.101 -10.200 1.00 21.43 C ATOM 415 CE2 PHE A 28 14.488 -4.845 -12.166 1.00 43.32 C ATOM 416 CZ PHE A 28 13.295 -5.202 -11.570 1.00 14.42 C ATOM 0 H PHE A 28 18.832 -4.355 -7.522 1.00 22.13 H new ATOM 0 HA PHE A 28 15.905 -4.582 -7.283 1.00 41.32 H new ATOM 0 HB2 PHE A 28 16.358 -2.759 -8.884 1.00 62.51 H new ATOM 0 HB3 PHE A 28 17.461 -3.787 -9.777 1.00 62.51 H new ATOM 0 HD1 PHE A 28 14.091 -4.570 -8.358 1.00 72.44 H new ATOM 0 HD2 PHE A 28 16.469 -4.115 -11.863 1.00 5.22 H new ATOM 0 HE1 PHE A 28 12.220 -5.377 -9.731 1.00 21.43 H new ATOM 0 HE2 PHE A 28 14.601 -4.921 -13.237 1.00 43.32 H new ATOM 0 HZ PHE A 28 12.474 -5.560 -12.174 1.00 14.42 H new ATOM 426 N ALA A 29 15.961 -6.861 -8.371 1.00 13.50 N ATOM 427 CA ALA A 29 16.058 -8.271 -8.727 1.00 44.54 C ATOM 428 C ALA A 29 14.921 -8.682 -9.655 1.00 74.35 C ATOM 429 O ALA A 29 13.867 -8.046 -9.683 1.00 2.40 O ATOM 430 CB ALA A 29 16.058 -9.133 -7.474 1.00 10.01 C ATOM 0 H ALA A 29 15.011 -6.537 -8.187 1.00 13.50 H new ATOM 0 HA ALA A 29 16.998 -8.422 -9.258 1.00 44.54 H new ATOM 0 HB1 ALA A 29 16.131 -10.184 -7.755 1.00 10.01 H new ATOM 0 HB2 ALA A 29 16.909 -8.865 -6.848 1.00 10.01 H new ATOM 0 HB3 ALA A 29 15.134 -8.969 -6.920 1.00 10.01 H new ATOM 436 N PHE A 30 15.140 -9.750 -10.415 1.00 70.31 N ATOM 437 CA PHE A 30 14.133 -10.246 -11.346 1.00 61.03 C ATOM 438 C PHE A 30 14.080 -11.771 -11.329 1.00 12.14 C ATOM 439 O PHE A 30 15.094 -12.441 -11.524 1.00 22.20 O ATOM 440 CB PHE A 30 14.431 -9.751 -12.763 1.00 73.32 C ATOM 441 CG PHE A 30 13.281 -9.928 -13.714 1.00 1.34 C ATOM 442 CD1 PHE A 30 12.746 -11.184 -13.949 1.00 22.11 C ATOM 443 CD2 PHE A 30 12.735 -8.837 -14.371 1.00 71.32 C ATOM 444 CE1 PHE A 30 11.689 -11.349 -14.824 1.00 31.24 C ATOM 445 CE2 PHE A 30 11.677 -8.996 -15.247 1.00 22.23 C ATOM 446 CZ PHE A 30 11.153 -10.254 -15.472 1.00 51.23 C ATOM 0 H PHE A 30 16.006 -10.289 -10.404 1.00 70.31 H new ATOM 0 HA PHE A 30 13.163 -9.863 -11.031 1.00 61.03 H new ATOM 0 HB2 PHE A 30 14.699 -8.695 -12.722 1.00 73.32 H new ATOM 0 HB3 PHE A 30 15.298 -10.285 -13.151 1.00 73.32 H new ATOM 0 HD1 PHE A 30 13.159 -12.044 -13.443 1.00 22.11 H new ATOM 0 HD2 PHE A 30 13.140 -7.851 -14.197 1.00 71.32 H new ATOM 0 HE1 PHE A 30 11.283 -12.334 -15.001 1.00 31.24 H new ATOM 0 HE2 PHE A 30 11.261 -8.138 -15.754 1.00 22.23 H new ATOM 0 HZ PHE A 30 10.325 -10.381 -16.154 1.00 51.23 H new ATOM 456 N HIS A 31 12.889 -12.313 -11.092 1.00 42.24 N ATOM 457 CA HIS A 31 12.702 -13.759 -11.049 1.00 3.31 C ATOM 458 C HIS A 31 11.275 -14.134 -11.435 1.00 52.10 C ATOM 459 O HIS A 31 10.383 -14.175 -10.589 1.00 14.21 O ATOM 460 CB HIS A 31 13.023 -14.294 -9.653 1.00 12.21 C ATOM 461 CG HIS A 31 14.480 -14.564 -9.435 1.00 73.42 C ATOM 462 ND1 HIS A 31 15.052 -15.804 -9.628 1.00 60.12 N ATOM 463 CD2 HIS A 31 15.483 -13.746 -9.040 1.00 72.00 C ATOM 464 CE1 HIS A 31 16.344 -15.737 -9.360 1.00 13.14 C ATOM 465 NE2 HIS A 31 16.631 -14.499 -9.001 1.00 12.42 N ATOM 0 H HIS A 31 12.040 -11.773 -10.927 1.00 42.24 H new ATOM 0 HA HIS A 31 13.384 -14.211 -11.769 1.00 3.31 H new ATOM 0 HB2 HIS A 31 12.680 -13.574 -8.910 1.00 12.21 H new ATOM 0 HB3 HIS A 31 12.463 -15.214 -9.488 1.00 12.21 H new ATOM 0 HD2 HIS A 31 15.397 -12.697 -8.800 1.00 72.00 H new ATOM 0 HE1 HIS A 31 17.046 -16.555 -9.424 1.00 13.14 H new ATOM 0 HE2 HIS A 31 17.555 -14.157 -8.737 1.00 12.42 H new ATOM 473 N GLY A 32 11.066 -14.407 -12.720 1.00 3.53 N ATOM 474 CA GLY A 32 9.745 -14.774 -13.195 1.00 42.32 C ATOM 475 C GLY A 32 9.795 -15.802 -14.308 1.00 34.14 C ATOM 476 O GLY A 32 10.863 -16.312 -14.645 1.00 61.23 O ATOM 0 H GLY A 32 11.788 -14.380 -13.440 1.00 3.53 H new ATOM 0 HA2 GLY A 32 9.161 -15.170 -12.365 1.00 42.32 H new ATOM 0 HA3 GLY A 32 9.229 -13.882 -13.551 1.00 42.32 H new ATOM 480 N LYS A 33 8.635 -16.110 -14.879 1.00 10.33 N ATOM 481 CA LYS A 33 8.549 -17.084 -15.960 1.00 34.55 C ATOM 482 C LYS A 33 7.674 -16.562 -17.095 1.00 32.23 C ATOM 483 O LYS A 33 7.387 -15.367 -17.171 1.00 54.22 O ATOM 484 CB LYS A 33 7.987 -18.408 -15.436 1.00 72.43 C ATOM 485 CG LYS A 33 8.509 -18.790 -14.062 1.00 13.42 C ATOM 486 CD LYS A 33 7.387 -19.255 -13.149 1.00 32.12 C ATOM 487 CE LYS A 33 7.245 -20.769 -13.168 1.00 34.41 C ATOM 488 NZ LYS A 33 8.232 -21.431 -12.270 1.00 52.43 N ATOM 0 H LYS A 33 7.741 -15.699 -14.610 1.00 10.33 H new ATOM 0 HA LYS A 33 9.554 -17.250 -16.347 1.00 34.55 H new ATOM 0 HB2 LYS A 33 6.900 -18.341 -15.396 1.00 72.43 H new ATOM 0 HB3 LYS A 33 8.232 -19.202 -16.142 1.00 72.43 H new ATOM 0 HG2 LYS A 33 9.251 -19.582 -14.161 1.00 13.42 H new ATOM 0 HG3 LYS A 33 9.014 -17.935 -13.613 1.00 13.42 H new ATOM 0 HD2 LYS A 33 7.582 -18.920 -12.131 1.00 32.12 H new ATOM 0 HD3 LYS A 33 6.449 -18.796 -13.461 1.00 32.12 H new ATOM 0 HE2 LYS A 33 6.235 -21.043 -12.862 1.00 34.41 H new ATOM 0 HE3 LYS A 33 7.379 -21.133 -14.186 1.00 34.41 H new ATOM 0 HZ1 LYS A 33 7.977 -22.432 -12.152 1.00 52.43 H new ATOM 0 HZ2 LYS A 33 9.182 -21.363 -12.688 1.00 52.43 H new ATOM 0 HZ3 LYS A 33 8.227 -20.961 -11.342 1.00 52.43 H new ATOM 502 N LEU A 34 7.252 -17.465 -17.973 1.00 52.45 N ATOM 503 CA LEU A 34 6.408 -17.095 -19.104 1.00 53.24 C ATOM 504 C LEU A 34 5.211 -18.034 -19.220 1.00 40.45 C ATOM 505 O LEU A 34 5.371 -19.249 -19.328 1.00 41.51 O ATOM 506 CB LEU A 34 7.218 -17.121 -20.401 1.00 45.22 C ATOM 507 CG LEU A 34 7.045 -15.915 -21.325 1.00 42.13 C ATOM 508 CD1 LEU A 34 5.724 -16.001 -22.074 1.00 22.33 C ATOM 509 CD2 LEU A 34 7.127 -14.619 -20.532 1.00 2.10 C ATOM 0 H LEU A 34 7.480 -18.458 -17.924 1.00 52.45 H new ATOM 0 HA LEU A 34 6.039 -16.084 -18.934 1.00 53.24 H new ATOM 0 HB2 LEU A 34 8.274 -17.208 -20.145 1.00 45.22 H new ATOM 0 HB3 LEU A 34 6.949 -18.020 -20.956 1.00 45.22 H new ATOM 0 HG LEU A 34 7.854 -15.923 -22.055 1.00 42.13 H new ATOM 0 HD11 LEU A 34 5.619 -15.134 -22.726 1.00 22.33 H new ATOM 0 HD12 LEU A 34 5.704 -16.911 -22.674 1.00 22.33 H new ATOM 0 HD13 LEU A 34 4.901 -16.019 -21.359 1.00 22.33 H new ATOM 0 HD21 LEU A 34 7.002 -13.772 -21.206 1.00 2.10 H new ATOM 0 HD22 LEU A 34 6.339 -14.603 -19.779 1.00 2.10 H new ATOM 0 HD23 LEU A 34 8.099 -14.553 -20.043 1.00 2.10 H new ATOM 521 N ASN A 35 4.012 -17.461 -19.200 1.00 11.30 N ATOM 522 CA ASN A 35 2.788 -18.246 -19.305 1.00 33.33 C ATOM 523 C ASN A 35 2.668 -19.225 -18.140 1.00 62.25 C ATOM 524 O ASN A 35 2.039 -20.276 -18.263 1.00 2.44 O ATOM 525 CB ASN A 35 2.758 -19.008 -20.631 1.00 73.12 C ATOM 526 CG ASN A 35 2.539 -18.092 -21.819 1.00 42.45 C ATOM 527 OD1 ASN A 35 1.429 -17.613 -22.053 1.00 20.24 O ATOM 528 ND2 ASN A 35 3.601 -17.843 -22.578 1.00 34.02 N ATOM 0 H ASN A 35 3.862 -16.456 -19.112 1.00 11.30 H new ATOM 0 HA ASN A 35 1.942 -17.560 -19.269 1.00 33.33 H new ATOM 0 HB2 ASN A 35 3.697 -19.546 -20.759 1.00 73.12 H new ATOM 0 HB3 ASN A 35 1.964 -19.755 -20.600 1.00 73.12 H new ATOM 0 HD21 ASN A 35 3.515 -17.234 -23.391 1.00 34.02 H new ATOM 0 HD22 ASN A 35 4.502 -18.261 -22.347 1.00 34.02 H new ATOM 535 N GLU A 36 3.276 -18.872 -17.012 1.00 41.43 N ATOM 536 CA GLU A 36 3.238 -19.719 -15.827 1.00 34.45 C ATOM 537 C GLU A 36 3.483 -18.899 -14.563 1.00 64.43 C ATOM 538 O GLU A 36 4.234 -17.925 -14.581 1.00 2.34 O ATOM 539 CB GLU A 36 4.280 -20.834 -15.935 1.00 43.12 C ATOM 540 CG GLU A 36 4.132 -21.911 -14.874 1.00 62.41 C ATOM 541 CD GLU A 36 5.028 -23.108 -15.129 1.00 73.31 C ATOM 542 OE1 GLU A 36 4.987 -23.650 -16.254 1.00 32.13 O ATOM 543 OE2 GLU A 36 5.769 -23.503 -14.205 1.00 73.20 O ATOM 0 H GLU A 36 3.801 -18.005 -16.894 1.00 41.43 H new ATOM 0 HA GLU A 36 2.245 -20.165 -15.763 1.00 34.45 H new ATOM 0 HB2 GLU A 36 4.206 -21.294 -16.920 1.00 43.12 H new ATOM 0 HB3 GLU A 36 5.276 -20.397 -15.861 1.00 43.12 H new ATOM 0 HG2 GLU A 36 4.366 -21.488 -13.897 1.00 62.41 H new ATOM 0 HG3 GLU A 36 3.094 -22.240 -14.838 1.00 62.41 H new ATOM 550 N GLU A 37 2.844 -19.302 -13.469 1.00 61.35 N ATOM 551 CA GLU A 37 2.992 -18.604 -12.198 1.00 43.00 C ATOM 552 C GLU A 37 3.692 -19.488 -11.170 1.00 30.31 C ATOM 553 O GLU A 37 3.716 -20.712 -11.302 1.00 42.40 O ATOM 554 CB GLU A 37 1.625 -18.170 -11.667 1.00 14.41 C ATOM 555 CG GLU A 37 0.746 -19.329 -11.228 1.00 2.15 C ATOM 556 CD GLU A 37 -0.352 -18.900 -10.275 1.00 15.25 C ATOM 557 OE1 GLU A 37 -0.101 -18.002 -9.444 1.00 53.44 O ATOM 558 OE2 GLU A 37 -1.464 -19.463 -10.360 1.00 11.23 O ATOM 0 H GLU A 37 2.219 -20.108 -13.438 1.00 61.35 H new ATOM 0 HA GLU A 37 3.605 -17.719 -12.368 1.00 43.00 H new ATOM 0 HB2 GLU A 37 1.770 -17.495 -10.823 1.00 14.41 H new ATOM 0 HB3 GLU A 37 1.107 -17.605 -12.442 1.00 14.41 H new ATOM 0 HG2 GLU A 37 0.298 -19.794 -12.107 1.00 2.15 H new ATOM 0 HG3 GLU A 37 1.364 -20.087 -10.747 1.00 2.15 H new ATOM 565 N MET A 38 4.260 -18.860 -10.146 1.00 44.53 N ATOM 566 CA MET A 38 4.960 -19.589 -9.095 1.00 41.11 C ATOM 567 C MET A 38 4.191 -19.519 -7.780 1.00 13.41 C ATOM 568 O MET A 38 3.080 -18.992 -7.728 1.00 51.24 O ATOM 569 CB MET A 38 6.370 -19.025 -8.906 1.00 32.55 C ATOM 570 CG MET A 38 6.424 -17.506 -8.919 1.00 60.41 C ATOM 571 SD MET A 38 6.939 -16.844 -10.515 1.00 73.01 S ATOM 572 CE MET A 38 8.704 -16.682 -10.261 1.00 3.42 C ATOM 0 H MET A 38 4.249 -17.848 -10.022 1.00 44.53 H new ATOM 0 HA MET A 38 5.032 -20.634 -9.398 1.00 41.11 H new ATOM 0 HB2 MET A 38 6.773 -19.387 -7.960 1.00 32.55 H new ATOM 0 HB3 MET A 38 7.015 -19.410 -9.696 1.00 32.55 H new ATOM 0 HG2 MET A 38 5.441 -17.109 -8.665 1.00 60.41 H new ATOM 0 HG3 MET A 38 7.115 -17.164 -8.148 1.00 60.41 H new ATOM 0 HE1 MET A 38 9.215 -16.721 -11.223 1.00 3.42 H new ATOM 0 HE2 MET A 38 8.916 -15.729 -9.776 1.00 3.42 H new ATOM 0 HE3 MET A 38 9.057 -17.497 -9.629 1.00 3.42 H new ATOM 648 N GLY A 44 11.497 -18.586 -10.535 1.00 30.44 N ATOM 649 CA GLY A 44 10.877 -19.233 -11.677 1.00 3.43 C ATOM 650 C GLY A 44 11.894 -19.715 -12.692 1.00 21.20 C ATOM 651 O GLY A 44 12.658 -20.644 -12.424 1.00 15.40 O ATOM 0 HA2 GLY A 44 10.282 -20.079 -11.333 1.00 3.43 H new ATOM 0 HA3 GLY A 44 10.191 -18.536 -12.158 1.00 3.43 H new ATOM 655 N HIS A 45 11.904 -19.085 -13.862 1.00 64.25 N ATOM 656 CA HIS A 45 12.835 -19.457 -14.923 1.00 12.34 C ATOM 657 C HIS A 45 14.035 -18.515 -14.947 1.00 54.43 C ATOM 658 O HIS A 45 15.181 -18.952 -14.851 1.00 62.03 O ATOM 659 CB HIS A 45 12.129 -19.438 -16.279 1.00 22.51 C ATOM 660 CG HIS A 45 12.133 -20.765 -16.974 1.00 32.22 C ATOM 661 ND1 HIS A 45 11.618 -21.912 -16.408 1.00 74.43 N ATOM 662 CD2 HIS A 45 12.592 -21.123 -18.196 1.00 35.21 C ATOM 663 CE1 HIS A 45 11.761 -22.919 -17.252 1.00 31.13 C ATOM 664 NE2 HIS A 45 12.349 -22.467 -18.345 1.00 12.45 N ATOM 0 H HIS A 45 11.279 -18.315 -14.100 1.00 64.25 H new ATOM 0 HA HIS A 45 13.192 -20.467 -14.722 1.00 12.34 H new ATOM 0 HB2 HIS A 45 11.098 -19.114 -16.138 1.00 22.51 H new ATOM 0 HB3 HIS A 45 12.611 -18.700 -16.920 1.00 22.51 H new ATOM 0 HD2 HIS A 45 13.062 -20.473 -18.919 1.00 35.21 H new ATOM 0 HE1 HIS A 45 11.450 -23.938 -17.078 1.00 31.13 H new ATOM 0 HE2 HIS A 45 12.584 -23.025 -19.166 1.00 12.45 H new ATOM 672 N TRP A 46 13.762 -17.221 -15.077 1.00 62.32 N ATOM 673 CA TRP A 46 14.820 -16.218 -15.115 1.00 51.24 C ATOM 674 C TRP A 46 15.486 -16.077 -13.751 1.00 52.51 C ATOM 675 O TRP A 46 15.081 -16.720 -12.783 1.00 20.00 O ATOM 676 CB TRP A 46 14.255 -14.869 -15.563 1.00 41.41 C ATOM 677 CG TRP A 46 13.788 -14.863 -16.987 1.00 64.34 C ATOM 678 CD1 TRP A 46 14.541 -15.121 -18.097 1.00 70.44 C ATOM 679 CD2 TRP A 46 12.464 -14.584 -17.454 1.00 70.21 C ATOM 680 NE1 TRP A 46 13.764 -15.019 -19.226 1.00 61.52 N ATOM 681 CE2 TRP A 46 12.486 -14.692 -18.859 1.00 11.15 C ATOM 682 CE3 TRP A 46 11.261 -14.256 -16.823 1.00 4.04 C ATOM 683 CZ2 TRP A 46 11.352 -14.482 -19.639 1.00 0.54 C ATOM 684 CZ3 TRP A 46 10.137 -14.047 -17.598 1.00 61.23 C ATOM 685 CH2 TRP A 46 10.188 -14.161 -18.994 1.00 22.30 C ATOM 0 H TRP A 46 12.818 -16.843 -15.158 1.00 62.32 H new ATOM 0 HA TRP A 46 15.572 -16.546 -15.833 1.00 51.24 H new ATOM 0 HB2 TRP A 46 13.422 -14.599 -14.914 1.00 41.41 H new ATOM 0 HB3 TRP A 46 15.020 -14.103 -15.436 1.00 41.41 H new ATOM 0 HD1 TRP A 46 15.592 -15.369 -18.089 1.00 70.44 H new ATOM 0 HE1 TRP A 46 14.087 -15.164 -20.183 1.00 61.52 H new ATOM 0 HE3 TRP A 46 11.211 -14.167 -15.748 1.00 4.04 H new ATOM 0 HZ2 TRP A 46 11.389 -14.569 -20.715 1.00 0.54 H new ATOM 0 HZ3 TRP A 46 9.203 -13.791 -17.120 1.00 61.23 H new ATOM 0 HH2 TRP A 46 9.291 -13.992 -19.572 1.00 22.30 H new ATOM 696 N SER A 47 16.509 -15.231 -13.681 1.00 52.33 N ATOM 697 CA SER A 47 17.233 -15.008 -12.435 1.00 70.14 C ATOM 698 C SER A 47 18.354 -13.992 -12.633 1.00 30.24 C ATOM 699 O SER A 47 19.358 -14.278 -13.285 1.00 60.31 O ATOM 700 CB SER A 47 17.809 -16.326 -11.914 1.00 4.35 C ATOM 701 OG SER A 47 18.652 -16.931 -12.878 1.00 61.45 O ATOM 0 H SER A 47 16.855 -14.689 -14.473 1.00 52.33 H new ATOM 0 HA SER A 47 16.532 -14.610 -11.701 1.00 70.14 H new ATOM 0 HB2 SER A 47 18.371 -16.144 -10.998 1.00 4.35 H new ATOM 0 HB3 SER A 47 16.996 -17.006 -11.659 1.00 4.35 H new ATOM 0 HG SER A 47 19.182 -16.241 -13.328 1.00 61.45 H new ATOM 707 N ARG A 48 18.174 -12.805 -12.064 1.00 4.51 N ATOM 708 CA ARG A 48 19.169 -11.745 -12.178 1.00 2.24 C ATOM 709 C ARG A 48 18.967 -10.691 -11.093 1.00 3.03 C ATOM 710 O ARG A 48 17.871 -10.543 -10.553 1.00 33.50 O ATOM 711 CB ARG A 48 19.094 -11.091 -13.559 1.00 34.23 C ATOM 712 CG ARG A 48 20.423 -10.535 -14.043 1.00 32.11 C ATOM 713 CD ARG A 48 20.454 -9.017 -13.963 1.00 54.21 C ATOM 714 NE ARG A 48 20.853 -8.410 -15.230 1.00 73.22 N ATOM 715 CZ ARG A 48 22.074 -8.513 -15.742 1.00 23.13 C ATOM 716 NH1 ARG A 48 23.011 -9.196 -15.098 1.00 11.23 N ATOM 717 NH2 ARG A 48 22.361 -7.933 -16.900 1.00 51.11 N ATOM 0 H ARG A 48 17.349 -12.553 -11.520 1.00 4.51 H new ATOM 0 HA ARG A 48 20.155 -12.192 -12.048 1.00 2.24 H new ATOM 0 HB2 ARG A 48 18.733 -11.824 -14.280 1.00 34.23 H new ATOM 0 HB3 ARG A 48 18.361 -10.285 -13.530 1.00 34.23 H new ATOM 0 HG2 ARG A 48 21.232 -10.949 -13.442 1.00 32.11 H new ATOM 0 HG3 ARG A 48 20.597 -10.850 -15.072 1.00 32.11 H new ATOM 0 HD2 ARG A 48 19.468 -8.649 -13.679 1.00 54.21 H new ATOM 0 HD3 ARG A 48 21.147 -8.709 -13.180 1.00 54.21 H new ATOM 0 HE ARG A 48 20.156 -7.878 -15.750 1.00 73.22 H new ATOM 0 HH11 ARG A 48 22.795 -9.644 -14.207 1.00 11.23 H new ATOM 0 HH12 ARG A 48 23.948 -9.274 -15.493 1.00 11.23 H new ATOM 0 HH21 ARG A 48 21.643 -7.407 -17.399 1.00 51.11 H new ATOM 0 HH22 ARG A 48 23.299 -8.013 -17.292 1.00 51.11 H new ATOM 731 N ASP A 49 20.032 -9.962 -10.778 1.00 42.33 N ATOM 732 CA ASP A 49 19.972 -8.921 -9.758 1.00 63.23 C ATOM 733 C ASP A 49 20.779 -7.698 -10.182 1.00 3.11 C ATOM 734 O ASP A 49 21.987 -7.786 -10.408 1.00 34.54 O ATOM 735 CB ASP A 49 20.495 -9.455 -8.424 1.00 13.04 C ATOM 736 CG ASP A 49 21.917 -9.014 -8.141 1.00 24.43 C ATOM 737 OD1 ASP A 49 22.119 -7.820 -7.837 1.00 30.20 O ATOM 738 OD2 ASP A 49 22.830 -9.864 -8.224 1.00 14.30 O ATOM 0 H ASP A 49 20.947 -10.073 -11.214 1.00 42.33 H new ATOM 0 HA ASP A 49 18.930 -8.623 -9.638 1.00 63.23 H new ATOM 0 HB2 ASP A 49 19.845 -9.113 -7.619 1.00 13.04 H new ATOM 0 HB3 ASP A 49 20.450 -10.544 -8.429 1.00 13.04 H new ATOM 743 N ILE A 50 20.104 -6.558 -10.289 1.00 25.32 N ATOM 744 CA ILE A 50 20.759 -5.318 -10.685 1.00 40.23 C ATOM 745 C ILE A 50 21.168 -4.498 -9.466 1.00 51.13 C ATOM 746 O ILE A 50 20.322 -4.061 -8.685 1.00 51.44 O ATOM 747 CB ILE A 50 19.846 -4.462 -11.583 1.00 44.31 C ATOM 748 CG1 ILE A 50 19.370 -5.276 -12.787 1.00 74.43 C ATOM 749 CG2 ILE A 50 20.578 -3.209 -12.041 1.00 11.34 C ATOM 750 CD1 ILE A 50 20.406 -5.398 -13.883 1.00 35.22 C ATOM 0 H ILE A 50 19.104 -6.468 -10.107 1.00 25.32 H new ATOM 0 HA ILE A 50 21.650 -5.597 -11.247 1.00 40.23 H new ATOM 0 HB ILE A 50 18.973 -4.159 -11.005 1.00 44.31 H new ATOM 0 HG12 ILE A 50 19.088 -6.274 -12.452 1.00 74.43 H new ATOM 0 HG13 ILE A 50 18.473 -4.812 -13.197 1.00 74.43 H new ATOM 0 HG21 ILE A 50 19.920 -2.614 -12.675 1.00 11.34 H new ATOM 0 HG22 ILE A 50 20.873 -2.621 -11.171 1.00 11.34 H new ATOM 0 HG23 ILE A 50 21.466 -3.492 -12.605 1.00 11.34 H new ATOM 0 HD11 ILE A 50 19.999 -5.988 -14.704 1.00 35.22 H new ATOM 0 HD12 ILE A 50 20.670 -4.405 -14.246 1.00 35.22 H new ATOM 0 HD13 ILE A 50 21.296 -5.889 -13.489 1.00 35.22 H new ATOM 762 N THR A 51 22.472 -4.291 -9.309 1.00 53.12 N ATOM 763 CA THR A 51 22.994 -3.523 -8.186 1.00 12.10 C ATOM 764 C THR A 51 23.302 -2.088 -8.597 1.00 55.41 C ATOM 765 O THR A 51 24.230 -1.467 -8.078 1.00 72.40 O ATOM 766 CB THR A 51 24.270 -4.165 -7.611 1.00 64.22 C ATOM 767 OG1 THR A 51 25.210 -4.413 -8.663 1.00 21.33 O ATOM 768 CG2 THR A 51 23.946 -5.468 -6.896 1.00 72.23 C ATOM 0 H THR A 51 23.186 -4.645 -9.946 1.00 53.12 H new ATOM 0 HA THR A 51 22.220 -3.520 -7.419 1.00 12.10 H new ATOM 0 HB THR A 51 24.705 -3.473 -6.890 1.00 64.22 H new ATOM 0 HG1 THR A 51 26.019 -4.820 -8.289 1.00 21.33 H new ATOM 0 HG21 THR A 51 24.863 -5.903 -6.498 1.00 72.23 H new ATOM 0 HG22 THR A 51 23.253 -5.272 -6.078 1.00 72.23 H new ATOM 0 HG23 THR A 51 23.489 -6.165 -7.599 1.00 72.23 H new ATOM 776 N LYS A 52 22.516 -1.564 -9.532 1.00 44.33 N ATOM 777 CA LYS A 52 22.703 -0.200 -10.013 1.00 1.34 C ATOM 778 C LYS A 52 21.836 0.069 -11.239 1.00 23.33 C ATOM 779 O LYS A 52 21.689 -0.776 -12.122 1.00 23.42 O ATOM 780 CB LYS A 52 24.175 0.047 -10.352 1.00 30.44 C ATOM 781 CG LYS A 52 24.830 1.106 -9.482 1.00 63.32 C ATOM 782 CD LYS A 52 25.925 1.844 -10.233 1.00 43.43 C ATOM 783 CE LYS A 52 25.444 3.199 -10.730 1.00 2.35 C ATOM 784 NZ LYS A 52 26.499 4.243 -10.604 1.00 23.31 N ATOM 0 H LYS A 52 21.743 -2.064 -9.972 1.00 44.33 H new ATOM 0 HA LYS A 52 22.400 0.482 -9.219 1.00 1.34 H new ATOM 0 HB2 LYS A 52 24.725 -0.888 -10.248 1.00 30.44 H new ATOM 0 HB3 LYS A 52 24.253 0.348 -11.397 1.00 30.44 H new ATOM 0 HG2 LYS A 52 24.077 1.817 -9.143 1.00 63.32 H new ATOM 0 HG3 LYS A 52 25.250 0.638 -8.591 1.00 63.32 H new ATOM 0 HD2 LYS A 52 26.787 1.980 -9.580 1.00 43.43 H new ATOM 0 HD3 LYS A 52 26.257 1.242 -11.079 1.00 43.43 H new ATOM 0 HE2 LYS A 52 25.138 3.116 -11.773 1.00 2.35 H new ATOM 0 HE3 LYS A 52 24.564 3.502 -10.163 1.00 2.35 H new ATOM 0 HZ1 LYS A 52 26.132 5.151 -10.953 1.00 23.31 H new ATOM 0 HZ2 LYS A 52 26.773 4.341 -9.606 1.00 23.31 H new ATOM 0 HZ3 LYS A 52 27.330 3.967 -11.165 1.00 23.31 H new ATOM 798 N PRO A 53 21.249 1.273 -11.297 1.00 41.31 N ATOM 799 CA PRO A 53 20.389 1.681 -12.412 1.00 13.24 C ATOM 800 C PRO A 53 21.173 1.892 -13.702 1.00 51.32 C ATOM 801 O PRO A 53 22.389 1.704 -13.740 1.00 70.42 O ATOM 802 CB PRO A 53 19.787 3.003 -11.929 1.00 53.45 C ATOM 803 CG PRO A 53 20.774 3.533 -10.947 1.00 54.12 C ATOM 804 CD PRO A 53 21.380 2.330 -10.280 1.00 23.11 C ATOM 0 HA PRO A 53 19.646 0.921 -12.653 1.00 13.24 H new ATOM 0 HB2 PRO A 53 19.640 3.697 -12.757 1.00 53.45 H new ATOM 0 HB3 PRO A 53 18.812 2.848 -11.466 1.00 53.45 H new ATOM 0 HG2 PRO A 53 21.538 4.130 -11.445 1.00 54.12 H new ATOM 0 HG3 PRO A 53 20.289 4.181 -10.217 1.00 54.12 H new ATOM 0 HD2 PRO A 53 22.422 2.502 -10.011 1.00 23.11 H new ATOM 0 HD3 PRO A 53 20.853 2.072 -9.362 1.00 23.11 H new ATOM 812 N LYS A 54 20.470 2.285 -14.759 1.00 14.21 N ATOM 813 CA LYS A 54 21.100 2.524 -16.052 1.00 55.10 C ATOM 814 C LYS A 54 20.901 3.970 -16.495 1.00 74.13 C ATOM 815 O LYS A 54 21.865 4.714 -16.668 1.00 51.01 O ATOM 816 CB LYS A 54 20.526 1.573 -17.105 1.00 41.11 C ATOM 817 CG LYS A 54 21.059 1.823 -18.505 1.00 41.52 C ATOM 818 CD LYS A 54 20.132 1.253 -19.565 1.00 72.21 C ATOM 819 CE LYS A 54 20.194 -0.266 -19.600 1.00 72.54 C ATOM 820 NZ LYS A 54 20.059 -0.795 -20.986 1.00 64.01 N ATOM 0 H LYS A 54 19.463 2.445 -14.745 1.00 14.21 H new ATOM 0 HA LYS A 54 22.169 2.338 -15.948 1.00 55.10 H new ATOM 0 HB2 LYS A 54 20.752 0.546 -16.817 1.00 41.11 H new ATOM 0 HB3 LYS A 54 19.440 1.669 -17.116 1.00 41.11 H new ATOM 0 HG2 LYS A 54 21.179 2.895 -18.664 1.00 41.52 H new ATOM 0 HG3 LYS A 54 22.047 1.374 -18.605 1.00 41.52 H new ATOM 0 HD2 LYS A 54 19.109 1.572 -19.365 1.00 72.21 H new ATOM 0 HD3 LYS A 54 20.405 1.652 -20.542 1.00 72.21 H new ATOM 0 HE2 LYS A 54 21.140 -0.601 -19.174 1.00 72.54 H new ATOM 0 HE3 LYS A 54 19.400 -0.676 -18.976 1.00 72.54 H new ATOM 0 HZ1 LYS A 54 20.106 -1.834 -20.967 1.00 64.01 H new ATOM 0 HZ2 LYS A 54 19.145 -0.497 -21.384 1.00 64.01 H new ATOM 0 HZ3 LYS A 54 20.831 -0.424 -21.576 1.00 64.01 H new ATOM 834 N ASN A 55 19.643 4.361 -16.676 1.00 43.12 N ATOM 835 CA ASN A 55 19.318 5.719 -17.098 1.00 64.34 C ATOM 836 C ASN A 55 18.227 6.316 -16.216 1.00 13.20 C ATOM 837 O ASN A 55 17.166 6.708 -16.702 1.00 23.24 O ATOM 838 CB ASN A 55 18.869 5.726 -18.561 1.00 12.41 C ATOM 839 CG ASN A 55 20.017 5.983 -19.517 1.00 42.24 C ATOM 840 OD1 ASN A 55 20.838 6.873 -19.295 1.00 11.51 O ATOM 841 ND2 ASN A 55 20.080 5.202 -20.590 1.00 10.15 N ATOM 0 H ASN A 55 18.833 3.757 -16.537 1.00 43.12 H new ATOM 0 HA ASN A 55 20.215 6.329 -16.997 1.00 64.34 H new ATOM 0 HB2 ASN A 55 18.407 4.768 -18.801 1.00 12.41 H new ATOM 0 HB3 ASN A 55 18.106 6.491 -18.700 1.00 12.41 H new ATOM 0 HD21 ASN A 55 20.830 5.328 -21.269 1.00 10.15 H new ATOM 0 HD22 ASN A 55 19.378 4.476 -20.734 1.00 10.15 H new ATOM 848 N GLY A 56 18.495 6.383 -14.915 1.00 40.44 N ATOM 849 CA GLY A 56 17.527 6.935 -13.986 1.00 33.33 C ATOM 850 C GLY A 56 16.577 5.884 -13.447 1.00 32.54 C ATOM 851 O GLY A 56 16.072 6.007 -12.331 1.00 2.25 O ATOM 0 H GLY A 56 19.365 6.065 -14.488 1.00 40.44 H new ATOM 0 HA2 GLY A 56 18.053 7.406 -13.155 1.00 33.33 H new ATOM 0 HA3 GLY A 56 16.954 7.717 -14.485 1.00 33.33 H new ATOM 855 N ARG A 57 16.331 4.847 -14.241 1.00 41.14 N ATOM 856 CA ARG A 57 15.433 3.772 -13.839 1.00 31.44 C ATOM 857 C ARG A 57 16.119 2.414 -13.965 1.00 11.53 C ATOM 858 O ARG A 57 17.117 2.276 -14.671 1.00 44.12 O ATOM 859 CB ARG A 57 14.162 3.794 -14.690 1.00 62.22 C ATOM 860 CG ARG A 57 13.616 5.191 -14.933 1.00 44.44 C ATOM 861 CD ARG A 57 14.047 5.729 -16.289 1.00 54.32 C ATOM 862 NE ARG A 57 13.106 6.718 -16.809 1.00 41.31 N ATOM 863 CZ ARG A 57 11.931 6.405 -17.344 1.00 2.02 C ATOM 864 NH1 ARG A 57 11.554 5.137 -17.428 1.00 64.41 N ATOM 865 NH2 ARG A 57 11.130 7.362 -17.795 1.00 61.31 N ATOM 0 H ARG A 57 16.742 4.729 -15.167 1.00 41.14 H new ATOM 0 HA ARG A 57 15.165 3.929 -12.794 1.00 31.44 H new ATOM 0 HB2 ARG A 57 14.370 3.322 -15.650 1.00 62.22 H new ATOM 0 HB3 ARG A 57 13.396 3.194 -14.199 1.00 62.22 H new ATOM 0 HG2 ARG A 57 12.528 5.172 -14.877 1.00 44.44 H new ATOM 0 HG3 ARG A 57 13.964 5.861 -14.147 1.00 44.44 H new ATOM 0 HD2 ARG A 57 15.036 6.180 -16.203 1.00 54.32 H new ATOM 0 HD3 ARG A 57 14.133 4.904 -16.996 1.00 54.32 H new ATOM 0 HE ARG A 57 13.365 7.703 -16.759 1.00 41.31 H new ATOM 0 HH11 ARG A 57 12.167 4.399 -17.081 1.00 64.41 H new ATOM 0 HH12 ARG A 57 10.651 4.900 -17.839 1.00 64.41 H new ATOM 0 HH21 ARG A 57 11.416 8.339 -17.731 1.00 61.31 H new ATOM 0 HH22 ARG A 57 10.228 7.121 -18.206 1.00 61.31 H new ATOM 879 N TRP A 58 15.577 1.417 -13.275 1.00 53.42 N ATOM 880 CA TRP A 58 16.137 0.071 -13.310 1.00 0.23 C ATOM 881 C TRP A 58 15.653 -0.689 -14.540 1.00 14.34 C ATOM 882 O TRP A 58 14.631 -1.375 -14.494 1.00 1.32 O ATOM 883 CB TRP A 58 15.758 -0.694 -12.040 1.00 44.34 C ATOM 884 CG TRP A 58 16.080 0.051 -10.780 1.00 60.20 C ATOM 885 CD1 TRP A 58 15.327 1.024 -10.188 1.00 51.54 C ATOM 886 CD2 TRP A 58 17.240 -0.117 -9.958 1.00 2.10 C ATOM 887 NE1 TRP A 58 15.949 1.472 -9.048 1.00 42.20 N ATOM 888 CE2 TRP A 58 17.124 0.787 -8.884 1.00 40.20 C ATOM 889 CE3 TRP A 58 18.365 -0.944 -10.023 1.00 75.13 C ATOM 890 CZ2 TRP A 58 18.091 0.886 -7.887 1.00 14.12 C ATOM 891 CZ3 TRP A 58 19.323 -0.844 -9.033 1.00 21.51 C ATOM 892 CH2 TRP A 58 19.181 0.064 -7.976 1.00 2.31 C ATOM 0 H TRP A 58 14.751 1.515 -12.685 1.00 53.42 H new ATOM 0 HA TRP A 58 17.222 0.157 -13.364 1.00 0.23 H new ATOM 0 HB2 TRP A 58 14.690 -0.913 -12.061 1.00 44.34 H new ATOM 0 HB3 TRP A 58 16.280 -1.651 -12.031 1.00 44.34 H new ATOM 0 HD1 TRP A 58 14.381 1.388 -10.561 1.00 51.54 H new ATOM 0 HE1 TRP A 58 15.594 2.197 -8.425 1.00 42.20 H new ATOM 0 HE3 TRP A 58 18.483 -1.649 -10.833 1.00 75.13 H new ATOM 0 HZ2 TRP A 58 17.984 1.587 -7.072 1.00 14.12 H new ATOM 0 HZ3 TRP A 58 20.197 -1.477 -9.075 1.00 21.51 H new ATOM 0 HH2 TRP A 58 19.947 0.116 -7.216 1.00 2.31 H new ATOM 903 N ILE A 59 16.391 -0.562 -15.637 1.00 24.43 N ATOM 904 CA ILE A 59 16.037 -1.239 -16.878 1.00 75.10 C ATOM 905 C ILE A 59 16.766 -2.572 -17.005 1.00 73.32 C ATOM 906 O ILE A 59 17.963 -2.666 -16.733 1.00 52.11 O ATOM 907 CB ILE A 59 16.363 -0.369 -18.106 1.00 75.25 C ATOM 908 CG1 ILE A 59 15.809 1.045 -17.919 1.00 21.24 C ATOM 909 CG2 ILE A 59 15.796 -1.002 -19.369 1.00 24.12 C ATOM 910 CD1 ILE A 59 16.382 2.052 -18.891 1.00 73.13 C ATOM 0 H ILE A 59 17.238 0.004 -15.692 1.00 24.43 H new ATOM 0 HA ILE A 59 14.962 -1.418 -16.844 1.00 75.10 H new ATOM 0 HB ILE A 59 17.446 -0.304 -18.209 1.00 75.25 H new ATOM 0 HG12 ILE A 59 14.725 1.020 -18.032 1.00 21.24 H new ATOM 0 HG13 ILE A 59 16.016 1.376 -16.901 1.00 21.24 H new ATOM 0 HG21 ILE A 59 16.034 -0.376 -20.229 1.00 24.12 H new ATOM 0 HG22 ILE A 59 16.233 -1.991 -19.508 1.00 24.12 H new ATOM 0 HG23 ILE A 59 14.714 -1.094 -19.276 1.00 24.12 H new ATOM 0 HD11 ILE A 59 15.944 3.032 -18.700 1.00 73.13 H new ATOM 0 HD12 ILE A 59 17.463 2.106 -18.763 1.00 73.13 H new ATOM 0 HD13 ILE A 59 16.152 1.745 -19.911 1.00 73.13 H new ATOM 922 N PHE A 60 16.036 -3.602 -17.422 1.00 44.14 N ATOM 923 CA PHE A 60 16.614 -4.931 -17.587 1.00 54.21 C ATOM 924 C PHE A 60 16.157 -5.563 -18.899 1.00 24.33 C ATOM 925 O PHE A 60 15.175 -5.130 -19.500 1.00 53.24 O ATOM 926 CB PHE A 60 16.223 -5.829 -16.412 1.00 31.04 C ATOM 927 CG PHE A 60 16.559 -7.277 -16.626 1.00 25.01 C ATOM 928 CD1 PHE A 60 17.877 -7.705 -16.612 1.00 22.13 C ATOM 929 CD2 PHE A 60 15.558 -8.210 -16.841 1.00 62.20 C ATOM 930 CE1 PHE A 60 18.190 -9.037 -16.809 1.00 55.25 C ATOM 931 CE2 PHE A 60 15.864 -9.544 -17.039 1.00 4.51 C ATOM 932 CZ PHE A 60 17.182 -9.957 -17.022 1.00 71.31 C ATOM 0 H PHE A 60 15.044 -3.542 -17.652 1.00 44.14 H new ATOM 0 HA PHE A 60 17.699 -4.828 -17.612 1.00 54.21 H new ATOM 0 HB2 PHE A 60 16.727 -5.476 -15.512 1.00 31.04 H new ATOM 0 HB3 PHE A 60 15.152 -5.735 -16.234 1.00 31.04 H new ATOM 0 HD1 PHE A 60 18.669 -6.990 -16.445 1.00 22.13 H new ATOM 0 HD2 PHE A 60 14.526 -7.892 -16.854 1.00 62.20 H new ATOM 0 HE1 PHE A 60 19.221 -9.358 -16.796 1.00 55.25 H new ATOM 0 HE2 PHE A 60 15.074 -10.261 -17.207 1.00 4.51 H new ATOM 0 HZ PHE A 60 17.424 -10.998 -17.175 1.00 71.31 H new ATOM 942 N ARG A 61 16.879 -6.590 -19.336 1.00 33.32 N ATOM 943 CA ARG A 61 16.550 -7.282 -20.576 1.00 50.25 C ATOM 944 C ARG A 61 17.144 -8.687 -20.589 1.00 74.52 C ATOM 945 O ARG A 61 18.160 -8.949 -19.945 1.00 14.11 O ATOM 946 CB ARG A 61 17.064 -6.489 -21.779 1.00 44.51 C ATOM 947 CG ARG A 61 18.578 -6.504 -21.916 1.00 41.43 C ATOM 948 CD ARG A 61 19.256 -5.964 -20.667 1.00 1.12 C ATOM 949 NE ARG A 61 20.626 -5.532 -20.931 1.00 22.55 N ATOM 950 CZ ARG A 61 21.476 -5.160 -19.979 1.00 75.43 C ATOM 951 NH1 ARG A 61 21.097 -5.168 -18.709 1.00 4.55 N ATOM 952 NH2 ARG A 61 22.706 -4.781 -20.298 1.00 42.35 N ATOM 0 H ARG A 61 17.695 -6.961 -18.850 1.00 33.32 H new ATOM 0 HA ARG A 61 15.465 -7.364 -20.640 1.00 50.25 H new ATOM 0 HB2 ARG A 61 16.621 -6.896 -22.688 1.00 44.51 H new ATOM 0 HB3 ARG A 61 16.725 -5.456 -21.694 1.00 44.51 H new ATOM 0 HG2 ARG A 61 18.917 -7.523 -22.104 1.00 41.43 H new ATOM 0 HG3 ARG A 61 18.872 -5.906 -22.778 1.00 41.43 H new ATOM 0 HD2 ARG A 61 18.680 -5.125 -20.276 1.00 1.12 H new ATOM 0 HD3 ARG A 61 19.261 -6.734 -19.896 1.00 1.12 H new ATOM 0 HE ARG A 61 20.948 -5.515 -21.899 1.00 22.55 H new ATOM 0 HH11 ARG A 61 20.152 -5.460 -18.461 1.00 4.55 H new ATOM 0 HH12 ARG A 61 21.751 -4.882 -17.980 1.00 4.55 H new ATOM 0 HH21 ARG A 61 23.001 -4.775 -21.275 1.00 42.35 H new ATOM 0 HH22 ARG A 61 23.358 -4.496 -19.567 1.00 42.35 H new ATOM 966 N ASP A 62 16.502 -9.588 -21.326 1.00 5.01 N ATOM 967 CA ASP A 62 16.967 -10.967 -21.423 1.00 51.12 C ATOM 968 C ASP A 62 17.305 -11.326 -22.867 1.00 11.12 C ATOM 969 O ASP A 62 17.237 -10.481 -23.759 1.00 53.42 O ATOM 970 CB ASP A 62 15.904 -11.925 -20.882 1.00 5.23 C ATOM 971 CG ASP A 62 16.159 -12.317 -19.439 1.00 43.45 C ATOM 972 OD1 ASP A 62 17.322 -12.624 -19.105 1.00 63.34 O ATOM 973 OD2 ASP A 62 15.195 -12.316 -18.645 1.00 65.40 O ATOM 0 H ASP A 62 15.659 -9.388 -21.864 1.00 5.01 H new ATOM 0 HA ASP A 62 17.871 -11.063 -20.822 1.00 51.12 H new ATOM 0 HB2 ASP A 62 14.923 -11.456 -20.960 1.00 5.23 H new ATOM 0 HB3 ASP A 62 15.879 -12.822 -21.500 1.00 5.23 H new ATOM 978 N ARG A 63 17.670 -12.584 -23.088 1.00 63.42 N ATOM 979 CA ARG A 63 18.021 -13.054 -24.423 1.00 23.52 C ATOM 980 C ARG A 63 17.526 -14.481 -24.645 1.00 4.35 C ATOM 981 O ARG A 63 17.968 -15.165 -25.566 1.00 71.15 O ATOM 982 CB ARG A 63 19.536 -12.991 -24.627 1.00 21.51 C ATOM 983 CG ARG A 63 20.085 -11.575 -24.682 1.00 72.15 C ATOM 984 CD ARG A 63 21.400 -11.457 -23.928 1.00 14.04 C ATOM 985 NE ARG A 63 21.708 -10.073 -23.578 1.00 53.22 N ATOM 986 CZ ARG A 63 22.685 -9.724 -22.749 1.00 64.33 C ATOM 987 NH1 ARG A 63 23.446 -10.654 -22.188 1.00 1.10 N ATOM 988 NH2 ARG A 63 22.904 -8.443 -22.481 1.00 22.42 N ATOM 0 H ARG A 63 17.731 -13.296 -22.360 1.00 63.42 H new ATOM 0 HA ARG A 63 17.536 -12.402 -25.150 1.00 23.52 H new ATOM 0 HB2 ARG A 63 20.026 -13.530 -23.816 1.00 21.51 H new ATOM 0 HB3 ARG A 63 19.791 -13.507 -25.553 1.00 21.51 H new ATOM 0 HG2 ARG A 63 20.233 -11.281 -25.721 1.00 72.15 H new ATOM 0 HG3 ARG A 63 19.357 -10.885 -24.256 1.00 72.15 H new ATOM 0 HD2 ARG A 63 21.353 -12.058 -23.020 1.00 14.04 H new ATOM 0 HD3 ARG A 63 22.206 -11.864 -24.539 1.00 14.04 H new ATOM 0 HE ARG A 63 21.141 -9.334 -23.993 1.00 53.22 H new ATOM 0 HH11 ARG A 63 23.281 -11.640 -22.393 1.00 1.10 H new ATOM 0 HH12 ARG A 63 24.196 -10.384 -21.552 1.00 1.10 H new ATOM 0 HH21 ARG A 63 22.322 -7.725 -22.912 1.00 22.42 H new ATOM 0 HH22 ARG A 63 23.655 -8.176 -21.844 1.00 22.42 H new ATOM 1002 N ASN A 64 16.607 -14.922 -23.792 1.00 1.21 N ATOM 1003 CA ASN A 64 16.053 -16.267 -23.894 1.00 11.00 C ATOM 1004 C ASN A 64 14.531 -16.238 -23.789 1.00 1.32 C ATOM 1005 O ASN A 64 13.885 -17.281 -23.692 1.00 43.34 O ATOM 1006 CB ASN A 64 16.634 -17.165 -22.800 1.00 13.34 C ATOM 1007 CG ASN A 64 16.283 -16.679 -21.407 1.00 1.25 C ATOM 1008 OD1 ASN A 64 17.013 -15.886 -20.812 1.00 2.05 O ATOM 1009 ND2 ASN A 64 15.161 -17.154 -20.879 1.00 54.25 N ATOM 0 H ASN A 64 16.230 -14.368 -23.023 1.00 1.21 H new ATOM 0 HA ASN A 64 16.325 -16.672 -24.869 1.00 11.00 H new ATOM 0 HB2 ASN A 64 16.262 -18.181 -22.932 1.00 13.34 H new ATOM 0 HB3 ASN A 64 17.718 -17.206 -22.905 1.00 13.34 H new ATOM 0 HD21 ASN A 64 14.874 -16.863 -19.944 1.00 54.25 H new ATOM 0 HD22 ASN A 64 14.586 -17.810 -21.408 1.00 54.25 H new ATOM 1016 N ALA A 65 13.965 -15.035 -23.809 1.00 21.42 N ATOM 1017 CA ALA A 65 12.520 -14.870 -23.719 1.00 13.15 C ATOM 1018 C ALA A 65 11.893 -14.757 -25.104 1.00 15.51 C ATOM 1019 O ALA A 65 11.854 -13.676 -25.691 1.00 53.13 O ATOM 1020 CB ALA A 65 12.180 -13.646 -22.881 1.00 51.34 C ATOM 0 H ALA A 65 14.486 -14.161 -23.887 1.00 21.42 H new ATOM 0 HA ALA A 65 12.107 -15.755 -23.234 1.00 13.15 H new ATOM 0 HB1 ALA A 65 11.097 -13.535 -22.822 1.00 51.34 H new ATOM 0 HB2 ALA A 65 12.587 -13.768 -21.877 1.00 51.34 H new ATOM 0 HB3 ALA A 65 12.611 -12.758 -23.343 1.00 51.34 H new ATOM 1026 N ALA A 66 11.403 -15.879 -25.620 1.00 43.05 N ATOM 1027 CA ALA A 66 10.777 -15.905 -26.936 1.00 52.33 C ATOM 1028 C ALA A 66 9.266 -15.727 -26.829 1.00 21.23 C ATOM 1029 O ALA A 66 8.508 -16.692 -26.936 1.00 60.11 O ATOM 1030 CB ALA A 66 11.108 -17.206 -27.653 1.00 54.50 C ATOM 0 H ALA A 66 11.427 -16.782 -25.147 1.00 43.05 H new ATOM 0 HA ALA A 66 11.174 -15.072 -27.516 1.00 52.33 H new ATOM 0 HB1 ALA A 66 10.634 -17.211 -28.634 1.00 54.50 H new ATOM 0 HB2 ALA A 66 12.188 -17.292 -27.771 1.00 54.50 H new ATOM 0 HB3 ALA A 66 10.739 -18.048 -27.067 1.00 54.50 H new ATOM 1036 N LEU A 67 8.834 -14.489 -26.615 1.00 64.23 N ATOM 1037 CA LEU A 67 7.413 -14.185 -26.492 1.00 71.12 C ATOM 1038 C LEU A 67 7.000 -13.103 -27.485 1.00 13.25 C ATOM 1039 O LEU A 67 7.843 -12.493 -28.142 1.00 4.44 O ATOM 1040 CB LEU A 67 7.089 -13.736 -25.066 1.00 71.23 C ATOM 1041 CG LEU A 67 7.380 -12.271 -24.741 1.00 51.45 C ATOM 1042 CD1 LEU A 67 8.781 -11.892 -25.194 1.00 5.31 C ATOM 1043 CD2 LEU A 67 6.344 -11.365 -25.391 1.00 44.55 C ATOM 0 H LEU A 67 9.448 -13.679 -26.523 1.00 64.23 H new ATOM 0 HA LEU A 67 6.851 -15.092 -26.717 1.00 71.12 H new ATOM 0 HB2 LEU A 67 6.032 -13.926 -24.878 1.00 71.23 H new ATOM 0 HB3 LEU A 67 7.653 -14.360 -24.373 1.00 71.23 H new ATOM 0 HG LEU A 67 7.322 -12.140 -23.660 1.00 51.45 H new ATOM 0 HD11 LEU A 67 8.970 -10.846 -24.954 1.00 5.31 H new ATOM 0 HD12 LEU A 67 9.511 -12.519 -24.682 1.00 5.31 H new ATOM 0 HD13 LEU A 67 8.868 -12.039 -26.271 1.00 5.31 H new ATOM 0 HD21 LEU A 67 6.567 -10.326 -25.149 1.00 44.55 H new ATOM 0 HD22 LEU A 67 6.370 -11.500 -26.472 1.00 44.55 H new ATOM 0 HD23 LEU A 67 5.352 -11.620 -25.018 1.00 44.55 H new ATOM 1055 N LYS A 68 5.696 -12.868 -27.587 1.00 10.11 N ATOM 1056 CA LYS A 68 5.169 -11.857 -28.496 1.00 3.21 C ATOM 1057 C LYS A 68 3.783 -11.399 -28.056 1.00 14.34 C ATOM 1058 O LYS A 68 3.062 -12.134 -27.380 1.00 55.32 O ATOM 1059 CB LYS A 68 5.107 -12.407 -29.923 1.00 2.24 C ATOM 1060 CG LYS A 68 4.330 -13.707 -30.040 1.00 44.21 C ATOM 1061 CD LYS A 68 5.260 -14.901 -30.177 1.00 34.25 C ATOM 1062 CE LYS A 68 4.524 -16.122 -30.709 1.00 2.41 C ATOM 1063 NZ LYS A 68 5.424 -17.014 -31.491 1.00 10.01 N ATOM 0 H LYS A 68 4.984 -13.364 -27.051 1.00 10.11 H new ATOM 0 HA LYS A 68 5.840 -10.999 -28.473 1.00 3.21 H new ATOM 0 HB2 LYS A 68 4.649 -11.660 -30.572 1.00 2.24 H new ATOM 0 HB3 LYS A 68 6.122 -12.566 -30.287 1.00 2.24 H new ATOM 0 HG2 LYS A 68 3.699 -13.835 -29.161 1.00 44.21 H new ATOM 0 HG3 LYS A 68 3.667 -13.660 -30.904 1.00 44.21 H new ATOM 0 HD2 LYS A 68 6.081 -14.649 -30.848 1.00 34.25 H new ATOM 0 HD3 LYS A 68 5.700 -15.134 -29.207 1.00 34.25 H new ATOM 0 HE2 LYS A 68 4.095 -16.679 -29.876 1.00 2.41 H new ATOM 0 HE3 LYS A 68 3.694 -15.800 -31.339 1.00 2.41 H new ATOM 0 HZ1 LYS A 68 4.886 -17.834 -31.836 1.00 10.01 H new ATOM 0 HZ2 LYS A 68 5.814 -16.490 -32.300 1.00 10.01 H new ATOM 0 HZ3 LYS A 68 6.202 -17.342 -30.883 1.00 10.01 H new ATOM 1077 N ILE A 69 3.416 -10.182 -28.443 1.00 53.03 N ATOM 1078 CA ILE A 69 2.114 -9.628 -28.090 1.00 63.33 C ATOM 1079 C ILE A 69 1.069 -10.729 -27.947 1.00 21.33 C ATOM 1080 O ILE A 69 0.812 -11.482 -28.885 1.00 52.34 O ATOM 1081 CB ILE A 69 1.631 -8.611 -29.141 1.00 64.32 C ATOM 1082 CG1 ILE A 69 2.613 -7.442 -29.240 1.00 64.12 C ATOM 1083 CG2 ILE A 69 0.237 -8.111 -28.793 1.00 24.32 C ATOM 1084 CD1 ILE A 69 2.263 -6.280 -28.337 1.00 73.41 C ATOM 0 H ILE A 69 4.002 -9.561 -29.001 1.00 53.03 H new ATOM 0 HA ILE A 69 2.236 -9.119 -27.134 1.00 63.33 H new ATOM 0 HB ILE A 69 1.586 -9.106 -30.111 1.00 64.32 H new ATOM 0 HG12 ILE A 69 3.613 -7.796 -28.991 1.00 64.12 H new ATOM 0 HG13 ILE A 69 2.646 -7.092 -30.272 1.00 64.12 H new ATOM 0 HG21 ILE A 69 -0.090 -7.393 -29.545 1.00 24.32 H new ATOM 0 HG22 ILE A 69 -0.456 -8.952 -28.769 1.00 24.32 H new ATOM 0 HG23 ILE A 69 0.257 -7.629 -27.816 1.00 24.32 H new ATOM 0 HD11 ILE A 69 3.002 -5.488 -28.460 1.00 73.41 H new ATOM 0 HD12 ILE A 69 1.276 -5.899 -28.600 1.00 73.41 H new ATOM 0 HD13 ILE A 69 2.258 -6.614 -27.299 1.00 73.41 H new ATOM 1096 N GLY A 70 0.468 -10.816 -26.764 1.00 74.40 N ATOM 1097 CA GLY A 70 -0.545 -11.827 -26.519 1.00 64.23 C ATOM 1098 C GLY A 70 -0.185 -12.739 -25.363 1.00 35.21 C ATOM 1099 O GLY A 70 -1.066 -13.275 -24.690 1.00 21.14 O ATOM 0 H GLY A 70 0.664 -10.205 -25.971 1.00 74.40 H new ATOM 0 HA2 GLY A 70 -1.497 -11.340 -26.311 1.00 64.23 H new ATOM 0 HA3 GLY A 70 -0.683 -12.425 -27.420 1.00 64.23 H new ATOM 1103 N ASP A 71 1.111 -12.917 -25.133 1.00 34.43 N ATOM 1104 CA ASP A 71 1.584 -13.772 -24.050 1.00 4.31 C ATOM 1105 C ASP A 71 1.220 -13.180 -22.692 1.00 30.22 C ATOM 1106 O ASP A 71 0.478 -12.201 -22.608 1.00 20.34 O ATOM 1107 CB ASP A 71 3.099 -13.962 -24.147 1.00 71.14 C ATOM 1108 CG ASP A 71 3.478 -15.343 -24.645 1.00 71.02 C ATOM 1109 OD1 ASP A 71 2.597 -16.038 -25.194 1.00 4.22 O ATOM 1110 OD2 ASP A 71 4.655 -15.729 -24.485 1.00 71.43 O ATOM 0 H ASP A 71 1.853 -12.481 -25.681 1.00 34.43 H new ATOM 0 HA ASP A 71 1.096 -14.742 -24.146 1.00 4.31 H new ATOM 0 HB2 ASP A 71 3.514 -13.210 -24.818 1.00 71.14 H new ATOM 0 HB3 ASP A 71 3.547 -13.797 -23.167 1.00 71.14 H new ATOM 1115 N LYS A 72 1.746 -13.781 -21.630 1.00 72.50 N ATOM 1116 CA LYS A 72 1.477 -13.315 -20.275 1.00 20.41 C ATOM 1117 C LYS A 72 2.669 -13.582 -19.361 1.00 41.03 C ATOM 1118 O LYS A 72 3.597 -14.303 -19.731 1.00 13.44 O ATOM 1119 CB LYS A 72 0.229 -14.002 -19.716 1.00 12.34 C ATOM 1120 CG LYS A 72 -1.008 -13.121 -19.731 1.00 53.41 C ATOM 1121 CD LYS A 72 -2.279 -13.945 -19.855 1.00 23.11 C ATOM 1122 CE LYS A 72 -3.112 -13.509 -21.050 1.00 12.31 C ATOM 1123 NZ LYS A 72 -4.197 -14.482 -21.354 1.00 54.14 N ATOM 0 H LYS A 72 2.362 -14.593 -21.682 1.00 72.50 H new ATOM 0 HA LYS A 72 1.306 -12.239 -20.315 1.00 20.41 H new ATOM 0 HB2 LYS A 72 0.030 -14.903 -20.296 1.00 12.34 H new ATOM 0 HB3 LYS A 72 0.427 -14.319 -18.692 1.00 12.34 H new ATOM 0 HG2 LYS A 72 -1.045 -12.529 -18.817 1.00 53.41 H new ATOM 0 HG3 LYS A 72 -0.946 -12.419 -20.563 1.00 53.41 H new ATOM 0 HD2 LYS A 72 -2.022 -15.000 -19.955 1.00 23.11 H new ATOM 0 HD3 LYS A 72 -2.869 -13.846 -18.944 1.00 23.11 H new ATOM 0 HE2 LYS A 72 -3.548 -12.530 -20.851 1.00 12.31 H new ATOM 0 HE3 LYS A 72 -2.467 -13.400 -21.922 1.00 12.31 H new ATOM 0 HZ1 LYS A 72 -4.742 -14.149 -22.175 1.00 54.14 H new ATOM 0 HZ2 LYS A 72 -3.781 -15.411 -21.569 1.00 54.14 H new ATOM 0 HZ3 LYS A 72 -4.827 -14.567 -20.531 1.00 54.14 H new ATOM 1137 N ILE A 73 2.637 -12.998 -18.168 1.00 54.13 N ATOM 1138 CA ILE A 73 3.713 -13.175 -17.202 1.00 23.20 C ATOM 1139 C ILE A 73 3.178 -13.163 -15.774 1.00 61.31 C ATOM 1140 O ILE A 73 2.228 -12.445 -15.462 1.00 43.41 O ATOM 1141 CB ILE A 73 4.785 -12.079 -17.346 1.00 0.54 C ATOM 1142 CG1 ILE A 73 5.376 -12.095 -18.757 1.00 4.53 C ATOM 1143 CG2 ILE A 73 5.879 -12.267 -16.305 1.00 34.01 C ATOM 1144 CD1 ILE A 73 6.238 -10.890 -19.064 1.00 63.14 C ATOM 0 H ILE A 73 1.877 -12.398 -17.848 1.00 54.13 H new ATOM 0 HA ILE A 73 4.166 -14.144 -17.409 1.00 23.20 H new ATOM 0 HB ILE A 73 4.316 -11.109 -17.180 1.00 0.54 H new ATOM 0 HG12 ILE A 73 5.971 -12.999 -18.883 1.00 4.53 H new ATOM 0 HG13 ILE A 73 4.564 -12.145 -19.482 1.00 4.53 H new ATOM 0 HG21 ILE A 73 6.629 -11.485 -16.420 1.00 34.01 H new ATOM 0 HG22 ILE A 73 5.445 -12.210 -15.307 1.00 34.01 H new ATOM 0 HG23 ILE A 73 6.348 -13.242 -16.442 1.00 34.01 H new ATOM 0 HD11 ILE A 73 6.624 -10.968 -20.081 1.00 63.14 H new ATOM 0 HD12 ILE A 73 5.641 -9.983 -18.971 1.00 63.14 H new ATOM 0 HD13 ILE A 73 7.071 -10.850 -18.362 1.00 63.14 H new ATOM 1156 N TYR A 74 3.795 -13.962 -14.911 1.00 34.35 N ATOM 1157 CA TYR A 74 3.380 -14.045 -13.515 1.00 41.41 C ATOM 1158 C TYR A 74 4.572 -14.338 -12.609 1.00 71.51 C ATOM 1159 O TYR A 74 5.046 -15.472 -12.536 1.00 24.20 O ATOM 1160 CB TYR A 74 2.314 -15.127 -13.341 1.00 33.20 C ATOM 1161 CG TYR A 74 1.400 -15.275 -14.537 1.00 11.15 C ATOM 1162 CD1 TYR A 74 1.729 -16.124 -15.586 1.00 72.11 C ATOM 1163 CD2 TYR A 74 0.208 -14.565 -14.617 1.00 45.13 C ATOM 1164 CE1 TYR A 74 0.897 -16.262 -16.681 1.00 5.12 C ATOM 1165 CE2 TYR A 74 -0.630 -14.697 -15.707 1.00 64.54 C ATOM 1166 CZ TYR A 74 -0.281 -15.547 -16.737 1.00 3.14 C ATOM 1167 OH TYR A 74 -1.112 -15.681 -17.825 1.00 11.31 O ATOM 0 H TYR A 74 4.584 -14.561 -15.153 1.00 34.35 H new ATOM 0 HA TYR A 74 2.959 -13.081 -13.230 1.00 41.41 H new ATOM 0 HB2 TYR A 74 2.805 -16.081 -13.149 1.00 33.20 H new ATOM 0 HB3 TYR A 74 1.713 -14.895 -12.462 1.00 33.20 H new ATOM 0 HD1 TYR A 74 2.650 -16.686 -15.545 1.00 72.11 H new ATOM 0 HD2 TYR A 74 -0.068 -13.899 -13.813 1.00 45.13 H new ATOM 0 HE1 TYR A 74 1.168 -16.926 -17.488 1.00 5.12 H new ATOM 0 HE2 TYR A 74 -1.553 -14.138 -15.753 1.00 64.54 H new ATOM 0 HH TYR A 74 -2.041 -15.537 -17.547 1.00 11.31 H new ATOM 1177 N PHE A 75 5.051 -13.308 -11.919 1.00 73.45 N ATOM 1178 CA PHE A 75 6.187 -13.454 -11.018 1.00 24.23 C ATOM 1179 C PHE A 75 6.245 -12.298 -10.023 1.00 75.14 C ATOM 1180 O PHE A 75 5.302 -11.514 -9.912 1.00 60.12 O ATOM 1181 CB PHE A 75 7.492 -13.522 -11.814 1.00 40.42 C ATOM 1182 CG PHE A 75 7.912 -12.200 -12.390 1.00 52.52 C ATOM 1183 CD1 PHE A 75 7.059 -11.488 -13.218 1.00 42.44 C ATOM 1184 CD2 PHE A 75 9.159 -11.669 -12.104 1.00 3.13 C ATOM 1185 CE1 PHE A 75 7.442 -10.270 -13.750 1.00 22.42 C ATOM 1186 CE2 PHE A 75 9.548 -10.452 -12.632 1.00 34.12 C ATOM 1187 CZ PHE A 75 8.689 -9.753 -13.457 1.00 14.42 C ATOM 0 H PHE A 75 4.670 -12.363 -11.967 1.00 73.45 H new ATOM 0 HA PHE A 75 6.060 -14.383 -10.462 1.00 24.23 H new ATOM 0 HB2 PHE A 75 8.285 -13.895 -11.166 1.00 40.42 H new ATOM 0 HB3 PHE A 75 7.377 -14.242 -12.624 1.00 40.42 H new ATOM 0 HD1 PHE A 75 6.084 -11.889 -13.451 1.00 42.44 H new ATOM 0 HD2 PHE A 75 9.835 -12.212 -11.461 1.00 3.13 H new ATOM 0 HE1 PHE A 75 6.767 -9.724 -14.393 1.00 22.42 H new ATOM 0 HE2 PHE A 75 10.522 -10.048 -12.400 1.00 34.12 H new ATOM 0 HZ PHE A 75 8.992 -8.803 -13.873 1.00 14.42 H new ATOM 1197 N TRP A 76 7.356 -12.200 -9.303 1.00 50.02 N ATOM 1198 CA TRP A 76 7.537 -11.140 -8.317 1.00 74.43 C ATOM 1199 C TRP A 76 8.963 -10.602 -8.352 1.00 14.02 C ATOM 1200 O TRP A 76 9.912 -11.344 -8.607 1.00 73.05 O ATOM 1201 CB TRP A 76 7.207 -11.658 -6.916 1.00 44.11 C ATOM 1202 CG TRP A 76 7.174 -13.154 -6.828 1.00 54.31 C ATOM 1203 CD1 TRP A 76 8.234 -14.006 -6.947 1.00 2.11 C ATOM 1204 CD2 TRP A 76 6.021 -13.973 -6.604 1.00 61.14 C ATOM 1205 NE1 TRP A 76 7.810 -15.306 -6.811 1.00 3.24 N ATOM 1206 CE2 TRP A 76 6.457 -15.313 -6.599 1.00 0.42 C ATOM 1207 CE3 TRP A 76 4.664 -13.706 -6.406 1.00 51.12 C ATOM 1208 CZ2 TRP A 76 5.583 -16.379 -6.404 1.00 50.31 C ATOM 1209 CZ3 TRP A 76 3.798 -14.765 -6.214 1.00 34.15 C ATOM 1210 CH2 TRP A 76 4.260 -16.088 -6.213 1.00 15.03 C ATOM 0 H TRP A 76 8.145 -12.841 -9.383 1.00 50.02 H new ATOM 0 HA TRP A 76 6.856 -10.326 -8.565 1.00 74.43 H new ATOM 0 HB2 TRP A 76 7.946 -11.276 -6.212 1.00 44.11 H new ATOM 0 HB3 TRP A 76 6.239 -11.262 -6.609 1.00 44.11 H new ATOM 0 HD1 TRP A 76 9.256 -13.703 -7.122 1.00 2.11 H new ATOM 0 HE1 TRP A 76 8.406 -16.132 -6.860 1.00 3.24 H new ATOM 0 HE3 TRP A 76 4.299 -12.690 -6.403 1.00 51.12 H new ATOM 0 HZ2 TRP A 76 5.937 -17.399 -6.404 1.00 50.31 H new ATOM 0 HZ3 TRP A 76 2.747 -14.570 -6.062 1.00 34.15 H new ATOM 0 HH2 TRP A 76 3.558 -16.894 -6.058 1.00 15.03 H new ATOM 1221 N THR A 77 9.108 -9.306 -8.093 1.00 30.12 N ATOM 1222 CA THR A 77 10.419 -8.669 -8.095 1.00 55.53 C ATOM 1223 C THR A 77 10.825 -8.242 -6.689 1.00 62.14 C ATOM 1224 O THR A 77 9.985 -8.132 -5.796 1.00 24.42 O ATOM 1225 CB THR A 77 10.442 -7.437 -9.020 1.00 43.11 C ATOM 1226 OG1 THR A 77 9.198 -6.734 -8.932 1.00 73.33 O ATOM 1227 CG2 THR A 77 10.698 -7.848 -10.462 1.00 51.13 C ATOM 0 H THR A 77 8.334 -8.677 -7.879 1.00 30.12 H new ATOM 0 HA THR A 77 11.129 -9.408 -8.467 1.00 55.53 H new ATOM 0 HB THR A 77 11.251 -6.782 -8.696 1.00 43.11 H new ATOM 0 HG1 THR A 77 9.222 -5.952 -9.522 1.00 73.33 H new ATOM 0 HG21 THR A 77 10.710 -6.962 -11.096 1.00 51.13 H new ATOM 0 HG22 THR A 77 11.660 -8.356 -10.530 1.00 51.13 H new ATOM 0 HG23 THR A 77 9.908 -8.521 -10.794 1.00 51.13 H new ATOM 1235 N PHE A 78 12.118 -8.002 -6.500 1.00 24.02 N ATOM 1236 CA PHE A 78 12.637 -7.587 -5.201 1.00 74.43 C ATOM 1237 C PHE A 78 13.498 -6.335 -5.334 1.00 54.31 C ATOM 1238 O PHE A 78 14.294 -6.211 -6.264 1.00 64.03 O ATOM 1239 CB PHE A 78 13.453 -8.717 -4.570 1.00 45.22 C ATOM 1240 CG PHE A 78 12.907 -9.189 -3.253 1.00 54.42 C ATOM 1241 CD1 PHE A 78 11.968 -10.207 -3.203 1.00 11.45 C ATOM 1242 CD2 PHE A 78 13.332 -8.615 -2.066 1.00 15.50 C ATOM 1243 CE1 PHE A 78 11.463 -10.642 -1.992 1.00 54.20 C ATOM 1244 CE2 PHE A 78 12.830 -9.046 -0.852 1.00 40.03 C ATOM 1245 CZ PHE A 78 11.895 -10.062 -0.815 1.00 41.24 C ATOM 0 H PHE A 78 12.826 -8.088 -7.229 1.00 24.02 H new ATOM 0 HA PHE A 78 11.789 -7.356 -4.556 1.00 74.43 H new ATOM 0 HB2 PHE A 78 13.488 -9.559 -5.262 1.00 45.22 H new ATOM 0 HB3 PHE A 78 14.479 -8.378 -4.428 1.00 45.22 H new ATOM 0 HD1 PHE A 78 11.627 -10.665 -4.120 1.00 11.45 H new ATOM 0 HD2 PHE A 78 14.064 -7.821 -2.089 1.00 15.50 H new ATOM 0 HE1 PHE A 78 10.731 -11.435 -1.966 1.00 54.20 H new ATOM 0 HE2 PHE A 78 13.168 -8.589 0.066 1.00 40.03 H new ATOM 0 HZ PHE A 78 11.503 -10.402 0.132 1.00 41.24 H new ATOM 1255 N VAL A 79 13.331 -5.407 -4.397 1.00 14.02 N ATOM 1256 CA VAL A 79 14.092 -4.164 -4.408 1.00 10.44 C ATOM 1257 C VAL A 79 14.480 -3.744 -2.994 1.00 72.31 C ATOM 1258 O VAL A 79 14.109 -4.397 -2.018 1.00 74.34 O ATOM 1259 CB VAL A 79 13.295 -3.023 -5.069 1.00 63.41 C ATOM 1260 CG1 VAL A 79 13.383 -3.120 -6.585 1.00 3.44 C ATOM 1261 CG2 VAL A 79 11.846 -3.050 -4.608 1.00 52.33 C ATOM 0 H VAL A 79 12.675 -5.493 -3.621 1.00 14.02 H new ATOM 0 HA VAL A 79 14.995 -4.352 -4.989 1.00 10.44 H new ATOM 0 HB VAL A 79 13.732 -2.072 -4.763 1.00 63.41 H new ATOM 0 HG11 VAL A 79 12.814 -2.306 -7.035 1.00 3.44 H new ATOM 0 HG12 VAL A 79 14.426 -3.049 -6.894 1.00 3.44 H new ATOM 0 HG13 VAL A 79 12.972 -4.075 -6.913 1.00 3.44 H new ATOM 0 HG21 VAL A 79 11.297 -2.237 -5.084 1.00 52.33 H new ATOM 0 HG22 VAL A 79 11.394 -4.003 -4.883 1.00 52.33 H new ATOM 0 HG23 VAL A 79 11.806 -2.929 -3.525 1.00 52.33 H new ATOM 1271 N ILE A 80 15.228 -2.651 -2.892 1.00 12.05 N ATOM 1272 CA ILE A 80 15.665 -2.144 -1.597 1.00 14.42 C ATOM 1273 C ILE A 80 15.899 -0.638 -1.647 1.00 51.42 C ATOM 1274 O ILE A 80 16.952 -0.176 -2.087 1.00 70.05 O ATOM 1275 CB ILE A 80 16.957 -2.837 -1.127 1.00 32.40 C ATOM 1276 CG1 ILE A 80 16.737 -4.347 -1.009 1.00 10.14 C ATOM 1277 CG2 ILE A 80 17.416 -2.258 0.203 1.00 40.45 C ATOM 1278 CD1 ILE A 80 17.977 -5.108 -0.594 1.00 42.54 C ATOM 0 H ILE A 80 15.544 -2.100 -3.690 1.00 12.05 H new ATOM 0 HA ILE A 80 14.867 -2.363 -0.888 1.00 14.42 H new ATOM 0 HB ILE A 80 17.737 -2.658 -1.867 1.00 32.40 H new ATOM 0 HG12 ILE A 80 15.945 -4.535 -0.284 1.00 10.14 H new ATOM 0 HG13 ILE A 80 16.389 -4.731 -1.968 1.00 10.14 H new ATOM 0 HG21 ILE A 80 18.330 -2.759 0.522 1.00 40.45 H new ATOM 0 HG22 ILE A 80 17.607 -1.191 0.089 1.00 40.45 H new ATOM 0 HG23 ILE A 80 16.640 -2.409 0.953 1.00 40.45 H new ATOM 0 HD11 ILE A 80 17.747 -6.172 -0.531 1.00 42.54 H new ATOM 0 HD12 ILE A 80 18.764 -4.950 -1.331 1.00 42.54 H new ATOM 0 HD13 ILE A 80 18.314 -4.751 0.379 1.00 42.54 H new ATOM 1290 N LYS A 81 14.911 0.125 -1.191 1.00 72.15 N ATOM 1291 CA LYS A 81 15.009 1.580 -1.181 1.00 32.42 C ATOM 1292 C LYS A 81 15.065 2.111 0.248 1.00 32.30 C ATOM 1293 O LYS A 81 14.375 1.607 1.135 1.00 44.10 O ATOM 1294 CB LYS A 81 13.819 2.197 -1.919 1.00 71.13 C ATOM 1295 CG LYS A 81 13.742 3.709 -1.793 1.00 25.41 C ATOM 1296 CD LYS A 81 12.389 4.156 -1.267 1.00 2.45 C ATOM 1297 CE LYS A 81 12.389 5.637 -0.919 1.00 14.13 C ATOM 1298 NZ LYS A 81 11.697 5.903 0.373 1.00 4.12 N ATOM 0 H LYS A 81 14.033 -0.241 -0.823 1.00 72.15 H new ATOM 0 HA LYS A 81 15.930 1.861 -1.691 1.00 32.42 H new ATOM 0 HB2 LYS A 81 13.880 1.931 -2.974 1.00 71.13 H new ATOM 0 HB3 LYS A 81 12.897 1.761 -1.533 1.00 71.13 H new ATOM 0 HG2 LYS A 81 14.528 4.060 -1.124 1.00 25.41 H new ATOM 0 HG3 LYS A 81 13.924 4.166 -2.766 1.00 25.41 H new ATOM 0 HD2 LYS A 81 11.622 3.957 -2.016 1.00 2.45 H new ATOM 0 HD3 LYS A 81 12.130 3.573 -0.383 1.00 2.45 H new ATOM 0 HE2 LYS A 81 13.416 5.997 -0.862 1.00 14.13 H new ATOM 0 HE3 LYS A 81 11.899 6.197 -1.715 1.00 14.13 H new ATOM 0 HZ1 LYS A 81 11.255 6.844 0.343 1.00 4.12 H new ATOM 0 HZ2 LYS A 81 10.965 5.181 0.530 1.00 4.12 H new ATOM 0 HZ3 LYS A 81 12.388 5.870 1.150 1.00 4.12 H new ATOM 1312 N ASP A 82 15.888 3.131 0.463 1.00 24.42 N ATOM 1313 CA ASP A 82 16.032 3.732 1.784 1.00 21.31 C ATOM 1314 C ASP A 82 16.156 2.657 2.860 1.00 74.13 C ATOM 1315 O ASP A 82 15.707 2.841 3.990 1.00 2.43 O ATOM 1316 CB ASP A 82 14.839 4.640 2.087 1.00 22.53 C ATOM 1317 CG ASP A 82 15.257 6.068 2.376 1.00 23.12 C ATOM 1318 OD1 ASP A 82 16.163 6.263 3.214 1.00 41.53 O ATOM 1319 OD2 ASP A 82 14.679 6.990 1.764 1.00 5.01 O ATOM 0 H ASP A 82 16.466 3.559 -0.260 1.00 24.42 H new ATOM 0 HA ASP A 82 16.944 4.330 1.787 1.00 21.31 H new ATOM 0 HB2 ASP A 82 14.154 4.630 1.239 1.00 22.53 H new ATOM 0 HB3 ASP A 82 14.293 4.244 2.943 1.00 22.53 H new ATOM 1324 N GLY A 83 16.766 1.532 2.498 1.00 5.54 N ATOM 1325 CA GLY A 83 16.937 0.444 3.443 1.00 12.23 C ATOM 1326 C GLY A 83 15.616 -0.070 3.980 1.00 54.21 C ATOM 1327 O GLY A 83 15.511 -0.429 5.153 1.00 22.44 O ATOM 0 H GLY A 83 17.145 1.355 1.568 1.00 5.54 H new ATOM 0 HA2 GLY A 83 17.472 -0.373 2.959 1.00 12.23 H new ATOM 0 HA3 GLY A 83 17.557 0.782 4.274 1.00 12.23 H new ATOM 1331 N LEU A 84 14.603 -0.104 3.121 1.00 40.33 N ATOM 1332 CA LEU A 84 13.280 -0.576 3.515 1.00 24.12 C ATOM 1333 C LEU A 84 13.053 -2.011 3.049 1.00 1.51 C ATOM 1334 O LEU A 84 12.656 -2.873 3.832 1.00 44.14 O ATOM 1335 CB LEU A 84 12.198 0.337 2.938 1.00 52.51 C ATOM 1336 CG LEU A 84 11.791 1.528 3.807 1.00 51.34 C ATOM 1337 CD1 LEU A 84 11.577 2.766 2.949 1.00 3.13 C ATOM 1338 CD2 LEU A 84 10.534 1.204 4.601 1.00 2.11 C ATOM 0 H LEU A 84 14.673 0.190 2.147 1.00 40.33 H new ATOM 0 HA LEU A 84 13.223 -0.553 4.603 1.00 24.12 H new ATOM 0 HB2 LEU A 84 12.545 0.716 1.977 1.00 52.51 H new ATOM 0 HB3 LEU A 84 11.310 -0.264 2.742 1.00 52.51 H new ATOM 0 HG LEU A 84 12.598 1.733 4.510 1.00 51.34 H new ATOM 0 HD11 LEU A 84 11.288 3.603 3.584 1.00 3.13 H new ATOM 0 HD12 LEU A 84 12.501 3.010 2.425 1.00 3.13 H new ATOM 0 HD13 LEU A 84 10.788 2.573 2.222 1.00 3.13 H new ATOM 0 HD21 LEU A 84 10.259 2.063 5.214 1.00 2.11 H new ATOM 0 HD22 LEU A 84 9.720 0.972 3.915 1.00 2.11 H new ATOM 0 HD23 LEU A 84 10.722 0.344 5.245 1.00 2.11 H new ATOM 1350 N GLY A 85 13.310 -2.259 1.768 1.00 15.02 N ATOM 1351 CA GLY A 85 13.129 -3.591 1.220 1.00 2.33 C ATOM 1352 C GLY A 85 11.693 -3.863 0.819 1.00 10.20 C ATOM 1353 O GLY A 85 10.833 -4.081 1.673 1.00 63.31 O ATOM 0 H GLY A 85 13.640 -1.562 1.100 1.00 15.02 H new ATOM 0 HA2 GLY A 85 13.775 -3.714 0.351 1.00 2.33 H new ATOM 0 HA3 GLY A 85 13.443 -4.330 1.957 1.00 2.33 H new ATOM 1357 N TYR A 86 11.432 -3.848 -0.483 1.00 74.32 N ATOM 1358 CA TYR A 86 10.088 -4.091 -0.996 1.00 24.41 C ATOM 1359 C TYR A 86 10.085 -5.251 -1.987 1.00 21.42 C ATOM 1360 O TYR A 86 11.105 -5.909 -2.194 1.00 4.53 O ATOM 1361 CB TYR A 86 9.540 -2.831 -1.667 1.00 62.02 C ATOM 1362 CG TYR A 86 9.295 -1.690 -0.705 1.00 64.34 C ATOM 1363 CD1 TYR A 86 8.078 -1.559 -0.048 1.00 23.41 C ATOM 1364 CD2 TYR A 86 10.280 -0.743 -0.455 1.00 24.12 C ATOM 1365 CE1 TYR A 86 7.850 -0.518 0.831 1.00 34.52 C ATOM 1366 CE2 TYR A 86 10.061 0.300 0.424 1.00 41.23 C ATOM 1367 CZ TYR A 86 8.844 0.408 1.064 1.00 3.30 C ATOM 1368 OH TYR A 86 8.621 1.447 1.939 1.00 65.12 O ATOM 0 H TYR A 86 12.133 -3.670 -1.203 1.00 74.32 H new ATOM 0 HA TYR A 86 9.447 -4.354 -0.154 1.00 24.41 H new ATOM 0 HB2 TYR A 86 10.242 -2.504 -2.434 1.00 62.02 H new ATOM 0 HB3 TYR A 86 8.606 -3.076 -2.173 1.00 62.02 H new ATOM 0 HD1 TYR A 86 7.297 -2.283 -0.227 1.00 23.41 H new ATOM 0 HD2 TYR A 86 11.233 -0.823 -0.956 1.00 24.12 H new ATOM 0 HE1 TYR A 86 6.898 -0.430 1.333 1.00 34.52 H new ATOM 0 HE2 TYR A 86 10.838 1.027 0.609 1.00 41.23 H new ATOM 0 HH TYR A 86 7.987 1.162 2.630 1.00 65.12 H new ATOM 1378 N ARG A 87 8.930 -5.496 -2.597 1.00 63.31 N ATOM 1379 CA ARG A 87 8.792 -6.577 -3.566 1.00 43.22 C ATOM 1380 C ARG A 87 7.379 -6.614 -4.141 1.00 64.41 C ATOM 1381 O ARG A 87 6.398 -6.496 -3.408 1.00 21.11 O ATOM 1382 CB ARG A 87 9.125 -7.920 -2.915 1.00 24.32 C ATOM 1383 CG ARG A 87 8.619 -9.120 -3.699 1.00 55.40 C ATOM 1384 CD ARG A 87 7.581 -9.903 -2.910 1.00 52.22 C ATOM 1385 NE ARG A 87 8.172 -10.606 -1.775 1.00 63.11 N ATOM 1386 CZ ARG A 87 8.142 -10.147 -0.529 1.00 54.21 C ATOM 1387 NH1 ARG A 87 7.551 -8.991 -0.259 1.00 50.25 N ATOM 1388 NH2 ARG A 87 8.702 -10.845 0.450 1.00 2.45 N ATOM 0 H ARG A 87 8.076 -4.961 -2.438 1.00 63.31 H new ATOM 0 HA ARG A 87 9.493 -6.393 -4.381 1.00 43.22 H new ATOM 0 HB2 ARG A 87 10.206 -8.001 -2.801 1.00 24.32 H new ATOM 0 HB3 ARG A 87 8.696 -7.945 -1.913 1.00 24.32 H new ATOM 0 HG2 ARG A 87 8.185 -8.784 -4.641 1.00 55.40 H new ATOM 0 HG3 ARG A 87 9.456 -9.772 -3.949 1.00 55.40 H new ATOM 0 HD2 ARG A 87 6.808 -9.222 -2.552 1.00 52.22 H new ATOM 0 HD3 ARG A 87 7.093 -10.622 -3.568 1.00 52.22 H new ATOM 0 HE ARG A 87 8.633 -11.499 -1.949 1.00 63.11 H new ATOM 0 HH11 ARG A 87 7.118 -8.452 -1.009 1.00 50.25 H new ATOM 0 HH12 ARG A 87 7.529 -8.641 0.699 1.00 50.25 H new ATOM 0 HH21 ARG A 87 9.156 -11.735 0.246 1.00 2.45 H new ATOM 0 HH22 ARG A 87 8.678 -10.492 1.406 1.00 2.45 H new ATOM 1402 N GLN A 88 7.285 -6.779 -5.457 1.00 25.35 N ATOM 1403 CA GLN A 88 5.993 -6.831 -6.129 1.00 72.11 C ATOM 1404 C GLN A 88 5.350 -8.204 -5.967 1.00 74.43 C ATOM 1405 O GLN A 88 6.041 -9.208 -5.794 1.00 62.25 O ATOM 1406 CB GLN A 88 6.153 -6.502 -7.614 1.00 43.22 C ATOM 1407 CG GLN A 88 4.868 -6.031 -8.275 1.00 71.14 C ATOM 1408 CD GLN A 88 4.671 -4.532 -8.167 1.00 11.12 C ATOM 1409 OE1 GLN A 88 5.188 -3.891 -7.251 1.00 53.12 O ATOM 1410 NE2 GLN A 88 3.920 -3.964 -9.103 1.00 43.24 N ATOM 0 H GLN A 88 8.088 -6.879 -6.078 1.00 25.35 H new ATOM 0 HA GLN A 88 5.342 -6.088 -5.668 1.00 72.11 H new ATOM 0 HB2 GLN A 88 6.914 -5.730 -7.726 1.00 43.22 H new ATOM 0 HB3 GLN A 88 6.517 -7.387 -8.136 1.00 43.22 H new ATOM 0 HG2 GLN A 88 4.879 -6.317 -9.327 1.00 71.14 H new ATOM 0 HG3 GLN A 88 4.020 -6.539 -7.815 1.00 71.14 H new ATOM 0 HE21 GLN A 88 3.511 -4.533 -9.844 1.00 43.24 H new ATOM 0 HE22 GLN A 88 3.752 -2.958 -9.081 1.00 43.24 H new ATOM 1419 N ASP A 89 4.023 -8.241 -6.024 1.00 71.10 N ATOM 1420 CA ASP A 89 3.286 -9.492 -5.884 1.00 51.25 C ATOM 1421 C ASP A 89 2.169 -9.583 -6.920 1.00 24.00 C ATOM 1422 O ASP A 89 2.143 -8.823 -7.887 1.00 60.20 O ATOM 1423 CB ASP A 89 2.703 -9.610 -4.476 1.00 33.35 C ATOM 1424 CG ASP A 89 1.247 -9.192 -4.415 1.00 12.04 C ATOM 1425 OD1 ASP A 89 0.965 -7.991 -4.611 1.00 44.01 O ATOM 1426 OD2 ASP A 89 0.389 -10.066 -4.171 1.00 54.42 O ATOM 0 H ASP A 89 3.436 -7.419 -6.166 1.00 71.10 H new ATOM 0 HA ASP A 89 3.981 -10.315 -6.051 1.00 51.25 H new ATOM 0 HB2 ASP A 89 2.797 -10.640 -4.132 1.00 33.35 H new ATOM 0 HB3 ASP A 89 3.284 -8.992 -3.792 1.00 33.35 H new ATOM 1431 N ASN A 90 1.250 -10.519 -6.710 1.00 73.20 N ATOM 1432 CA ASN A 90 0.131 -10.711 -7.626 1.00 64.13 C ATOM 1433 C ASN A 90 0.554 -11.542 -8.834 1.00 42.32 C ATOM 1434 O ASN A 90 -0.185 -12.412 -9.292 1.00 54.43 O ATOM 1435 CB ASN A 90 -0.414 -9.358 -8.089 1.00 63.51 C ATOM 1436 CG ASN A 90 -1.926 -9.285 -8.005 1.00 71.33 C ATOM 1437 OD1 ASN A 90 -2.488 -8.264 -7.609 1.00 33.30 O ATOM 1438 ND2 ASN A 90 -2.592 -10.372 -8.379 1.00 54.52 N ATOM 0 H ASN A 90 1.258 -11.157 -5.914 1.00 73.20 H new ATOM 0 HA ASN A 90 -0.654 -11.249 -7.094 1.00 64.13 H new ATOM 0 HB2 ASN A 90 0.020 -8.566 -7.478 1.00 63.51 H new ATOM 0 HB3 ASN A 90 -0.101 -9.176 -9.117 1.00 63.51 H new ATOM 0 HD21 ASN A 90 -3.611 -10.383 -8.345 1.00 54.52 H new ATOM 0 HD22 ASN A 90 -2.084 -11.196 -8.701 1.00 54.52 H new ATOM 1445 N GLY A 91 1.751 -11.267 -9.345 1.00 54.23 N ATOM 1446 CA GLY A 91 2.252 -11.997 -10.495 1.00 32.22 C ATOM 1447 C GLY A 91 1.225 -12.107 -11.605 1.00 2.03 C ATOM 1448 O GLY A 91 0.530 -13.116 -11.717 1.00 52.23 O ATOM 0 H GLY A 91 2.382 -10.552 -8.983 1.00 54.23 H new ATOM 0 HA2 GLY A 91 3.143 -11.499 -10.877 1.00 32.22 H new ATOM 0 HA3 GLY A 91 2.554 -12.997 -10.183 1.00 32.22 H new ATOM 1452 N GLU A 92 1.129 -11.065 -12.425 1.00 62.41 N ATOM 1453 CA GLU A 92 0.178 -11.049 -13.530 1.00 34.31 C ATOM 1454 C GLU A 92 0.426 -9.853 -14.444 1.00 72.13 C ATOM 1455 O GLU A 92 0.229 -8.704 -14.048 1.00 24.31 O ATOM 1456 CB GLU A 92 -1.256 -11.009 -12.997 1.00 10.23 C ATOM 1457 CG GLU A 92 -2.311 -10.962 -14.090 1.00 3.25 C ATOM 1458 CD GLU A 92 -3.699 -10.683 -13.548 1.00 54.54 C ATOM 1459 OE1 GLU A 92 -4.158 -11.445 -12.671 1.00 50.55 O ATOM 1460 OE2 GLU A 92 -4.327 -9.703 -14.001 1.00 55.03 O ATOM 0 H GLU A 92 1.698 -10.222 -12.345 1.00 62.41 H new ATOM 0 HA GLU A 92 0.318 -11.962 -14.109 1.00 34.31 H new ATOM 0 HB2 GLU A 92 -1.428 -11.888 -12.375 1.00 10.23 H new ATOM 0 HB3 GLU A 92 -1.372 -10.136 -12.354 1.00 10.23 H new ATOM 0 HG2 GLU A 92 -2.046 -10.191 -14.813 1.00 3.25 H new ATOM 0 HG3 GLU A 92 -2.318 -11.912 -14.625 1.00 3.25 H new ATOM 1467 N TRP A 93 0.859 -10.132 -15.668 1.00 52.14 N ATOM 1468 CA TRP A 93 1.135 -9.079 -16.640 1.00 33.25 C ATOM 1469 C TRP A 93 1.014 -9.608 -18.065 1.00 23.05 C ATOM 1470 O TRP A 93 1.811 -10.441 -18.498 1.00 43.45 O ATOM 1471 CB TRP A 93 2.533 -8.502 -16.413 1.00 52.21 C ATOM 1472 CG TRP A 93 2.662 -7.745 -15.126 1.00 33.34 C ATOM 1473 CD1 TRP A 93 2.255 -6.464 -14.883 1.00 72.35 C ATOM 1474 CD2 TRP A 93 3.238 -8.223 -13.905 1.00 42.32 C ATOM 1475 NE1 TRP A 93 2.544 -6.117 -13.586 1.00 12.41 N ATOM 1476 CE2 TRP A 93 3.146 -7.178 -12.965 1.00 25.25 C ATOM 1477 CE3 TRP A 93 3.821 -9.431 -13.515 1.00 20.33 C ATOM 1478 CZ2 TRP A 93 3.617 -7.308 -11.661 1.00 2.34 C ATOM 1479 CZ3 TRP A 93 4.288 -9.558 -12.220 1.00 60.14 C ATOM 1480 CH2 TRP A 93 4.183 -8.502 -11.306 1.00 3.24 C ATOM 0 H TRP A 93 1.027 -11.078 -16.011 1.00 52.14 H new ATOM 0 HA TRP A 93 0.397 -8.289 -16.503 1.00 33.25 H new ATOM 0 HB2 TRP A 93 3.259 -9.315 -16.422 1.00 52.21 H new ATOM 0 HB3 TRP A 93 2.784 -7.840 -17.242 1.00 52.21 H new ATOM 0 HD1 TRP A 93 1.776 -5.819 -15.605 1.00 72.35 H new ATOM 0 HE1 TRP A 93 2.343 -5.215 -13.155 1.00 12.41 H new ATOM 0 HE3 TRP A 93 3.905 -10.251 -14.213 1.00 20.33 H new ATOM 0 HZ2 TRP A 93 3.538 -6.495 -10.955 1.00 2.34 H new ATOM 0 HZ3 TRP A 93 4.741 -10.487 -11.908 1.00 60.14 H new ATOM 0 HH2 TRP A 93 4.556 -8.633 -10.301 1.00 3.24 H new ATOM 1491 N THR A 94 0.013 -9.120 -18.790 1.00 11.30 N ATOM 1492 CA THR A 94 -0.212 -9.544 -20.166 1.00 21.10 C ATOM 1493 C THR A 94 0.577 -8.680 -21.144 1.00 31.44 C ATOM 1494 O THR A 94 0.603 -7.455 -21.024 1.00 22.51 O ATOM 1495 CB THR A 94 -1.706 -9.484 -20.535 1.00 51.24 C ATOM 1496 OG1 THR A 94 -2.458 -10.351 -19.679 1.00 1.42 O ATOM 1497 CG2 THR A 94 -1.921 -9.885 -21.987 1.00 32.52 C ATOM 0 H THR A 94 -0.655 -8.430 -18.447 1.00 11.30 H new ATOM 0 HA THR A 94 0.131 -10.576 -20.239 1.00 21.10 H new ATOM 0 HB THR A 94 -2.049 -8.458 -20.403 1.00 51.24 H new ATOM 0 HG1 THR A 94 -3.407 -10.305 -19.919 1.00 1.42 H new ATOM 0 HG21 THR A 94 -2.984 -9.835 -22.225 1.00 32.52 H new ATOM 0 HG22 THR A 94 -1.371 -9.205 -22.638 1.00 32.52 H new ATOM 0 HG23 THR A 94 -1.562 -10.903 -22.140 1.00 32.52 H new ATOM 1505 N VAL A 95 1.219 -9.326 -22.112 1.00 73.40 N ATOM 1506 CA VAL A 95 2.007 -8.617 -23.112 1.00 42.42 C ATOM 1507 C VAL A 95 1.123 -7.727 -23.979 1.00 61.10 C ATOM 1508 O VAL A 95 0.272 -8.216 -24.721 1.00 63.33 O ATOM 1509 CB VAL A 95 2.777 -9.596 -24.018 1.00 51.34 C ATOM 1510 CG1 VAL A 95 3.780 -8.847 -24.883 1.00 72.30 C ATOM 1511 CG2 VAL A 95 3.471 -10.661 -23.183 1.00 10.22 C ATOM 0 H VAL A 95 1.209 -10.340 -22.225 1.00 73.40 H new ATOM 0 HA VAL A 95 2.721 -7.997 -22.570 1.00 42.42 H new ATOM 0 HB VAL A 95 2.064 -10.091 -24.677 1.00 51.34 H new ATOM 0 HG11 VAL A 95 4.315 -9.555 -25.516 1.00 72.30 H new ATOM 0 HG12 VAL A 95 3.254 -8.126 -25.509 1.00 72.30 H new ATOM 0 HG13 VAL A 95 4.491 -8.323 -24.245 1.00 72.30 H new ATOM 0 HG21 VAL A 95 4.010 -11.344 -23.839 1.00 10.22 H new ATOM 0 HG22 VAL A 95 4.173 -10.186 -22.498 1.00 10.22 H new ATOM 0 HG23 VAL A 95 2.728 -11.217 -22.612 1.00 10.22 H new ATOM 1521 N GLU A 96 1.331 -6.418 -23.879 1.00 44.13 N ATOM 1522 CA GLU A 96 0.552 -5.460 -24.655 1.00 2.12 C ATOM 1523 C GLU A 96 1.463 -4.444 -25.338 1.00 61.12 C ATOM 1524 O GLU A 96 0.999 -3.575 -26.076 1.00 23.44 O ATOM 1525 CB GLU A 96 -0.451 -4.737 -23.754 1.00 11.41 C ATOM 1526 CG GLU A 96 -1.720 -5.532 -23.495 1.00 1.51 C ATOM 1527 CD GLU A 96 -2.973 -4.777 -23.895 1.00 61.11 C ATOM 1528 OE1 GLU A 96 -3.030 -4.286 -25.042 1.00 22.22 O ATOM 1529 OE2 GLU A 96 -3.897 -4.678 -23.061 1.00 21.13 O ATOM 0 H GLU A 96 2.032 -5.997 -23.269 1.00 44.13 H new ATOM 0 HA GLU A 96 0.009 -6.010 -25.424 1.00 2.12 H new ATOM 0 HB2 GLU A 96 0.027 -4.511 -22.801 1.00 11.41 H new ATOM 0 HB3 GLU A 96 -0.716 -3.784 -24.212 1.00 11.41 H new ATOM 0 HG2 GLU A 96 -1.675 -6.471 -24.046 1.00 1.51 H new ATOM 0 HG3 GLU A 96 -1.776 -5.786 -22.436 1.00 1.51 H new ATOM 1536 N GLY A 97 2.764 -4.560 -25.086 1.00 74.33 N ATOM 1537 CA GLY A 97 3.719 -3.646 -25.684 1.00 24.25 C ATOM 1538 C GLY A 97 4.642 -4.335 -26.669 1.00 44.22 C ATOM 1539 O GLY A 97 4.477 -5.519 -26.962 1.00 25.30 O ATOM 0 H GLY A 97 3.173 -5.270 -24.479 1.00 74.33 H new ATOM 0 HA2 GLY A 97 3.182 -2.846 -26.193 1.00 24.25 H new ATOM 0 HA3 GLY A 97 4.314 -3.181 -24.898 1.00 24.25 H new ATOM 1543 N PHE A 98 5.616 -3.591 -27.184 1.00 61.53 N ATOM 1544 CA PHE A 98 6.568 -4.137 -28.145 1.00 75.04 C ATOM 1545 C PHE A 98 7.874 -3.350 -28.124 1.00 4.42 C ATOM 1546 O PHE A 98 7.906 -2.188 -27.718 1.00 53.33 O ATOM 1547 CB PHE A 98 5.970 -4.117 -29.554 1.00 22.11 C ATOM 1548 CG PHE A 98 6.114 -5.421 -30.285 1.00 21.44 C ATOM 1549 CD1 PHE A 98 5.652 -6.600 -29.722 1.00 71.33 C ATOM 1550 CD2 PHE A 98 6.712 -5.469 -31.534 1.00 1.34 C ATOM 1551 CE1 PHE A 98 5.782 -7.802 -30.392 1.00 63.41 C ATOM 1552 CE2 PHE A 98 6.845 -6.668 -32.208 1.00 51.53 C ATOM 1553 CZ PHE A 98 6.381 -7.836 -31.636 1.00 54.14 C ATOM 0 H PHE A 98 5.767 -2.609 -26.952 1.00 61.53 H new ATOM 0 HA PHE A 98 6.781 -5.168 -27.862 1.00 75.04 H new ATOM 0 HB2 PHE A 98 4.912 -3.862 -29.488 1.00 22.11 H new ATOM 0 HB3 PHE A 98 6.452 -3.330 -30.133 1.00 22.11 H new ATOM 0 HD1 PHE A 98 5.185 -6.579 -28.748 1.00 71.33 H new ATOM 0 HD2 PHE A 98 7.078 -4.559 -31.986 1.00 1.34 H new ATOM 0 HE1 PHE A 98 5.416 -8.713 -29.943 1.00 63.41 H new ATOM 0 HE2 PHE A 98 7.312 -6.692 -33.182 1.00 51.53 H new ATOM 0 HZ PHE A 98 6.486 -8.774 -32.160 1.00 54.14 H new ATOM 1563 N VAL A 99 8.952 -3.992 -28.563 1.00 4.41 N ATOM 1564 CA VAL A 99 10.263 -3.353 -28.595 1.00 14.40 C ATOM 1565 C VAL A 99 11.255 -4.175 -29.409 1.00 42.21 C ATOM 1566 O VAL A 99 10.993 -5.330 -29.743 1.00 61.33 O ATOM 1567 CB VAL A 99 10.823 -3.150 -27.175 1.00 23.22 C ATOM 1568 CG1 VAL A 99 10.640 -1.708 -26.729 1.00 1.44 C ATOM 1569 CG2 VAL A 99 10.157 -4.108 -26.198 1.00 43.31 C ATOM 0 H VAL A 99 8.944 -4.954 -28.901 1.00 4.41 H new ATOM 0 HA VAL A 99 10.130 -2.380 -29.067 1.00 14.40 H new ATOM 0 HB VAL A 99 11.891 -3.367 -27.190 1.00 23.22 H new ATOM 0 HG11 VAL A 99 11.042 -1.584 -25.723 1.00 1.44 H new ATOM 0 HG12 VAL A 99 11.168 -1.045 -27.415 1.00 1.44 H new ATOM 0 HG13 VAL A 99 9.579 -1.459 -26.729 1.00 1.44 H new ATOM 0 HG21 VAL A 99 10.565 -3.951 -25.199 1.00 43.31 H new ATOM 0 HG22 VAL A 99 9.083 -3.925 -26.184 1.00 43.31 H new ATOM 0 HG23 VAL A 99 10.346 -5.135 -26.510 1.00 43.31 H new ATOM 1579 N ASP A 100 12.396 -3.572 -29.725 1.00 11.53 N ATOM 1580 CA ASP A 100 13.430 -4.248 -30.499 1.00 20.31 C ATOM 1581 C ASP A 100 14.778 -4.172 -29.789 1.00 30.04 C ATOM 1582 O ASP A 100 15.216 -3.096 -29.383 1.00 32.12 O ATOM 1583 CB ASP A 100 13.539 -3.631 -31.894 1.00 10.21 C ATOM 1584 CG ASP A 100 12.260 -3.779 -32.694 1.00 52.20 C ATOM 1585 OD1 ASP A 100 11.175 -3.820 -32.077 1.00 13.53 O ATOM 1586 OD2 ASP A 100 12.344 -3.853 -33.938 1.00 34.04 O ATOM 0 H ASP A 100 12.628 -2.616 -29.457 1.00 11.53 H new ATOM 0 HA ASP A 100 13.149 -5.297 -30.595 1.00 20.31 H new ATOM 0 HB2 ASP A 100 13.786 -2.573 -31.802 1.00 10.21 H new ATOM 0 HB3 ASP A 100 14.359 -4.104 -32.434 1.00 10.21 H new ATOM 1591 N GLU A 101 15.430 -5.321 -29.642 1.00 33.43 N ATOM 1592 CA GLU A 101 16.727 -5.384 -28.978 1.00 52.24 C ATOM 1593 C GLU A 101 17.840 -4.926 -29.916 1.00 61.24 C ATOM 1594 O GLU A 101 18.865 -5.594 -30.053 1.00 74.01 O ATOM 1595 CB GLU A 101 17.008 -6.807 -28.492 1.00 33.11 C ATOM 1596 CG GLU A 101 17.845 -6.863 -27.225 1.00 72.10 C ATOM 1597 CD GLU A 101 17.455 -8.015 -26.319 1.00 3.00 C ATOM 1598 OE1 GLU A 101 16.850 -8.985 -26.821 1.00 34.11 O ATOM 1599 OE2 GLU A 101 17.756 -7.947 -25.109 1.00 14.50 O ATOM 0 H GLU A 101 15.082 -6.221 -29.974 1.00 33.43 H new ATOM 0 HA GLU A 101 16.700 -4.714 -28.119 1.00 52.24 H new ATOM 0 HB2 GLU A 101 16.060 -7.315 -28.314 1.00 33.11 H new ATOM 0 HB3 GLU A 101 17.521 -7.357 -29.281 1.00 33.11 H new ATOM 0 HG2 GLU A 101 18.897 -6.957 -27.493 1.00 72.10 H new ATOM 0 HG3 GLU A 101 17.737 -5.925 -26.681 1.00 72.10 H new ATOM 1606 N ALA A 102 17.630 -3.783 -30.561 1.00 2.12 N ATOM 1607 CA ALA A 102 18.615 -3.235 -31.485 1.00 4.24 C ATOM 1608 C ALA A 102 19.277 -1.989 -30.906 1.00 11.41 C ATOM 1609 O ALA A 102 18.619 -1.163 -30.271 1.00 62.01 O ATOM 1610 CB ALA A 102 17.964 -2.916 -32.822 1.00 65.14 C ATOM 0 H ALA A 102 16.786 -3.219 -30.460 1.00 2.12 H new ATOM 0 HA ALA A 102 19.389 -3.987 -31.640 1.00 4.24 H new ATOM 0 HB1 ALA A 102 18.711 -2.507 -33.502 1.00 65.14 H new ATOM 0 HB2 ALA A 102 17.544 -3.827 -33.249 1.00 65.14 H new ATOM 0 HB3 ALA A 102 17.169 -2.185 -32.674 1.00 65.14 H new