USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 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= -2.11! C(o=-2.1!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.45 USER MOD Single : A 26 SER OG : rot -25:sc= 0.383 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -1.59 F(o=-3.4!,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.23! C(o=-7.7!,f=-3.2!) USER MOD Single : A 38 MET CE :methyl 138:sc= -2.44 (180deg=-5.45!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 35:sc= 0.679 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+ -118:sc= -0.539 (180deg=-2.83!) USER MOD Single : A 55 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 64 ASN : amide:sc= 0.164 X(o=0.16,f=-0.25) 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 180:sc= -0.904 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -107:sc= 0.34 (180deg=-0.213) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.288 USER MOD Single : A 88 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.51) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.191 -2.052 -3.601 1.00 73.21 N ATOM 38 CA ALA A 3 6.978 -1.835 -4.808 1.00 41.43 C ATOM 39 C ALA A 3 6.099 -1.354 -5.958 1.00 1.22 C ATOM 40 O ALA A 3 4.950 -1.769 -6.108 1.00 13.21 O ATOM 41 CB ALA A 3 7.709 -3.110 -5.198 1.00 65.54 C ATOM 0 HA ALA A 3 7.713 -1.058 -4.597 1.00 41.43 H new ATOM 0 HB1 ALA A 3 8.293 -2.933 -6.101 1.00 65.54 H new ATOM 0 HB2 ALA A 3 8.375 -3.410 -4.389 1.00 65.54 H new ATOM 0 HB3 ALA A 3 6.984 -3.903 -5.384 1.00 65.54 H new ATOM 47 N PRO A 4 6.650 -0.457 -6.790 1.00 15.04 N ATOM 48 CA PRO A 4 5.932 0.100 -7.940 1.00 62.14 C ATOM 49 C PRO A 4 5.712 -0.932 -9.041 1.00 65.22 C ATOM 50 O PRO A 4 6.297 -2.016 -9.035 1.00 41.33 O ATOM 51 CB PRO A 4 6.859 1.215 -8.430 1.00 42.14 C ATOM 52 CG PRO A 4 8.217 0.808 -7.972 1.00 60.34 C ATOM 53 CD PRO A 4 8.015 0.082 -6.671 1.00 53.10 C ATOM 0 HA PRO A 4 4.934 0.444 -7.670 1.00 62.14 H new ATOM 0 HB2 PRO A 4 6.820 1.314 -9.515 1.00 42.14 H new ATOM 0 HB3 PRO A 4 6.573 2.180 -8.012 1.00 42.14 H new ATOM 0 HG2 PRO A 4 8.700 0.164 -8.707 1.00 60.34 H new ATOM 0 HG3 PRO A 4 8.860 1.678 -7.838 1.00 60.34 H new ATOM 0 HD2 PRO A 4 8.750 -0.711 -6.535 1.00 53.10 H new ATOM 0 HD3 PRO A 4 8.109 0.753 -5.817 1.00 53.10 H new ATOM 61 N PRO A 5 4.850 -0.591 -10.010 1.00 40.31 N ATOM 62 CA PRO A 5 4.534 -1.474 -11.136 1.00 63.24 C ATOM 63 C PRO A 5 5.707 -1.628 -12.099 1.00 52.31 C ATOM 64 O PRO A 5 6.356 -0.648 -12.462 1.00 41.44 O ATOM 65 CB PRO A 5 3.365 -0.766 -11.826 1.00 24.11 C ATOM 66 CG PRO A 5 3.525 0.670 -11.463 1.00 64.02 C ATOM 67 CD PRO A 5 4.117 0.685 -10.081 1.00 21.41 C ATOM 0 HA PRO A 5 4.302 -2.487 -10.807 1.00 63.24 H new ATOM 0 HB2 PRO A 5 3.398 -0.907 -12.906 1.00 24.11 H new ATOM 0 HB3 PRO A 5 2.407 -1.157 -11.483 1.00 24.11 H new ATOM 0 HG2 PRO A 5 4.176 1.181 -12.172 1.00 64.02 H new ATOM 0 HG3 PRO A 5 2.565 1.186 -11.482 1.00 64.02 H new ATOM 0 HD2 PRO A 5 4.780 1.538 -9.937 1.00 21.41 H new ATOM 0 HD3 PRO A 5 3.345 0.748 -9.314 1.00 21.41 H new ATOM 75 N ALA A 6 5.972 -2.864 -12.509 1.00 51.20 N ATOM 76 CA ALA A 6 7.065 -3.145 -13.432 1.00 13.32 C ATOM 77 C ALA A 6 6.620 -2.968 -14.880 1.00 31.04 C ATOM 78 O ALA A 6 5.530 -3.395 -15.262 1.00 53.41 O ATOM 79 CB ALA A 6 7.595 -4.553 -13.209 1.00 31.33 C ATOM 0 H ALA A 6 5.445 -3.687 -12.217 1.00 51.20 H new ATOM 0 HA ALA A 6 7.866 -2.432 -13.236 1.00 13.32 H new ATOM 0 HB1 ALA A 6 8.411 -4.749 -13.905 1.00 31.33 H new ATOM 0 HB2 ALA A 6 7.960 -4.647 -12.186 1.00 31.33 H new ATOM 0 HB3 ALA A 6 6.794 -5.274 -13.376 1.00 31.33 H new ATOM 85 N THR A 7 7.470 -2.335 -15.682 1.00 63.53 N ATOM 86 CA THR A 7 7.164 -2.101 -17.088 1.00 10.44 C ATOM 87 C THR A 7 7.753 -3.196 -17.969 1.00 43.43 C ATOM 88 O THR A 7 8.779 -2.997 -18.622 1.00 0.22 O ATOM 89 CB THR A 7 7.699 -0.735 -17.558 1.00 54.15 C ATOM 90 OG1 THR A 7 7.244 0.299 -16.678 1.00 44.00 O ATOM 91 CG2 THR A 7 7.242 -0.435 -18.978 1.00 64.44 C ATOM 0 H THR A 7 8.376 -1.975 -15.382 1.00 63.53 H new ATOM 0 HA THR A 7 6.078 -2.110 -17.181 1.00 10.44 H new ATOM 0 HB THR A 7 8.788 -0.772 -17.543 1.00 54.15 H new ATOM 0 HG1 THR A 7 7.590 1.164 -16.983 1.00 44.00 H new ATOM 0 HG21 THR A 7 7.632 0.534 -19.288 1.00 64.44 H new ATOM 0 HG22 THR A 7 7.614 -1.208 -19.651 1.00 64.44 H new ATOM 0 HG23 THR A 7 6.153 -0.416 -19.013 1.00 64.44 H new ATOM 99 N LEU A 8 7.099 -4.352 -17.985 1.00 42.33 N ATOM 100 CA LEU A 8 7.558 -5.480 -18.789 1.00 4.54 C ATOM 101 C LEU A 8 7.144 -5.314 -20.247 1.00 53.21 C ATOM 102 O LEU A 8 5.974 -5.480 -20.592 1.00 43.11 O ATOM 103 CB LEU A 8 6.997 -6.789 -18.233 1.00 31.25 C ATOM 104 CG LEU A 8 7.100 -6.974 -16.718 1.00 71.32 C ATOM 105 CD1 LEU A 8 5.802 -6.564 -16.041 1.00 14.13 C ATOM 106 CD2 LEU A 8 7.448 -8.417 -16.380 1.00 15.44 C ATOM 0 H LEU A 8 6.249 -4.533 -17.451 1.00 42.33 H new ATOM 0 HA LEU A 8 8.647 -5.509 -18.741 1.00 4.54 H new ATOM 0 HB2 LEU A 8 5.947 -6.861 -18.517 1.00 31.25 H new ATOM 0 HB3 LEU A 8 7.515 -7.617 -18.716 1.00 31.25 H new ATOM 0 HG LEU A 8 7.898 -6.332 -16.346 1.00 71.32 H new ATOM 0 HD11 LEU A 8 5.894 -6.702 -14.964 1.00 14.13 H new ATOM 0 HD12 LEU A 8 5.595 -5.516 -16.256 1.00 14.13 H new ATOM 0 HD13 LEU A 8 4.985 -7.180 -16.417 1.00 14.13 H new ATOM 0 HD21 LEU A 8 7.517 -8.531 -15.298 1.00 15.44 H new ATOM 0 HD22 LEU A 8 6.672 -9.078 -16.765 1.00 15.44 H new ATOM 0 HD23 LEU A 8 8.404 -8.677 -16.834 1.00 15.44 H new ATOM 118 N GLU A 9 8.111 -4.988 -21.099 1.00 1.43 N ATOM 119 CA GLU A 9 7.846 -4.801 -22.520 1.00 74.33 C ATOM 120 C GLU A 9 7.727 -6.146 -23.232 1.00 52.34 C ATOM 121 O GLU A 9 7.592 -7.189 -22.593 1.00 53.34 O ATOM 122 CB GLU A 9 8.955 -3.967 -23.164 1.00 62.10 C ATOM 123 CG GLU A 9 9.237 -2.664 -22.436 1.00 1.32 C ATOM 124 CD GLU A 9 8.647 -1.460 -23.145 1.00 4.03 C ATOM 125 OE1 GLU A 9 7.458 -1.518 -23.523 1.00 24.54 O ATOM 126 OE2 GLU A 9 9.374 -0.460 -23.322 1.00 22.20 O ATOM 0 H GLU A 9 9.085 -4.848 -20.829 1.00 1.43 H new ATOM 0 HA GLU A 9 6.899 -4.271 -22.620 1.00 74.33 H new ATOM 0 HB2 GLU A 9 9.869 -4.559 -23.199 1.00 62.10 H new ATOM 0 HB3 GLU A 9 8.679 -3.745 -24.195 1.00 62.10 H new ATOM 0 HG2 GLU A 9 8.831 -2.721 -21.426 1.00 1.32 H new ATOM 0 HG3 GLU A 9 10.315 -2.532 -22.339 1.00 1.32 H new ATOM 133 N ALA A 10 7.778 -6.112 -24.560 1.00 54.00 N ATOM 134 CA ALA A 10 7.677 -7.327 -25.359 1.00 43.34 C ATOM 135 C ALA A 10 8.713 -7.335 -26.478 1.00 44.33 C ATOM 136 O ALA A 10 8.398 -7.038 -27.631 1.00 71.20 O ATOM 137 CB ALA A 10 6.276 -7.466 -25.935 1.00 14.34 C ATOM 0 H ALA A 10 7.889 -5.257 -25.105 1.00 54.00 H new ATOM 0 HA ALA A 10 7.876 -8.178 -24.707 1.00 43.34 H new ATOM 0 HB1 ALA A 10 6.216 -8.378 -26.529 1.00 14.34 H new ATOM 0 HB2 ALA A 10 5.551 -7.514 -25.122 1.00 14.34 H new ATOM 0 HB3 ALA A 10 6.055 -6.606 -26.567 1.00 14.34 H new ATOM 143 N ILE A 11 9.950 -7.675 -26.131 1.00 10.22 N ATOM 144 CA ILE A 11 11.032 -7.721 -27.107 1.00 33.34 C ATOM 145 C ILE A 11 10.830 -8.863 -28.097 1.00 21.43 C ATOM 146 O ILE A 11 9.932 -9.690 -27.933 1.00 25.41 O ATOM 147 CB ILE A 11 12.401 -7.886 -26.422 1.00 22.44 C ATOM 148 CG1 ILE A 11 12.533 -6.907 -25.253 1.00 73.41 C ATOM 149 CG2 ILE A 11 13.525 -7.675 -27.426 1.00 35.34 C ATOM 150 CD1 ILE A 11 12.982 -5.525 -25.671 1.00 0.21 C ATOM 0 H ILE A 11 10.228 -7.923 -25.181 1.00 10.22 H new ATOM 0 HA ILE A 11 11.015 -6.772 -27.642 1.00 33.34 H new ATOM 0 HB ILE A 11 12.475 -8.901 -26.031 1.00 22.44 H new ATOM 0 HG12 ILE A 11 11.572 -6.830 -24.744 1.00 73.41 H new ATOM 0 HG13 ILE A 11 13.245 -7.309 -24.532 1.00 73.41 H new ATOM 0 HG21 ILE A 11 14.486 -7.795 -26.926 1.00 35.34 H new ATOM 0 HG22 ILE A 11 13.439 -8.408 -28.228 1.00 35.34 H new ATOM 0 HG23 ILE A 11 13.456 -6.671 -27.844 1.00 35.34 H new ATOM 0 HD11 ILE A 11 13.054 -4.884 -24.792 1.00 0.21 H new ATOM 0 HD12 ILE A 11 13.957 -5.590 -26.154 1.00 0.21 H new ATOM 0 HD13 ILE A 11 12.259 -5.103 -26.369 1.00 0.21 H new ATOM 162 N HIS A 12 11.672 -8.904 -29.124 1.00 65.13 N ATOM 163 CA HIS A 12 11.589 -9.947 -30.141 1.00 14.13 C ATOM 164 C HIS A 12 11.608 -11.332 -29.501 1.00 10.11 C ATOM 165 O HIS A 12 11.828 -11.484 -28.299 1.00 61.22 O ATOM 166 CB HIS A 12 12.744 -9.815 -31.134 1.00 12.24 C ATOM 167 CG HIS A 12 12.314 -9.365 -32.496 1.00 1.00 C ATOM 168 ND1 HIS A 12 12.913 -9.805 -33.658 1.00 1.35 N ATOM 169 CD2 HIS A 12 11.337 -8.510 -32.879 1.00 33.32 C ATOM 170 CE1 HIS A 12 12.324 -9.239 -34.696 1.00 0.23 C ATOM 171 NE2 HIS A 12 11.364 -8.449 -34.250 1.00 54.03 N ATOM 0 H HIS A 12 12.420 -8.227 -29.275 1.00 65.13 H new ATOM 0 HA HIS A 12 10.646 -9.825 -30.675 1.00 14.13 H new ATOM 0 HB2 HIS A 12 13.472 -9.107 -30.739 1.00 12.24 H new ATOM 0 HB3 HIS A 12 13.249 -10.777 -31.221 1.00 12.24 H new ATOM 0 HD2 HIS A 12 10.662 -7.975 -32.227 1.00 33.32 H new ATOM 0 HE1 HIS A 12 12.583 -9.395 -35.733 1.00 0.23 H new ATOM 0 HE2 HIS A 12 10.743 -7.885 -34.830 1.00 54.03 H new ATOM 179 N PRO A 13 11.371 -12.367 -30.321 1.00 44.40 N ATOM 180 CA PRO A 13 11.356 -13.757 -29.857 1.00 61.01 C ATOM 181 C PRO A 13 12.745 -14.254 -29.470 1.00 73.54 C ATOM 182 O PRO A 13 12.998 -15.459 -29.439 1.00 50.13 O ATOM 183 CB PRO A 13 10.830 -14.530 -31.069 1.00 53.41 C ATOM 184 CG PRO A 13 11.185 -13.682 -32.242 1.00 33.32 C ATOM 185 CD PRO A 13 11.101 -12.259 -31.765 1.00 3.24 C ATOM 0 HA PRO A 13 10.750 -13.881 -28.960 1.00 61.01 H new ATOM 0 HB2 PRO A 13 11.289 -15.516 -31.140 1.00 53.41 H new ATOM 0 HB3 PRO A 13 9.753 -14.684 -31.003 1.00 53.41 H new ATOM 0 HG2 PRO A 13 12.187 -13.914 -32.602 1.00 33.32 H new ATOM 0 HG3 PRO A 13 10.500 -13.857 -33.071 1.00 33.32 H new ATOM 0 HD2 PRO A 13 11.833 -11.624 -32.264 1.00 3.24 H new ATOM 0 HD3 PRO A 13 10.119 -11.827 -31.959 1.00 3.24 H new ATOM 193 N LYS A 14 13.642 -13.320 -29.176 1.00 10.15 N ATOM 194 CA LYS A 14 15.005 -13.662 -28.789 1.00 24.52 C ATOM 195 C LYS A 14 15.399 -12.954 -27.497 1.00 12.34 C ATOM 196 O LYS A 14 16.578 -12.708 -27.246 1.00 51.13 O ATOM 197 CB LYS A 14 15.983 -13.290 -29.905 1.00 42.34 C ATOM 198 CG LYS A 14 16.096 -11.793 -30.141 1.00 33.40 C ATOM 199 CD LYS A 14 17.066 -11.478 -31.267 1.00 55.53 C ATOM 200 CE LYS A 14 16.345 -11.336 -32.600 1.00 5.15 C ATOM 201 NZ LYS A 14 17.033 -10.371 -33.502 1.00 11.03 N ATOM 0 H LYS A 14 13.449 -12.319 -29.198 1.00 10.15 H new ATOM 0 HA LYS A 14 15.048 -14.738 -28.620 1.00 24.52 H new ATOM 0 HB2 LYS A 14 16.968 -13.686 -29.660 1.00 42.34 H new ATOM 0 HB3 LYS A 14 15.666 -13.772 -30.830 1.00 42.34 H new ATOM 0 HG2 LYS A 14 15.114 -11.386 -30.381 1.00 33.40 H new ATOM 0 HG3 LYS A 14 16.428 -11.303 -29.226 1.00 33.40 H new ATOM 0 HD2 LYS A 14 17.600 -10.555 -31.041 1.00 55.53 H new ATOM 0 HD3 LYS A 14 17.812 -12.269 -31.338 1.00 55.53 H new ATOM 0 HE2 LYS A 14 16.286 -12.310 -33.087 1.00 5.15 H new ATOM 0 HE3 LYS A 14 15.321 -11.004 -32.426 1.00 5.15 H new ATOM 0 HZ1 LYS A 14 16.512 -10.302 -34.399 1.00 11.03 H new ATOM 0 HZ2 LYS A 14 17.067 -9.436 -33.049 1.00 11.03 H new ATOM 0 HZ3 LYS A 14 18.002 -10.700 -33.689 1.00 11.03 H new ATOM 215 N GLY A 15 14.403 -12.629 -26.678 1.00 14.10 N ATOM 216 CA GLY A 15 14.666 -11.953 -25.421 1.00 52.00 C ATOM 217 C GLY A 15 13.502 -11.092 -24.971 1.00 44.32 C ATOM 218 O GLY A 15 12.466 -11.040 -25.634 1.00 54.13 O ATOM 0 H GLY A 15 13.419 -12.822 -26.863 1.00 14.10 H new ATOM 0 HA2 GLY A 15 14.884 -12.694 -24.652 1.00 52.00 H new ATOM 0 HA3 GLY A 15 15.555 -11.331 -25.526 1.00 52.00 H new ATOM 222 N LEU A 16 13.672 -10.415 -23.841 1.00 11.03 N ATOM 223 CA LEU A 16 12.626 -9.552 -23.301 1.00 64.42 C ATOM 224 C LEU A 16 13.229 -8.390 -22.520 1.00 2.54 C ATOM 225 O LEU A 16 14.403 -8.419 -22.150 1.00 62.41 O ATOM 226 CB LEU A 16 11.689 -10.357 -22.399 1.00 23.02 C ATOM 227 CG LEU A 16 10.483 -9.601 -21.840 1.00 23.33 C ATOM 228 CD1 LEU A 16 9.674 -8.978 -22.967 1.00 23.42 C ATOM 229 CD2 LEU A 16 9.612 -10.529 -21.005 1.00 64.45 C ATOM 0 H LEU A 16 14.524 -10.447 -23.281 1.00 11.03 H new ATOM 0 HA LEU A 16 12.056 -9.146 -24.137 1.00 64.42 H new ATOM 0 HB2 LEU A 16 11.325 -11.217 -22.962 1.00 23.02 H new ATOM 0 HB3 LEU A 16 12.269 -10.746 -21.562 1.00 23.02 H new ATOM 0 HG LEU A 16 10.847 -8.800 -21.196 1.00 23.33 H new ATOM 0 HD11 LEU A 16 8.820 -8.444 -22.550 1.00 23.42 H new ATOM 0 HD12 LEU A 16 10.301 -8.281 -23.523 1.00 23.42 H new ATOM 0 HD13 LEU A 16 9.320 -9.762 -23.637 1.00 23.42 H new ATOM 0 HD21 LEU A 16 8.759 -9.974 -20.615 1.00 64.45 H new ATOM 0 HD22 LEU A 16 9.257 -11.351 -21.626 1.00 64.45 H new ATOM 0 HD23 LEU A 16 10.196 -10.927 -20.175 1.00 64.45 H new ATOM 241 N ARG A 17 12.418 -7.367 -22.270 1.00 35.33 N ATOM 242 CA ARG A 17 12.871 -6.195 -21.531 1.00 14.11 C ATOM 243 C ARG A 17 11.885 -5.837 -20.422 1.00 5.00 C ATOM 244 O ARG A 17 10.673 -5.827 -20.634 1.00 33.34 O ATOM 245 CB ARG A 17 13.044 -5.005 -22.477 1.00 23.40 C ATOM 246 CG ARG A 17 13.590 -3.761 -21.796 1.00 53.54 C ATOM 247 CD ARG A 17 14.148 -2.772 -22.808 1.00 14.30 C ATOM 248 NE ARG A 17 13.659 -1.415 -22.574 1.00 61.44 N ATOM 249 CZ ARG A 17 14.080 -0.355 -23.256 1.00 35.33 C ATOM 250 NH1 ARG A 17 14.991 -0.494 -24.208 1.00 62.23 N ATOM 251 NH2 ARG A 17 13.587 0.847 -22.985 1.00 23.20 N ATOM 0 H ARG A 17 11.444 -7.326 -22.569 1.00 35.33 H new ATOM 0 HA ARG A 17 13.833 -6.432 -21.076 1.00 14.11 H new ATOM 0 HB2 ARG A 17 13.715 -5.290 -23.287 1.00 23.40 H new ATOM 0 HB3 ARG A 17 12.081 -4.768 -22.930 1.00 23.40 H new ATOM 0 HG2 ARG A 17 12.799 -3.284 -21.218 1.00 53.54 H new ATOM 0 HG3 ARG A 17 14.373 -4.044 -21.092 1.00 53.54 H new ATOM 0 HD2 ARG A 17 15.237 -2.779 -22.759 1.00 14.30 H new ATOM 0 HD3 ARG A 17 13.872 -3.088 -23.814 1.00 14.30 H new ATOM 0 HE ARG A 17 12.957 -1.274 -21.848 1.00 61.44 H new ATOM 0 HH11 ARG A 17 15.371 -1.417 -24.419 1.00 62.23 H new ATOM 0 HH12 ARG A 17 15.312 0.322 -24.730 1.00 62.23 H new ATOM 0 HH21 ARG A 17 12.885 0.957 -22.253 1.00 23.20 H new ATOM 0 HH22 ARG A 17 13.910 1.661 -23.508 1.00 23.20 H new ATOM 265 N VAL A 18 12.415 -5.544 -19.239 1.00 3.43 N ATOM 266 CA VAL A 18 11.583 -5.185 -18.096 1.00 45.44 C ATOM 267 C VAL A 18 12.250 -4.108 -17.248 1.00 4.13 C ATOM 268 O VAL A 18 13.258 -4.360 -16.587 1.00 11.52 O ATOM 269 CB VAL A 18 11.286 -6.410 -17.211 1.00 43.43 C ATOM 270 CG1 VAL A 18 10.699 -5.975 -15.877 1.00 51.13 C ATOM 271 CG2 VAL A 18 10.349 -7.370 -17.928 1.00 43.34 C ATOM 0 H VAL A 18 13.417 -5.548 -19.047 1.00 3.43 H new ATOM 0 HA VAL A 18 10.645 -4.799 -18.496 1.00 45.44 H new ATOM 0 HB VAL A 18 12.223 -6.931 -17.015 1.00 43.43 H new ATOM 0 HG11 VAL A 18 10.496 -6.854 -15.265 1.00 51.13 H new ATOM 0 HG12 VAL A 18 11.409 -5.329 -15.360 1.00 51.13 H new ATOM 0 HG13 VAL A 18 9.771 -5.430 -16.048 1.00 51.13 H new ATOM 0 HG21 VAL A 18 10.150 -8.230 -17.288 1.00 43.34 H new ATOM 0 HG22 VAL A 18 9.412 -6.862 -18.155 1.00 43.34 H new ATOM 0 HG23 VAL A 18 10.813 -7.707 -18.855 1.00 43.34 H new ATOM 281 N SER A 19 11.681 -2.907 -17.270 1.00 70.14 N ATOM 282 CA SER A 19 12.222 -1.790 -16.505 1.00 42.13 C ATOM 283 C SER A 19 11.213 -1.299 -15.472 1.00 33.51 C ATOM 284 O SER A 19 10.009 -1.517 -15.611 1.00 51.20 O ATOM 285 CB SER A 19 12.609 -0.643 -17.441 1.00 71.22 C ATOM 286 OG SER A 19 12.802 0.561 -16.720 1.00 13.13 O ATOM 0 H SER A 19 10.845 -2.683 -17.810 1.00 70.14 H new ATOM 0 HA SER A 19 13.112 -2.139 -15.981 1.00 42.13 H new ATOM 0 HB2 SER A 19 13.523 -0.900 -17.977 1.00 71.22 H new ATOM 0 HB3 SER A 19 11.829 -0.501 -18.189 1.00 71.22 H new ATOM 0 HG SER A 19 12.733 1.323 -17.332 1.00 13.13 H new ATOM 292 N VAL A 20 11.712 -0.636 -14.434 1.00 25.21 N ATOM 293 CA VAL A 20 10.856 -0.113 -13.376 1.00 72.34 C ATOM 294 C VAL A 20 11.320 1.267 -12.926 1.00 14.24 C ATOM 295 O VAL A 20 12.499 1.611 -13.009 1.00 51.11 O ATOM 296 CB VAL A 20 10.828 -1.056 -12.159 1.00 32.30 C ATOM 297 CG1 VAL A 20 10.346 -2.440 -12.566 1.00 74.23 C ATOM 298 CG2 VAL A 20 12.202 -1.131 -11.512 1.00 3.35 C ATOM 0 H VAL A 20 12.706 -0.448 -14.303 1.00 25.21 H new ATOM 0 HA VAL A 20 9.851 -0.038 -13.790 1.00 72.34 H new ATOM 0 HB VAL A 20 10.128 -0.654 -11.427 1.00 32.30 H new ATOM 0 HG11 VAL A 20 10.333 -3.092 -11.693 1.00 74.23 H new ATOM 0 HG12 VAL A 20 9.340 -2.368 -12.980 1.00 74.23 H new ATOM 0 HG13 VAL A 20 11.019 -2.853 -13.317 1.00 74.23 H new ATOM 0 HG21 VAL A 20 12.164 -1.802 -10.654 1.00 3.35 H new ATOM 0 HG22 VAL A 20 12.925 -1.508 -12.235 1.00 3.35 H new ATOM 0 HG23 VAL A 20 12.504 -0.137 -11.182 1.00 3.35 H new ATOM 308 N PRO A 21 10.371 2.079 -12.435 1.00 43.23 N ATOM 309 CA PRO A 21 10.659 3.436 -11.960 1.00 72.20 C ATOM 310 C PRO A 21 11.467 3.438 -10.667 1.00 62.11 C ATOM 311 O PRO A 21 11.039 2.883 -9.655 1.00 14.30 O ATOM 312 CB PRO A 21 9.269 4.031 -11.722 1.00 75.54 C ATOM 313 CG PRO A 21 8.392 2.854 -11.468 1.00 35.54 C ATOM 314 CD PRO A 21 8.945 1.735 -12.306 1.00 43.14 C ATOM 0 HA PRO A 21 11.262 3.998 -12.673 1.00 72.20 H new ATOM 0 HB2 PRO A 21 9.271 4.714 -10.873 1.00 75.54 H new ATOM 0 HB3 PRO A 21 8.928 4.599 -12.587 1.00 75.54 H new ATOM 0 HG2 PRO A 21 8.394 2.587 -10.411 1.00 35.54 H new ATOM 0 HG3 PRO A 21 7.359 3.071 -11.740 1.00 35.54 H new ATOM 0 HD2 PRO A 21 8.807 0.767 -11.825 1.00 43.14 H new ATOM 0 HD3 PRO A 21 8.455 1.681 -13.278 1.00 43.14 H new ATOM 322 N ASP A 22 12.638 4.065 -10.708 1.00 34.03 N ATOM 323 CA ASP A 22 13.506 4.141 -9.538 1.00 74.53 C ATOM 324 C ASP A 22 13.079 5.280 -8.618 1.00 30.44 C ATOM 325 O ASP A 22 13.494 6.424 -8.798 1.00 72.10 O ATOM 326 CB ASP A 22 14.961 4.333 -9.968 1.00 54.32 C ATOM 327 CG ASP A 22 15.906 4.422 -8.787 1.00 5.42 C ATOM 328 OD1 ASP A 22 15.637 3.764 -7.761 1.00 23.51 O ATOM 329 OD2 ASP A 22 16.915 5.152 -8.888 1.00 25.33 O ATOM 0 H ASP A 22 13.008 4.528 -11.538 1.00 34.03 H new ATOM 0 HA ASP A 22 13.419 3.203 -8.989 1.00 74.53 H new ATOM 0 HB2 ASP A 22 15.260 3.503 -10.608 1.00 54.32 H new ATOM 0 HB3 ASP A 22 15.044 5.241 -10.565 1.00 54.32 H new ATOM 334 N GLU A 23 12.247 4.957 -7.632 1.00 3.32 N ATOM 335 CA GLU A 23 11.764 5.955 -6.685 1.00 35.13 C ATOM 336 C GLU A 23 12.725 6.100 -5.508 1.00 72.44 C ATOM 337 O GLU A 23 12.314 6.410 -4.391 1.00 73.31 O ATOM 338 CB GLU A 23 10.371 5.575 -6.176 1.00 25.50 C ATOM 339 CG GLU A 23 9.289 6.569 -6.563 1.00 64.51 C ATOM 340 CD GLU A 23 8.758 7.345 -5.374 1.00 32.21 C ATOM 341 OE1 GLU A 23 7.836 6.840 -4.699 1.00 43.21 O ATOM 342 OE2 GLU A 23 9.264 8.457 -5.118 1.00 43.52 O ATOM 0 H GLU A 23 11.894 4.014 -7.469 1.00 3.32 H new ATOM 0 HA GLU A 23 11.706 6.912 -7.204 1.00 35.13 H new ATOM 0 HB2 GLU A 23 10.106 4.592 -6.567 1.00 25.50 H new ATOM 0 HB3 GLU A 23 10.401 5.489 -5.090 1.00 25.50 H new ATOM 0 HG2 GLU A 23 9.688 7.267 -7.299 1.00 64.51 H new ATOM 0 HG3 GLU A 23 8.467 6.037 -7.042 1.00 64.51 H new ATOM 349 N GLY A 24 14.009 5.872 -5.769 1.00 73.32 N ATOM 350 CA GLY A 24 15.009 5.981 -4.723 1.00 72.43 C ATOM 351 C GLY A 24 15.498 4.628 -4.246 1.00 65.33 C ATOM 352 O GLY A 24 15.991 4.497 -3.125 1.00 51.44 O ATOM 0 H GLY A 24 14.374 5.614 -6.686 1.00 73.32 H new ATOM 0 HA2 GLY A 24 15.855 6.560 -5.092 1.00 72.43 H new ATOM 0 HA3 GLY A 24 14.590 6.531 -3.880 1.00 72.43 H new ATOM 356 N PHE A 25 15.362 3.617 -5.098 1.00 61.21 N ATOM 357 CA PHE A 25 15.792 2.266 -4.756 1.00 61.15 C ATOM 358 C PHE A 25 17.315 2.166 -4.747 1.00 73.21 C ATOM 359 O PHE A 25 18.009 3.054 -5.242 1.00 31.14 O ATOM 360 CB PHE A 25 15.209 1.256 -5.748 1.00 4.53 C ATOM 361 CG PHE A 25 13.733 1.037 -5.582 1.00 12.22 C ATOM 362 CD1 PHE A 25 13.242 0.321 -4.502 1.00 5.03 C ATOM 363 CD2 PHE A 25 12.835 1.548 -6.506 1.00 21.35 C ATOM 364 CE1 PHE A 25 11.884 0.117 -4.347 1.00 43.33 C ATOM 365 CE2 PHE A 25 11.476 1.347 -6.356 1.00 53.50 C ATOM 366 CZ PHE A 25 11.000 0.632 -5.275 1.00 13.12 C ATOM 0 H PHE A 25 14.958 3.708 -6.030 1.00 61.21 H new ATOM 0 HA PHE A 25 15.424 2.037 -3.756 1.00 61.15 H new ATOM 0 HB2 PHE A 25 15.405 1.601 -6.763 1.00 4.53 H new ATOM 0 HB3 PHE A 25 15.725 0.303 -5.630 1.00 4.53 H new ATOM 0 HD1 PHE A 25 13.929 -0.082 -3.773 1.00 5.03 H new ATOM 0 HD2 PHE A 25 13.201 2.110 -7.353 1.00 21.35 H new ATOM 0 HE1 PHE A 25 11.514 -0.444 -3.502 1.00 43.33 H new ATOM 0 HE2 PHE A 25 10.787 1.749 -7.084 1.00 53.50 H new ATOM 0 HZ PHE A 25 9.938 0.476 -5.155 1.00 13.12 H new ATOM 376 N SER A 26 17.827 1.078 -4.180 1.00 53.12 N ATOM 377 CA SER A 26 19.267 0.863 -4.102 1.00 32.23 C ATOM 378 C SER A 26 19.637 -0.527 -4.611 1.00 50.23 C ATOM 379 O SER A 26 20.816 -0.860 -4.740 1.00 72.20 O ATOM 380 CB SER A 26 19.752 1.036 -2.661 1.00 40.12 C ATOM 381 OG SER A 26 21.161 0.907 -2.578 1.00 72.35 O ATOM 0 H SER A 26 17.266 0.332 -3.768 1.00 53.12 H new ATOM 0 HA SER A 26 19.755 1.605 -4.734 1.00 32.23 H new ATOM 0 HB2 SER A 26 19.451 2.015 -2.288 1.00 40.12 H new ATOM 0 HB3 SER A 26 19.277 0.291 -2.022 1.00 40.12 H new ATOM 0 HG SER A 26 21.484 0.360 -3.324 1.00 72.35 H new ATOM 387 N LEU A 27 18.622 -1.334 -4.900 1.00 10.30 N ATOM 388 CA LEU A 27 18.839 -2.688 -5.396 1.00 34.40 C ATOM 389 C LEU A 27 17.570 -3.244 -6.034 1.00 53.04 C ATOM 390 O LEU A 27 16.465 -3.025 -5.537 1.00 31.41 O ATOM 391 CB LEU A 27 19.293 -3.603 -4.257 1.00 72.01 C ATOM 392 CG LEU A 27 18.926 -5.081 -4.396 1.00 64.04 C ATOM 393 CD1 LEU A 27 17.431 -5.280 -4.208 1.00 35.13 C ATOM 394 CD2 LEU A 27 19.371 -5.615 -5.750 1.00 72.42 C ATOM 0 H LEU A 27 17.641 -1.074 -4.799 1.00 10.30 H new ATOM 0 HA LEU A 27 19.619 -2.649 -6.156 1.00 34.40 H new ATOM 0 HB2 LEU A 27 20.376 -3.525 -4.165 1.00 72.01 H new ATOM 0 HB3 LEU A 27 18.867 -3.230 -3.326 1.00 72.01 H new ATOM 0 HG LEU A 27 19.446 -5.640 -3.618 1.00 64.04 H new ATOM 0 HD11 LEU A 27 17.189 -6.338 -4.310 1.00 35.13 H new ATOM 0 HD12 LEU A 27 17.140 -4.936 -3.216 1.00 35.13 H new ATOM 0 HD13 LEU A 27 16.890 -4.709 -4.963 1.00 35.13 H new ATOM 0 HD21 LEU A 27 19.102 -6.668 -5.832 1.00 72.42 H new ATOM 0 HD22 LEU A 27 18.879 -5.052 -6.543 1.00 72.42 H new ATOM 0 HD23 LEU A 27 20.451 -5.508 -5.846 1.00 72.42 H new ATOM 406 N PHE A 28 17.736 -3.965 -7.138 1.00 73.30 N ATOM 407 CA PHE A 28 16.604 -4.554 -7.844 1.00 53.12 C ATOM 408 C PHE A 28 16.903 -5.996 -8.245 1.00 15.34 C ATOM 409 O PHE A 28 18.053 -6.358 -8.487 1.00 43.02 O ATOM 410 CB PHE A 28 16.265 -3.728 -9.087 1.00 12.55 C ATOM 411 CG PHE A 28 14.992 -4.153 -9.761 1.00 21.41 C ATOM 412 CD1 PHE A 28 13.849 -4.402 -9.019 1.00 13.41 C ATOM 413 CD2 PHE A 28 14.939 -4.306 -11.137 1.00 64.21 C ATOM 414 CE1 PHE A 28 12.676 -4.793 -9.636 1.00 72.34 C ATOM 415 CE2 PHE A 28 13.769 -4.697 -11.760 1.00 64.21 C ATOM 416 CZ PHE A 28 12.637 -4.942 -11.009 1.00 35.32 C ATOM 0 H PHE A 28 18.643 -4.155 -7.563 1.00 73.30 H new ATOM 0 HA PHE A 28 15.747 -4.553 -7.170 1.00 53.12 H new ATOM 0 HB2 PHE A 28 16.184 -2.678 -8.805 1.00 12.55 H new ATOM 0 HB3 PHE A 28 17.087 -3.804 -9.799 1.00 12.55 H new ATOM 0 HD1 PHE A 28 13.875 -4.289 -7.945 1.00 13.41 H new ATOM 0 HD2 PHE A 28 15.822 -4.118 -11.729 1.00 64.21 H new ATOM 0 HE1 PHE A 28 11.791 -4.982 -9.046 1.00 72.34 H new ATOM 0 HE2 PHE A 28 13.740 -4.811 -12.834 1.00 64.21 H new ATOM 0 HZ PHE A 28 11.722 -5.250 -11.494 1.00 35.32 H new ATOM 426 N ALA A 29 15.857 -6.814 -8.311 1.00 3.22 N ATOM 427 CA ALA A 29 16.006 -8.215 -8.683 1.00 24.32 C ATOM 428 C ALA A 29 14.837 -8.683 -9.542 1.00 51.45 C ATOM 429 O ALA A 29 13.731 -8.149 -9.447 1.00 63.13 O ATOM 430 CB ALA A 29 16.128 -9.082 -7.438 1.00 2.40 C ATOM 0 H ALA A 29 14.898 -6.530 -8.112 1.00 3.22 H new ATOM 0 HA ALA A 29 16.918 -8.313 -9.272 1.00 24.32 H new ATOM 0 HB1 ALA A 29 16.239 -10.126 -7.731 1.00 2.40 H new ATOM 0 HB2 ALA A 29 17.001 -8.772 -6.863 1.00 2.40 H new ATOM 0 HB3 ALA A 29 15.232 -8.970 -6.827 1.00 2.40 H new ATOM 436 N PHE A 30 15.088 -9.681 -10.382 1.00 72.52 N ATOM 437 CA PHE A 30 14.055 -10.220 -11.260 1.00 45.55 C ATOM 438 C PHE A 30 14.036 -11.744 -11.207 1.00 65.40 C ATOM 439 O PHE A 30 15.079 -12.393 -11.301 1.00 71.24 O ATOM 440 CB PHE A 30 14.285 -9.751 -12.699 1.00 30.20 C ATOM 441 CG PHE A 30 13.110 -9.994 -13.603 1.00 64.00 C ATOM 442 CD1 PHE A 30 12.624 -11.276 -13.800 1.00 64.51 C ATOM 443 CD2 PHE A 30 12.493 -8.940 -14.256 1.00 54.33 C ATOM 444 CE1 PHE A 30 11.543 -11.503 -14.631 1.00 64.41 C ATOM 445 CE2 PHE A 30 11.411 -9.160 -15.088 1.00 61.50 C ATOM 446 CZ PHE A 30 10.937 -10.444 -15.277 1.00 13.13 C ATOM 0 H PHE A 30 15.998 -10.133 -10.474 1.00 72.52 H new ATOM 0 HA PHE A 30 13.090 -9.851 -10.914 1.00 45.55 H new ATOM 0 HB2 PHE A 30 14.515 -8.686 -12.693 1.00 30.20 H new ATOM 0 HB3 PHE A 30 15.158 -10.263 -13.105 1.00 30.20 H new ATOM 0 HD1 PHE A 30 13.095 -12.108 -13.298 1.00 64.51 H new ATOM 0 HD2 PHE A 30 12.861 -7.935 -14.114 1.00 54.33 H new ATOM 0 HE1 PHE A 30 11.173 -12.507 -14.775 1.00 64.41 H new ATOM 0 HE2 PHE A 30 10.937 -8.329 -15.590 1.00 61.50 H new ATOM 0 HZ PHE A 30 10.094 -10.619 -15.929 1.00 13.13 H new ATOM 456 N HIS A 31 12.843 -12.310 -11.054 1.00 64.43 N ATOM 457 CA HIS A 31 12.687 -13.759 -10.988 1.00 64.11 C ATOM 458 C HIS A 31 11.265 -14.170 -11.357 1.00 10.33 C ATOM 459 O HIS A 31 10.396 -14.279 -10.493 1.00 0.43 O ATOM 460 CB HIS A 31 13.030 -14.267 -9.587 1.00 43.42 C ATOM 461 CG HIS A 31 14.492 -14.523 -9.384 1.00 72.53 C ATOM 462 ND1 HIS A 31 15.508 -13.676 -9.099 1.00 3.55 N flip ATOM 463 CD2 HIS A 31 15.054 -15.780 -9.471 1.00 64.43 C flip ATOM 464 CE1 HIS A 31 16.654 -14.428 -9.018 1.00 22.24 C flip ATOM 465 NE2 HIS A 31 16.353 -15.694 -9.246 1.00 65.52 N flip ATOM 0 H HIS A 31 11.971 -11.788 -10.973 1.00 64.43 H new ATOM 0 HA HIS A 31 13.374 -14.206 -11.707 1.00 64.11 H new ATOM 0 HB2 HIS A 31 12.692 -13.537 -8.852 1.00 43.42 H new ATOM 0 HB3 HIS A 31 12.479 -15.188 -9.398 1.00 43.42 H new ATOM 0 HD2 HIS A 31 14.517 -16.691 -9.689 1.00 64.43 H new ATOM 0 HE1 HIS A 31 17.641 -14.046 -8.803 1.00 22.24 H new ATOM 0 HE2 HIS A 31 17.012 -16.473 -9.248 1.00 65.52 H new ATOM 473 N GLY A 32 11.035 -14.396 -12.647 1.00 14.23 N ATOM 474 CA GLY A 32 9.716 -14.791 -13.107 1.00 2.33 C ATOM 475 C GLY A 32 9.774 -15.741 -14.286 1.00 62.21 C ATOM 476 O GLY A 32 10.854 -16.167 -14.698 1.00 34.45 O ATOM 0 H GLY A 32 11.738 -14.313 -13.381 1.00 14.23 H new ATOM 0 HA2 GLY A 32 9.176 -15.266 -12.288 1.00 2.33 H new ATOM 0 HA3 GLY A 32 9.151 -13.902 -13.388 1.00 2.33 H new ATOM 480 N LYS A 33 8.610 -16.077 -14.831 1.00 50.45 N ATOM 481 CA LYS A 33 8.531 -16.983 -15.971 1.00 21.44 C ATOM 482 C LYS A 33 7.557 -16.456 -17.019 1.00 43.15 C ATOM 483 O LYS A 33 7.180 -15.284 -16.997 1.00 13.40 O ATOM 484 CB LYS A 33 8.096 -18.377 -15.510 1.00 41.44 C ATOM 485 CG LYS A 33 8.714 -18.801 -14.189 1.00 72.24 C ATOM 486 CD LYS A 33 7.665 -19.340 -13.231 1.00 0.11 C ATOM 487 CE LYS A 33 7.139 -20.693 -13.684 1.00 22.55 C ATOM 488 NZ LYS A 33 7.649 -21.801 -12.828 1.00 53.30 N ATOM 0 H LYS A 33 7.707 -15.735 -14.501 1.00 50.45 H new ATOM 0 HA LYS A 33 9.521 -17.048 -16.422 1.00 21.44 H new ATOM 0 HB2 LYS A 33 7.010 -18.397 -15.417 1.00 41.44 H new ATOM 0 HB3 LYS A 33 8.364 -19.104 -16.277 1.00 41.44 H new ATOM 0 HG2 LYS A 33 9.471 -19.565 -14.369 1.00 72.24 H new ATOM 0 HG3 LYS A 33 9.221 -17.950 -13.734 1.00 72.24 H new ATOM 0 HD2 LYS A 33 8.094 -19.431 -12.233 1.00 0.11 H new ATOM 0 HD3 LYS A 33 6.839 -18.633 -13.159 1.00 0.11 H new ATOM 0 HE2 LYS A 33 6.049 -20.686 -13.658 1.00 22.55 H new ATOM 0 HE3 LYS A 33 7.432 -20.869 -14.719 1.00 22.55 H new ATOM 0 HZ1 LYS A 33 7.268 -22.707 -13.169 1.00 53.30 H new ATOM 0 HZ2 LYS A 33 8.688 -21.824 -12.872 1.00 53.30 H new ATOM 0 HZ3 LYS A 33 7.348 -21.647 -11.845 1.00 53.30 H new ATOM 502 N LEU A 34 7.153 -17.328 -17.936 1.00 42.04 N ATOM 503 CA LEU A 34 6.221 -16.950 -18.993 1.00 63.24 C ATOM 504 C LEU A 34 5.071 -17.948 -19.087 1.00 41.53 C ATOM 505 O LEU A 34 5.275 -19.157 -18.987 1.00 2.52 O ATOM 506 CB LEU A 34 6.949 -16.866 -20.336 1.00 64.11 C ATOM 507 CG LEU A 34 6.573 -15.684 -21.231 1.00 24.34 C ATOM 508 CD1 LEU A 34 5.203 -15.902 -21.854 1.00 45.53 C ATOM 509 CD2 LEU A 34 6.601 -14.386 -20.438 1.00 14.41 C ATOM 0 H LEU A 34 7.456 -18.301 -17.969 1.00 42.04 H new ATOM 0 HA LEU A 34 5.809 -15.971 -18.748 1.00 63.24 H new ATOM 0 HB2 LEU A 34 8.021 -16.823 -20.143 1.00 64.11 H new ATOM 0 HB3 LEU A 34 6.761 -17.787 -20.887 1.00 64.11 H new ATOM 0 HG LEU A 34 7.307 -15.611 -22.034 1.00 24.34 H new ATOM 0 HD11 LEU A 34 4.952 -15.051 -22.487 1.00 45.53 H new ATOM 0 HD12 LEU A 34 5.217 -16.811 -22.456 1.00 45.53 H new ATOM 0 HD13 LEU A 34 4.456 -16.000 -21.066 1.00 45.53 H new ATOM 0 HD21 LEU A 34 6.331 -13.555 -21.090 1.00 14.41 H new ATOM 0 HD22 LEU A 34 5.889 -14.447 -19.615 1.00 14.41 H new ATOM 0 HD23 LEU A 34 7.603 -14.224 -20.040 1.00 14.41 H new ATOM 521 N ASN A 35 3.862 -17.432 -19.283 1.00 11.33 N ATOM 522 CA ASN A 35 2.679 -18.277 -19.392 1.00 73.31 C ATOM 523 C ASN A 35 2.656 -19.327 -18.285 1.00 62.34 C ATOM 524 O ASN A 35 2.072 -20.398 -18.445 1.00 62.51 O ATOM 525 CB ASN A 35 2.640 -18.961 -20.760 1.00 72.22 C ATOM 526 CG ASN A 35 2.337 -17.989 -21.884 1.00 70.21 C ATOM 527 OD1 ASN A 35 3.356 -17.655 -22.668 1.00 25.25 O flip ATOM 528 ND2 ASN A 35 1.200 -17.544 -22.046 1.00 34.21 N flip ATOM 0 H ASN A 35 3.676 -16.433 -19.370 1.00 11.33 H new ATOM 0 HA ASN A 35 1.799 -17.643 -19.285 1.00 73.31 H new ATOM 0 HB2 ASN A 35 3.599 -19.444 -20.949 1.00 72.22 H new ATOM 0 HB3 ASN A 35 1.884 -19.747 -20.749 1.00 72.22 H new ATOM 0 HD21 ASN A 35 0.447 -17.828 -21.419 1.00 34.21 H new ATOM 0 HD22 ASN A 35 1.011 -16.891 -22.807 1.00 34.21 H new ATOM 535 N GLU A 36 3.296 -19.011 -17.164 1.00 11.12 N ATOM 536 CA GLU A 36 3.349 -19.927 -16.031 1.00 21.40 C ATOM 537 C GLU A 36 3.543 -19.165 -14.723 1.00 61.42 C ATOM 538 O GLU A 36 4.244 -18.155 -14.680 1.00 63.23 O ATOM 539 CB GLU A 36 4.482 -20.939 -16.218 1.00 10.15 C ATOM 540 CG GLU A 36 4.466 -22.066 -15.198 1.00 51.34 C ATOM 541 CD GLU A 36 3.719 -23.289 -15.693 1.00 63.22 C ATOM 542 OE1 GLU A 36 2.485 -23.201 -15.865 1.00 23.44 O ATOM 543 OE2 GLU A 36 4.368 -24.334 -15.909 1.00 22.02 O ATOM 0 H GLU A 36 3.785 -18.128 -17.016 1.00 11.12 H new ATOM 0 HA GLU A 36 2.399 -20.460 -15.983 1.00 21.40 H new ATOM 0 HB2 GLU A 36 4.416 -21.365 -17.219 1.00 10.15 H new ATOM 0 HB3 GLU A 36 5.437 -20.418 -16.156 1.00 10.15 H new ATOM 0 HG2 GLU A 36 5.491 -22.345 -14.954 1.00 51.34 H new ATOM 0 HG3 GLU A 36 4.004 -21.711 -14.277 1.00 51.34 H new ATOM 550 N GLU A 37 2.916 -19.658 -13.659 1.00 52.35 N ATOM 551 CA GLU A 37 3.018 -19.022 -12.351 1.00 63.31 C ATOM 552 C GLU A 37 3.767 -19.918 -11.368 1.00 73.23 C ATOM 553 O GLU A 37 3.764 -21.142 -11.502 1.00 1.42 O ATOM 554 CB GLU A 37 1.626 -18.700 -11.805 1.00 53.24 C ATOM 555 CG GLU A 37 0.792 -19.932 -11.499 1.00 33.42 C ATOM 556 CD GLU A 37 0.152 -19.877 -10.125 1.00 52.12 C ATOM 557 OE1 GLU A 37 0.895 -19.926 -9.123 1.00 22.12 O ATOM 558 OE2 GLU A 37 -1.091 -19.785 -10.052 1.00 53.34 O ATOM 0 H GLU A 37 2.333 -20.495 -13.677 1.00 52.35 H new ATOM 0 HA GLU A 37 3.577 -18.094 -12.470 1.00 63.31 H new ATOM 0 HB2 GLU A 37 1.730 -18.107 -10.896 1.00 53.24 H new ATOM 0 HB3 GLU A 37 1.095 -18.083 -12.529 1.00 53.24 H new ATOM 0 HG2 GLU A 37 0.013 -20.036 -12.255 1.00 33.42 H new ATOM 0 HG3 GLU A 37 1.422 -20.819 -11.567 1.00 33.42 H new ATOM 565 N MET A 38 4.407 -19.299 -10.382 1.00 31.12 N ATOM 566 CA MET A 38 5.159 -20.040 -9.376 1.00 22.20 C ATOM 567 C MET A 38 4.389 -20.107 -8.061 1.00 20.10 C ATOM 568 O MET A 38 3.296 -19.555 -7.944 1.00 12.35 O ATOM 569 CB MET A 38 6.525 -19.390 -9.148 1.00 40.30 C ATOM 570 CG MET A 38 6.446 -17.905 -8.832 1.00 51.12 C ATOM 571 SD MET A 38 6.686 -16.871 -10.290 1.00 32.01 S ATOM 572 CE MET A 38 8.473 -16.855 -10.403 1.00 63.01 C ATOM 0 H MET A 38 4.420 -18.287 -10.258 1.00 31.12 H new ATOM 0 HA MET A 38 5.305 -21.056 -9.743 1.00 22.20 H new ATOM 0 HB2 MET A 38 7.029 -19.901 -8.328 1.00 40.30 H new ATOM 0 HB3 MET A 38 7.139 -19.532 -10.038 1.00 40.30 H new ATOM 0 HG2 MET A 38 5.475 -17.683 -8.390 1.00 51.12 H new ATOM 0 HG3 MET A 38 7.201 -17.656 -8.086 1.00 51.12 H new ATOM 0 HE1 MET A 38 8.773 -16.966 -11.445 1.00 63.01 H new ATOM 0 HE2 MET A 38 8.854 -15.910 -10.015 1.00 63.01 H new ATOM 0 HE3 MET A 38 8.882 -17.679 -9.818 1.00 63.01 H new ATOM 648 N GLY A 44 11.528 -18.599 -10.477 1.00 15.53 N ATOM 649 CA GLY A 44 10.915 -19.159 -11.667 1.00 50.20 C ATOM 650 C GLY A 44 11.940 -19.637 -12.676 1.00 51.02 C ATOM 651 O GLY A 44 12.731 -20.536 -12.390 1.00 4.10 O ATOM 0 HA2 GLY A 44 10.273 -19.993 -11.383 1.00 50.20 H new ATOM 0 HA3 GLY A 44 10.276 -18.408 -12.131 1.00 50.20 H new ATOM 655 N HIS A 45 11.926 -19.036 -13.862 1.00 74.30 N ATOM 656 CA HIS A 45 12.861 -19.407 -14.918 1.00 73.22 C ATOM 657 C HIS A 45 14.016 -18.414 -14.994 1.00 41.34 C ATOM 658 O HIS A 45 15.184 -18.799 -14.933 1.00 74.20 O ATOM 659 CB HIS A 45 12.141 -19.474 -16.265 1.00 73.34 C ATOM 660 CG HIS A 45 12.422 -20.729 -17.033 1.00 31.31 C ATOM 661 ND1 HIS A 45 11.751 -21.914 -16.811 1.00 4.54 N ATOM 662 CD2 HIS A 45 13.306 -20.980 -18.027 1.00 21.04 C ATOM 663 CE1 HIS A 45 12.212 -22.839 -17.633 1.00 43.11 C ATOM 664 NE2 HIS A 45 13.156 -22.298 -18.382 1.00 43.10 N ATOM 0 H HIS A 45 11.278 -18.290 -14.115 1.00 74.30 H new ATOM 0 HA HIS A 45 13.266 -20.391 -14.682 1.00 73.22 H new ATOM 0 HB2 HIS A 45 11.067 -19.393 -16.098 1.00 73.34 H new ATOM 0 HB3 HIS A 45 12.435 -18.615 -16.868 1.00 73.34 H new ATOM 0 HD2 HIS A 45 14.000 -20.275 -18.460 1.00 21.04 H new ATOM 0 HE1 HIS A 45 11.875 -23.864 -17.684 1.00 43.11 H new ATOM 0 HE2 HIS A 45 13.687 -22.781 -19.107 1.00 43.10 H new ATOM 672 N TRP A 46 13.682 -17.135 -15.129 1.00 65.41 N ATOM 673 CA TRP A 46 14.693 -16.087 -15.215 1.00 12.15 C ATOM 674 C TRP A 46 15.372 -15.874 -13.866 1.00 71.11 C ATOM 675 O TRP A 46 14.942 -16.422 -12.851 1.00 65.41 O ATOM 676 CB TRP A 46 14.061 -14.779 -15.693 1.00 53.12 C ATOM 677 CG TRP A 46 13.566 -14.841 -17.106 1.00 54.25 C ATOM 678 CD1 TRP A 46 14.303 -15.118 -18.222 1.00 2.01 C ATOM 679 CD2 TRP A 46 12.224 -14.619 -17.555 1.00 42.30 C ATOM 680 NE1 TRP A 46 13.501 -15.082 -19.337 1.00 0.40 N ATOM 681 CE2 TRP A 46 12.221 -14.778 -18.955 1.00 21.44 C ATOM 682 CE3 TRP A 46 11.025 -14.303 -16.911 1.00 1.23 C ATOM 683 CZ2 TRP A 46 11.066 -14.631 -19.718 1.00 31.03 C ATOM 684 CZ3 TRP A 46 9.880 -14.157 -17.670 1.00 14.45 C ATOM 685 CH2 TRP A 46 9.906 -14.321 -19.061 1.00 21.42 C ATOM 0 H TRP A 46 12.720 -16.799 -15.181 1.00 65.41 H new ATOM 0 HA TRP A 46 15.448 -16.403 -15.935 1.00 12.15 H new ATOM 0 HB2 TRP A 46 13.230 -14.523 -15.035 1.00 53.12 H new ATOM 0 HB3 TRP A 46 14.794 -13.977 -15.607 1.00 53.12 H new ATOM 0 HD1 TRP A 46 15.361 -15.334 -18.227 1.00 2.01 H new ATOM 0 HE1 TRP A 46 13.809 -15.254 -20.294 1.00 0.40 H new ATOM 0 HE3 TRP A 46 10.994 -14.175 -15.839 1.00 1.23 H new ATOM 0 HZ2 TRP A 46 11.085 -14.757 -20.790 1.00 31.03 H new ATOM 0 HZ3 TRP A 46 8.948 -13.912 -17.182 1.00 14.45 H new ATOM 0 HH2 TRP A 46 8.993 -14.201 -19.626 1.00 21.42 H new ATOM 696 N SER A 47 16.434 -15.075 -13.863 1.00 11.33 N ATOM 697 CA SER A 47 17.174 -14.793 -12.639 1.00 4.34 C ATOM 698 C SER A 47 18.238 -13.726 -12.881 1.00 21.14 C ATOM 699 O SER A 47 19.179 -13.935 -13.646 1.00 63.11 O ATOM 700 CB SER A 47 17.828 -16.070 -12.107 1.00 41.22 C ATOM 701 OG SER A 47 18.767 -16.586 -13.035 1.00 30.03 O ATOM 0 H SER A 47 16.801 -14.612 -14.694 1.00 11.33 H new ATOM 0 HA SER A 47 16.470 -14.418 -11.897 1.00 4.34 H new ATOM 0 HB2 SER A 47 18.325 -15.860 -11.160 1.00 41.22 H new ATOM 0 HB3 SER A 47 17.062 -16.818 -11.906 1.00 41.22 H new ATOM 0 HG SER A 47 19.210 -15.845 -13.499 1.00 30.03 H new ATOM 707 N ARG A 48 18.081 -12.582 -12.222 1.00 74.34 N ATOM 708 CA ARG A 48 19.026 -11.482 -12.366 1.00 52.32 C ATOM 709 C ARG A 48 18.863 -10.473 -11.233 1.00 35.33 C ATOM 710 O ARG A 48 17.811 -10.405 -10.596 1.00 22.12 O ATOM 711 CB ARG A 48 18.830 -10.786 -13.714 1.00 52.14 C ATOM 712 CG ARG A 48 20.133 -10.397 -14.394 1.00 55.01 C ATOM 713 CD ARG A 48 20.547 -8.979 -14.034 1.00 52.22 C ATOM 714 NE ARG A 48 21.949 -8.903 -13.633 1.00 62.24 N ATOM 715 CZ ARG A 48 22.954 -8.781 -14.494 1.00 32.12 C ATOM 716 NH1 ARG A 48 22.712 -8.721 -15.796 1.00 42.40 N ATOM 717 NH2 ARG A 48 24.203 -8.719 -14.052 1.00 5.31 N ATOM 0 H ARG A 48 17.308 -12.393 -11.583 1.00 74.34 H new ATOM 0 HA ARG A 48 20.034 -11.894 -12.320 1.00 52.32 H new ATOM 0 HB2 ARG A 48 18.268 -11.445 -14.375 1.00 52.14 H new ATOM 0 HB3 ARG A 48 18.226 -9.891 -13.567 1.00 52.14 H new ATOM 0 HG2 ARG A 48 20.919 -11.092 -14.101 1.00 55.01 H new ATOM 0 HG3 ARG A 48 20.020 -10.481 -15.475 1.00 55.01 H new ATOM 0 HD2 ARG A 48 20.379 -8.324 -14.889 1.00 52.22 H new ATOM 0 HD3 ARG A 48 19.918 -8.613 -13.223 1.00 52.22 H new ATOM 0 HE ARG A 48 22.169 -8.946 -12.638 1.00 62.24 H new ATOM 0 HH11 ARG A 48 21.753 -8.768 -16.139 1.00 42.40 H new ATOM 0 HH12 ARG A 48 23.485 -8.627 -16.455 1.00 42.40 H new ATOM 0 HH21 ARG A 48 24.393 -8.765 -13.051 1.00 5.31 H new ATOM 0 HH22 ARG A 48 24.974 -8.625 -14.713 1.00 5.31 H new ATOM 731 N ASP A 49 19.909 -9.693 -10.987 1.00 22.12 N ATOM 732 CA ASP A 49 19.882 -8.688 -9.931 1.00 1.23 C ATOM 733 C ASP A 49 20.627 -7.428 -10.361 1.00 14.33 C ATOM 734 O ASP A 49 21.806 -7.481 -10.711 1.00 72.14 O ATOM 735 CB ASP A 49 20.500 -9.248 -8.648 1.00 52.44 C ATOM 736 CG ASP A 49 21.921 -8.766 -8.432 1.00 61.33 C ATOM 737 OD1 ASP A 49 22.830 -9.272 -9.123 1.00 72.22 O ATOM 738 OD2 ASP A 49 22.125 -7.884 -7.572 1.00 32.22 O ATOM 0 H ASP A 49 20.787 -9.737 -11.505 1.00 22.12 H new ATOM 0 HA ASP A 49 18.841 -8.426 -9.739 1.00 1.23 H new ATOM 0 HB2 ASP A 49 19.887 -8.956 -7.795 1.00 52.44 H new ATOM 0 HB3 ASP A 49 20.491 -10.337 -8.689 1.00 52.44 H new ATOM 743 N ILE A 50 19.930 -6.296 -10.332 1.00 63.41 N ATOM 744 CA ILE A 50 20.526 -5.023 -10.719 1.00 32.51 C ATOM 745 C ILE A 50 20.857 -4.177 -9.495 1.00 23.15 C ATOM 746 O ILE A 50 19.971 -3.803 -8.726 1.00 2.53 O ATOM 747 CB ILE A 50 19.591 -4.223 -11.645 1.00 11.24 C ATOM 748 CG1 ILE A 50 19.076 -5.112 -12.778 1.00 62.04 C ATOM 749 CG2 ILE A 50 20.314 -3.007 -12.204 1.00 41.04 C ATOM 750 CD1 ILE A 50 20.155 -5.537 -13.750 1.00 33.30 C ATOM 0 H ILE A 50 18.953 -6.235 -10.045 1.00 63.41 H new ATOM 0 HA ILE A 50 21.445 -5.255 -11.257 1.00 32.51 H new ATOM 0 HB ILE A 50 18.736 -3.878 -11.064 1.00 11.24 H new ATOM 0 HG12 ILE A 50 18.613 -6.001 -12.350 1.00 62.04 H new ATOM 0 HG13 ILE A 50 18.297 -4.578 -13.323 1.00 62.04 H new ATOM 0 HG21 ILE A 50 19.641 -2.451 -12.857 1.00 41.04 H new ATOM 0 HG22 ILE A 50 20.635 -2.366 -11.383 1.00 41.04 H new ATOM 0 HG23 ILE A 50 21.185 -3.331 -12.773 1.00 41.04 H new ATOM 0 HD11 ILE A 50 19.718 -6.165 -14.527 1.00 33.30 H new ATOM 0 HD12 ILE A 50 20.602 -4.654 -14.206 1.00 33.30 H new ATOM 0 HD13 ILE A 50 20.923 -6.099 -13.218 1.00 33.30 H new ATOM 762 N THR A 51 22.141 -3.877 -9.319 1.00 55.43 N ATOM 763 CA THR A 51 22.590 -3.074 -8.189 1.00 41.42 C ATOM 764 C THR A 51 22.933 -1.654 -8.625 1.00 53.33 C ATOM 765 O THR A 51 23.858 -1.037 -8.096 1.00 54.45 O ATOM 766 CB THR A 51 23.822 -3.701 -7.509 1.00 14.10 C ATOM 767 OG1 THR A 51 24.868 -3.889 -8.468 1.00 21.11 O ATOM 768 CG2 THR A 51 23.466 -5.035 -6.870 1.00 41.02 C ATOM 0 H THR A 51 22.888 -4.179 -9.945 1.00 55.43 H new ATOM 0 HA THR A 51 21.766 -3.043 -7.476 1.00 41.42 H new ATOM 0 HB THR A 51 24.164 -3.022 -6.728 1.00 14.10 H new ATOM 0 HG1 THR A 51 25.648 -4.286 -8.028 1.00 21.11 H new ATOM 0 HG21 THR A 51 24.351 -5.459 -6.396 1.00 41.02 H new ATOM 0 HG22 THR A 51 22.690 -4.883 -6.120 1.00 41.02 H new ATOM 0 HG23 THR A 51 23.101 -5.720 -7.636 1.00 41.02 H new ATOM 776 N LYS A 52 22.181 -1.139 -9.593 1.00 21.42 N ATOM 777 CA LYS A 52 22.403 0.210 -10.100 1.00 23.44 C ATOM 778 C LYS A 52 21.677 0.420 -11.424 1.00 71.44 C ATOM 779 O LYS A 52 21.674 -0.444 -12.302 1.00 43.21 O ATOM 780 CB LYS A 52 23.901 0.469 -10.280 1.00 73.53 C ATOM 781 CG LYS A 52 24.474 1.451 -9.273 1.00 71.34 C ATOM 782 CD LYS A 52 25.993 1.423 -9.270 1.00 22.21 C ATOM 783 CE LYS A 52 26.572 2.679 -8.638 1.00 2.15 C ATOM 784 NZ LYS A 52 28.061 2.662 -8.633 1.00 43.24 N ATOM 0 H LYS A 52 21.412 -1.636 -10.042 1.00 21.42 H new ATOM 0 HA LYS A 52 22.003 0.916 -9.372 1.00 23.44 H new ATOM 0 HB2 LYS A 52 24.437 -0.477 -10.198 1.00 73.53 H new ATOM 0 HB3 LYS A 52 24.077 0.849 -11.286 1.00 73.53 H new ATOM 0 HG2 LYS A 52 24.128 2.458 -9.508 1.00 71.34 H new ATOM 0 HG3 LYS A 52 24.103 1.210 -8.277 1.00 71.34 H new ATOM 0 HD2 LYS A 52 26.341 0.546 -8.724 1.00 22.21 H new ATOM 0 HD3 LYS A 52 26.358 1.327 -10.293 1.00 22.21 H new ATOM 0 HE2 LYS A 52 26.221 3.555 -9.183 1.00 2.15 H new ATOM 0 HE3 LYS A 52 26.207 2.773 -7.615 1.00 2.15 H new ATOM 0 HZ1 LYS A 52 28.417 3.535 -8.194 1.00 43.24 H new ATOM 0 HZ2 LYS A 52 28.397 1.840 -8.091 1.00 43.24 H new ATOM 0 HZ3 LYS A 52 28.411 2.599 -9.610 1.00 43.24 H new ATOM 798 N PRO A 53 21.047 1.594 -11.575 1.00 73.01 N ATOM 799 CA PRO A 53 20.307 1.945 -12.791 1.00 41.10 C ATOM 800 C PRO A 53 21.229 2.175 -13.984 1.00 14.10 C ATOM 801 O PRO A 53 22.452 2.157 -13.849 1.00 63.03 O ATOM 802 CB PRO A 53 19.593 3.244 -12.409 1.00 33.10 C ATOM 803 CG PRO A 53 20.431 3.833 -11.328 1.00 11.43 C ATOM 804 CD PRO A 53 21.008 2.670 -10.570 1.00 61.32 C ATOM 0 HA PRO A 53 19.632 1.147 -13.102 1.00 41.10 H new ATOM 0 HB2 PRO A 53 19.515 3.919 -13.262 1.00 33.10 H new ATOM 0 HB3 PRO A 53 18.578 3.051 -12.062 1.00 33.10 H new ATOM 0 HG2 PRO A 53 21.221 4.458 -11.744 1.00 11.43 H new ATOM 0 HG3 PRO A 53 19.834 4.468 -10.673 1.00 11.43 H new ATOM 0 HD2 PRO A 53 22.002 2.895 -10.184 1.00 61.32 H new ATOM 0 HD3 PRO A 53 20.388 2.400 -9.715 1.00 61.32 H new ATOM 812 N LYS A 54 20.634 2.392 -15.152 1.00 74.11 N ATOM 813 CA LYS A 54 21.400 2.628 -16.370 1.00 23.53 C ATOM 814 C LYS A 54 20.794 3.767 -17.182 1.00 41.15 C ATOM 815 O LYS A 54 21.162 3.983 -18.336 1.00 42.12 O ATOM 816 CB LYS A 54 21.454 1.355 -17.218 1.00 31.45 C ATOM 817 CG LYS A 54 20.085 0.832 -17.618 1.00 10.31 C ATOM 818 CD LYS A 54 20.054 0.410 -19.077 1.00 41.53 C ATOM 819 CE LYS A 54 20.354 -1.072 -19.235 1.00 72.34 C ATOM 820 NZ LYS A 54 20.119 -1.540 -20.630 1.00 22.14 N ATOM 0 H LYS A 54 19.622 2.409 -15.281 1.00 74.11 H new ATOM 0 HA LYS A 54 22.413 2.909 -16.083 1.00 23.53 H new ATOM 0 HB2 LYS A 54 22.035 1.553 -18.119 1.00 31.45 H new ATOM 0 HB3 LYS A 54 21.981 0.580 -16.662 1.00 31.45 H new ATOM 0 HG2 LYS A 54 19.820 -0.017 -16.987 1.00 10.31 H new ATOM 0 HG3 LYS A 54 19.335 1.604 -17.446 1.00 10.31 H new ATOM 0 HD2 LYS A 54 19.074 0.631 -19.500 1.00 41.53 H new ATOM 0 HD3 LYS A 54 20.783 0.992 -19.641 1.00 41.53 H new ATOM 0 HE2 LYS A 54 21.390 -1.264 -18.957 1.00 72.34 H new ATOM 0 HE3 LYS A 54 19.729 -1.644 -18.550 1.00 72.34 H new ATOM 0 HZ1 LYS A 54 19.370 -2.262 -20.632 1.00 22.14 H new ATOM 0 HZ2 LYS A 54 19.827 -0.736 -21.221 1.00 22.14 H new ATOM 0 HZ3 LYS A 54 20.996 -1.949 -21.011 1.00 22.14 H new ATOM 834 N ASN A 55 19.864 4.494 -16.572 1.00 31.13 N ATOM 835 CA ASN A 55 19.207 5.612 -17.239 1.00 45.31 C ATOM 836 C ASN A 55 18.114 6.206 -16.357 1.00 12.23 C ATOM 837 O ASN A 55 17.009 6.484 -16.822 1.00 2.34 O ATOM 838 CB ASN A 55 18.612 5.159 -18.573 1.00 73.43 C ATOM 839 CG ASN A 55 18.977 6.087 -19.715 1.00 63.03 C ATOM 840 OD1 ASN A 55 18.192 6.952 -20.103 1.00 34.13 O ATOM 841 ND2 ASN A 55 20.175 5.911 -20.260 1.00 64.23 N ATOM 0 H ASN A 55 19.548 4.329 -15.616 1.00 31.13 H new ATOM 0 HA ASN A 55 19.956 6.382 -17.426 1.00 45.31 H new ATOM 0 HB2 ASN A 55 18.963 4.152 -18.801 1.00 73.43 H new ATOM 0 HB3 ASN A 55 17.527 5.106 -18.484 1.00 73.43 H new ATOM 0 HD21 ASN A 55 20.476 6.506 -21.032 1.00 64.23 H new ATOM 0 HD22 ASN A 55 20.794 5.181 -19.907 1.00 64.23 H new ATOM 848 N GLY A 56 18.430 6.399 -15.080 1.00 24.34 N ATOM 849 CA GLY A 56 17.465 6.959 -14.152 1.00 72.13 C ATOM 850 C GLY A 56 16.527 5.910 -13.588 1.00 54.34 C ATOM 851 O GLY A 56 15.970 6.085 -12.504 1.00 72.43 O ATOM 0 H GLY A 56 19.338 6.177 -14.671 1.00 24.34 H new ATOM 0 HA2 GLY A 56 17.994 7.447 -13.333 1.00 72.13 H new ATOM 0 HA3 GLY A 56 16.882 7.728 -14.659 1.00 72.13 H new ATOM 855 N ARG A 57 16.349 4.819 -14.326 1.00 44.10 N ATOM 856 CA ARG A 57 15.470 3.740 -13.894 1.00 75.33 C ATOM 857 C ARG A 57 16.166 2.388 -14.018 1.00 24.12 C ATOM 858 O ARG A 57 17.181 2.262 -14.704 1.00 10.05 O ATOM 859 CB ARG A 57 14.183 3.740 -14.722 1.00 61.22 C ATOM 860 CG ARG A 57 13.680 5.132 -15.066 1.00 11.35 C ATOM 861 CD ARG A 57 13.498 5.305 -16.565 1.00 73.33 C ATOM 862 NE ARG A 57 12.313 6.097 -16.885 1.00 62.13 N ATOM 863 CZ ARG A 57 12.043 6.555 -18.102 1.00 55.53 C ATOM 864 NH1 ARG A 57 12.867 6.301 -19.109 1.00 5.53 N ATOM 865 NH2 ARG A 57 10.944 7.269 -18.315 1.00 3.35 N ATOM 0 H ARG A 57 16.802 4.659 -15.226 1.00 44.10 H new ATOM 0 HA ARG A 57 15.221 3.906 -12.846 1.00 75.33 H new ATOM 0 HB2 ARG A 57 14.355 3.187 -15.645 1.00 61.22 H new ATOM 0 HB3 ARG A 57 13.407 3.208 -14.172 1.00 61.22 H new ATOM 0 HG2 ARG A 57 12.731 5.312 -14.560 1.00 11.35 H new ATOM 0 HG3 ARG A 57 14.385 5.876 -14.696 1.00 11.35 H new ATOM 0 HD2 ARG A 57 14.381 5.788 -16.984 1.00 73.33 H new ATOM 0 HD3 ARG A 57 13.417 4.325 -17.036 1.00 73.33 H new ATOM 0 HE ARG A 57 11.657 6.310 -16.133 1.00 62.13 H new ATOM 0 HH11 ARG A 57 13.712 5.752 -18.951 1.00 5.53 H new ATOM 0 HH12 ARG A 57 12.656 6.655 -20.042 1.00 5.53 H new ATOM 0 HH21 ARG A 57 10.306 7.466 -17.544 1.00 3.35 H new ATOM 0 HH22 ARG A 57 10.737 7.620 -19.250 1.00 3.35 H new ATOM 879 N TRP A 58 15.615 1.381 -13.349 1.00 45.25 N ATOM 880 CA TRP A 58 16.185 0.039 -13.384 1.00 73.20 C ATOM 881 C TRP A 58 15.684 -0.734 -14.600 1.00 2.44 C ATOM 882 O TRP A 58 14.603 -1.322 -14.570 1.00 20.31 O ATOM 883 CB TRP A 58 15.834 -0.719 -12.103 1.00 31.33 C ATOM 884 CG TRP A 58 15.975 0.112 -10.863 1.00 62.43 C ATOM 885 CD1 TRP A 58 15.087 1.034 -10.390 1.00 10.44 C ATOM 886 CD2 TRP A 58 17.071 0.096 -9.942 1.00 12.23 C ATOM 887 NE1 TRP A 58 15.564 1.594 -9.229 1.00 24.32 N ATOM 888 CE2 TRP A 58 16.779 1.035 -8.932 1.00 61.43 C ATOM 889 CE3 TRP A 58 18.268 -0.620 -9.870 1.00 24.15 C ATOM 890 CZ2 TRP A 58 17.643 1.274 -7.867 1.00 32.22 C ATOM 891 CZ3 TRP A 58 19.125 -0.381 -8.812 1.00 33.35 C ATOM 892 CH2 TRP A 58 18.808 0.558 -7.821 1.00 45.43 C ATOM 0 H TRP A 58 14.775 1.468 -12.777 1.00 45.25 H new ATOM 0 HA TRP A 58 17.268 0.133 -13.458 1.00 73.20 H new ATOM 0 HB2 TRP A 58 14.809 -1.082 -12.174 1.00 31.33 H new ATOM 0 HB3 TRP A 58 16.477 -1.595 -12.020 1.00 31.33 H new ATOM 0 HD1 TRP A 58 14.148 1.287 -10.859 1.00 10.44 H new ATOM 0 HE1 TRP A 58 15.090 2.310 -8.678 1.00 24.32 H new ATOM 0 HE3 TRP A 58 18.520 -1.348 -10.628 1.00 24.15 H new ATOM 0 HZ2 TRP A 58 17.402 1.999 -7.104 1.00 32.22 H new ATOM 0 HZ3 TRP A 58 20.055 -0.927 -8.748 1.00 33.35 H new ATOM 0 HH2 TRP A 58 19.497 0.720 -7.005 1.00 45.43 H new ATOM 903 N ILE A 59 16.476 -0.728 -15.666 1.00 42.53 N ATOM 904 CA ILE A 59 16.113 -1.429 -16.891 1.00 73.31 C ATOM 905 C ILE A 59 16.873 -2.745 -17.017 1.00 71.11 C ATOM 906 O ILE A 59 18.055 -2.826 -16.684 1.00 4.32 O ATOM 907 CB ILE A 59 16.390 -0.568 -18.137 1.00 42.31 C ATOM 908 CG1 ILE A 59 15.773 0.822 -17.971 1.00 1.44 C ATOM 909 CG2 ILE A 59 15.846 -1.249 -19.384 1.00 2.11 C ATOM 910 CD1 ILE A 59 16.316 1.845 -18.944 1.00 52.11 C ATOM 0 H ILE A 59 17.374 -0.245 -15.706 1.00 42.53 H new ATOM 0 HA ILE A 59 15.044 -1.633 -16.832 1.00 73.31 H new ATOM 0 HB ILE A 59 17.468 -0.455 -18.249 1.00 42.31 H new ATOM 0 HG12 ILE A 59 14.693 0.749 -18.099 1.00 1.44 H new ATOM 0 HG13 ILE A 59 15.951 1.170 -16.954 1.00 1.44 H new ATOM 0 HG21 ILE A 59 16.050 -0.628 -20.256 1.00 2.11 H new ATOM 0 HG22 ILE A 59 16.328 -2.219 -19.509 1.00 2.11 H new ATOM 0 HG23 ILE A 59 14.770 -1.389 -19.282 1.00 2.11 H new ATOM 0 HD11 ILE A 59 15.834 2.806 -18.768 1.00 52.11 H new ATOM 0 HD12 ILE A 59 17.392 1.947 -18.802 1.00 52.11 H new ATOM 0 HD13 ILE A 59 16.114 1.519 -19.965 1.00 52.11 H new ATOM 922 N PHE A 60 16.187 -3.775 -17.502 1.00 54.40 N ATOM 923 CA PHE A 60 16.797 -5.088 -17.673 1.00 41.34 C ATOM 924 C PHE A 60 16.442 -5.679 -19.034 1.00 73.34 C ATOM 925 O PHE A 60 15.448 -5.294 -19.650 1.00 50.43 O ATOM 926 CB PHE A 60 16.344 -6.034 -16.559 1.00 52.35 C ATOM 927 CG PHE A 60 16.770 -7.458 -16.772 1.00 71.23 C ATOM 928 CD1 PHE A 60 18.113 -7.793 -16.825 1.00 3.15 C ATOM 929 CD2 PHE A 60 15.827 -8.462 -16.921 1.00 32.42 C ATOM 930 CE1 PHE A 60 18.509 -9.103 -17.020 1.00 11.11 C ATOM 931 CE2 PHE A 60 16.216 -9.774 -17.116 1.00 3.00 C ATOM 932 CZ PHE A 60 17.559 -10.094 -17.167 1.00 31.52 C ATOM 0 H PHE A 60 15.208 -3.725 -17.784 1.00 54.40 H new ATOM 0 HA PHE A 60 17.879 -4.968 -17.620 1.00 41.34 H new ATOM 0 HB2 PHE A 60 16.745 -5.682 -15.609 1.00 52.35 H new ATOM 0 HB3 PHE A 60 15.257 -5.996 -16.480 1.00 52.35 H new ATOM 0 HD1 PHE A 60 18.860 -7.021 -16.713 1.00 3.15 H new ATOM 0 HD2 PHE A 60 14.776 -8.217 -16.884 1.00 32.42 H new ATOM 0 HE1 PHE A 60 19.560 -9.351 -17.057 1.00 11.11 H new ATOM 0 HE2 PHE A 60 15.471 -10.548 -17.228 1.00 3.00 H new ATOM 0 HZ PHE A 60 17.865 -11.118 -17.322 1.00 31.52 H new ATOM 942 N ARG A 61 17.261 -6.617 -19.497 1.00 63.53 N ATOM 943 CA ARG A 61 17.035 -7.261 -20.786 1.00 24.43 C ATOM 944 C ARG A 61 17.533 -8.704 -20.767 1.00 54.21 C ATOM 945 O ARG A 61 18.594 -8.998 -20.217 1.00 32.14 O ATOM 946 CB ARG A 61 17.738 -6.483 -21.899 1.00 41.32 C ATOM 947 CG ARG A 61 19.220 -6.258 -21.644 1.00 75.10 C ATOM 948 CD ARG A 61 19.485 -4.866 -21.093 1.00 21.03 C ATOM 949 NE ARG A 61 20.449 -4.130 -21.906 1.00 42.11 N ATOM 950 CZ ARG A 61 21.749 -4.403 -21.932 1.00 0.43 C ATOM 951 NH1 ARG A 61 22.237 -5.389 -21.193 1.00 64.41 N ATOM 952 NH2 ARG A 61 22.563 -3.688 -22.698 1.00 2.43 N ATOM 0 H ARG A 61 18.087 -6.948 -18.999 1.00 63.53 H new ATOM 0 HA ARG A 61 15.962 -7.267 -20.978 1.00 24.43 H new ATOM 0 HB2 ARG A 61 17.618 -7.022 -22.839 1.00 41.32 H new ATOM 0 HB3 ARG A 61 17.248 -5.517 -22.020 1.00 41.32 H new ATOM 0 HG2 ARG A 61 19.587 -7.005 -20.940 1.00 75.10 H new ATOM 0 HG3 ARG A 61 19.775 -6.395 -22.572 1.00 75.10 H new ATOM 0 HD2 ARG A 61 18.549 -4.310 -21.048 1.00 21.03 H new ATOM 0 HD3 ARG A 61 19.858 -4.945 -20.072 1.00 21.03 H new ATOM 0 HE ARG A 61 20.106 -3.364 -22.486 1.00 42.11 H new ATOM 0 HH11 ARG A 61 21.614 -5.940 -20.603 1.00 64.41 H new ATOM 0 HH12 ARG A 61 23.235 -5.597 -21.215 1.00 64.41 H new ATOM 0 HH21 ARG A 61 22.191 -2.928 -23.268 1.00 2.43 H new ATOM 0 HH22 ARG A 61 23.561 -3.898 -22.717 1.00 2.43 H new ATOM 966 N ASP A 62 16.759 -9.599 -21.372 1.00 12.44 N ATOM 967 CA ASP A 62 17.120 -11.010 -21.425 1.00 65.32 C ATOM 968 C ASP A 62 17.414 -11.442 -22.859 1.00 34.13 C ATOM 969 O ASP A 62 17.344 -10.636 -23.787 1.00 32.13 O ATOM 970 CB ASP A 62 15.998 -11.869 -20.840 1.00 40.12 C ATOM 971 CG ASP A 62 16.423 -12.596 -19.580 1.00 35.43 C ATOM 972 OD1 ASP A 62 17.395 -13.378 -19.644 1.00 53.02 O ATOM 973 OD2 ASP A 62 15.783 -12.384 -18.529 1.00 2.44 O ATOM 0 H ASP A 62 15.878 -9.372 -21.832 1.00 12.44 H new ATOM 0 HA ASP A 62 18.022 -11.151 -20.830 1.00 65.32 H new ATOM 0 HB2 ASP A 62 15.138 -11.237 -20.619 1.00 40.12 H new ATOM 0 HB3 ASP A 62 15.675 -12.597 -21.585 1.00 40.12 H new ATOM 978 N ARG A 63 17.743 -12.718 -23.031 1.00 71.04 N ATOM 979 CA ARG A 63 18.049 -13.256 -24.351 1.00 60.13 C ATOM 980 C ARG A 63 17.580 -14.703 -24.471 1.00 32.23 C ATOM 981 O ARG A 63 18.150 -15.490 -25.225 1.00 33.52 O ATOM 982 CB ARG A 63 19.552 -13.172 -24.624 1.00 20.03 C ATOM 983 CG ARG A 63 19.898 -12.432 -25.905 1.00 42.42 C ATOM 984 CD ARG A 63 20.301 -10.992 -25.625 1.00 55.04 C ATOM 985 NE ARG A 63 21.709 -10.749 -25.926 1.00 51.00 N ATOM 986 CZ ARG A 63 22.188 -10.635 -27.160 1.00 20.53 C ATOM 987 NH1 ARG A 63 21.376 -10.742 -28.202 1.00 51.03 N ATOM 988 NH2 ARG A 63 23.482 -10.414 -27.352 1.00 61.44 N ATOM 0 H ARG A 63 17.804 -13.398 -22.273 1.00 71.04 H new ATOM 0 HA ARG A 63 17.518 -12.657 -25.091 1.00 60.13 H new ATOM 0 HB2 ARG A 63 20.038 -12.675 -23.785 1.00 20.03 H new ATOM 0 HB3 ARG A 63 19.960 -14.181 -24.676 1.00 20.03 H new ATOM 0 HG2 ARG A 63 20.713 -12.946 -26.415 1.00 42.42 H new ATOM 0 HG3 ARG A 63 19.041 -12.447 -26.578 1.00 42.42 H new ATOM 0 HD2 ARG A 63 19.682 -10.320 -26.220 1.00 55.04 H new ATOM 0 HD3 ARG A 63 20.109 -10.759 -24.578 1.00 55.04 H new ATOM 0 HE ARG A 63 22.361 -10.662 -25.146 1.00 51.00 H new ATOM 0 HH11 ARG A 63 20.381 -10.912 -28.058 1.00 51.03 H new ATOM 0 HH12 ARG A 63 21.746 -10.654 -29.148 1.00 51.03 H new ATOM 0 HH21 ARG A 63 24.109 -10.332 -26.552 1.00 61.44 H new ATOM 0 HH22 ARG A 63 23.849 -10.327 -28.300 1.00 61.44 H new ATOM 1002 N ASN A 64 16.538 -15.046 -23.720 1.00 55.34 N ATOM 1003 CA ASN A 64 15.992 -16.398 -23.741 1.00 63.23 C ATOM 1004 C ASN A 64 14.475 -16.376 -23.582 1.00 42.41 C ATOM 1005 O ASN A 64 13.862 -17.385 -23.238 1.00 30.45 O ATOM 1006 CB ASN A 64 16.621 -17.241 -22.629 1.00 55.14 C ATOM 1007 CG ASN A 64 16.293 -16.711 -21.247 1.00 2.41 C ATOM 1008 OD1 ASN A 64 17.055 -15.933 -20.672 1.00 54.40 O ATOM 1009 ND2 ASN A 64 15.155 -17.131 -20.706 1.00 43.24 N ATOM 0 H ASN A 64 16.055 -14.406 -23.089 1.00 55.34 H new ATOM 0 HA ASN A 64 16.231 -16.844 -24.706 1.00 63.23 H new ATOM 0 HB2 ASN A 64 16.270 -18.269 -22.714 1.00 55.14 H new ATOM 0 HB3 ASN A 64 17.703 -17.262 -22.760 1.00 55.14 H new ATOM 0 HD21 ASN A 64 14.882 -16.808 -19.778 1.00 43.24 H new ATOM 0 HD22 ASN A 64 14.554 -17.776 -21.219 1.00 43.24 H new ATOM 1016 N ALA A 65 13.876 -15.217 -23.836 1.00 42.22 N ATOM 1017 CA ALA A 65 12.431 -15.063 -23.724 1.00 21.02 C ATOM 1018 C ALA A 65 11.790 -14.880 -25.095 1.00 62.34 C ATOM 1019 O ALA A 65 11.851 -13.799 -25.680 1.00 72.22 O ATOM 1020 CB ALA A 65 12.094 -13.886 -22.821 1.00 2.24 C ATOM 0 H ALA A 65 14.369 -14.371 -24.121 1.00 42.22 H new ATOM 0 HA ALA A 65 12.027 -15.974 -23.282 1.00 21.02 H new ATOM 0 HB1 ALA A 65 11.011 -13.783 -22.747 1.00 2.24 H new ATOM 0 HB2 ALA A 65 12.511 -14.057 -21.829 1.00 2.24 H new ATOM 0 HB3 ALA A 65 12.517 -12.973 -23.240 1.00 2.24 H new ATOM 1026 N ALA A 66 11.177 -15.944 -25.603 1.00 60.34 N ATOM 1027 CA ALA A 66 10.524 -15.900 -26.906 1.00 31.32 C ATOM 1028 C ALA A 66 9.021 -15.689 -26.759 1.00 51.43 C ATOM 1029 O ALA A 66 8.243 -16.643 -26.788 1.00 63.55 O ATOM 1030 CB ALA A 66 10.806 -17.179 -27.681 1.00 52.20 C ATOM 0 H ALA A 66 11.119 -16.847 -25.132 1.00 60.34 H new ATOM 0 HA ALA A 66 10.931 -15.055 -27.461 1.00 31.32 H new ATOM 0 HB1 ALA A 66 10.312 -17.133 -28.652 1.00 52.20 H new ATOM 0 HB2 ALA A 66 11.881 -17.287 -27.825 1.00 52.20 H new ATOM 0 HB3 ALA A 66 10.427 -18.034 -27.122 1.00 52.20 H new ATOM 1036 N LEU A 67 8.618 -14.433 -26.601 1.00 52.21 N ATOM 1037 CA LEU A 67 7.207 -14.096 -26.449 1.00 54.42 C ATOM 1038 C LEU A 67 6.758 -13.127 -27.539 1.00 31.02 C ATOM 1039 O LEU A 67 7.575 -12.611 -28.301 1.00 3.40 O ATOM 1040 CB LEU A 67 6.954 -13.483 -25.071 1.00 11.14 C ATOM 1041 CG LEU A 67 7.309 -12.003 -24.918 1.00 73.34 C ATOM 1042 CD1 LEU A 67 6.327 -11.312 -23.985 1.00 20.33 C ATOM 1043 CD2 LEU A 67 8.734 -11.846 -24.408 1.00 73.31 C ATOM 0 H LEU A 67 9.248 -13.631 -26.575 1.00 52.21 H new ATOM 0 HA LEU A 67 6.628 -15.014 -26.543 1.00 54.42 H new ATOM 0 HB2 LEU A 67 5.899 -13.610 -24.827 1.00 11.14 H new ATOM 0 HB3 LEU A 67 7.522 -14.050 -24.334 1.00 11.14 H new ATOM 0 HG LEU A 67 7.241 -11.530 -25.898 1.00 73.34 H new ATOM 0 HD11 LEU A 67 6.596 -10.260 -23.888 1.00 20.33 H new ATOM 0 HD12 LEU A 67 5.319 -11.393 -24.392 1.00 20.33 H new ATOM 0 HD13 LEU A 67 6.361 -11.787 -23.004 1.00 20.33 H new ATOM 0 HD21 LEU A 67 8.969 -10.787 -24.305 1.00 73.31 H new ATOM 0 HD22 LEU A 67 8.829 -12.335 -23.438 1.00 73.31 H new ATOM 0 HD23 LEU A 67 9.426 -12.304 -25.115 1.00 73.31 H new ATOM 1055 N LYS A 68 5.453 -12.883 -27.606 1.00 5.04 N ATOM 1056 CA LYS A 68 4.895 -11.974 -28.599 1.00 14.41 C ATOM 1057 C LYS A 68 3.562 -11.403 -28.125 1.00 52.12 C ATOM 1058 O LYS A 68 2.760 -12.105 -27.508 1.00 51.31 O ATOM 1059 CB LYS A 68 4.706 -12.697 -29.934 1.00 70.41 C ATOM 1060 CG LYS A 68 3.846 -13.945 -29.833 1.00 72.23 C ATOM 1061 CD LYS A 68 4.677 -15.169 -29.489 1.00 24.43 C ATOM 1062 CE LYS A 68 3.922 -16.457 -29.782 1.00 44.33 C ATOM 1063 NZ LYS A 68 4.840 -17.623 -29.902 1.00 23.21 N ATOM 0 H LYS A 68 4.762 -13.303 -26.984 1.00 5.04 H new ATOM 0 HA LYS A 68 5.596 -11.150 -28.735 1.00 14.41 H new ATOM 0 HB2 LYS A 68 4.252 -12.010 -30.649 1.00 70.41 H new ATOM 0 HB3 LYS A 68 5.684 -12.971 -30.331 1.00 70.41 H new ATOM 0 HG2 LYS A 68 3.080 -13.799 -29.072 1.00 72.23 H new ATOM 0 HG3 LYS A 68 3.329 -14.109 -30.779 1.00 72.23 H new ATOM 0 HD2 LYS A 68 5.605 -15.152 -30.061 1.00 24.43 H new ATOM 0 HD3 LYS A 68 4.951 -15.139 -28.435 1.00 24.43 H new ATOM 0 HE2 LYS A 68 3.200 -16.644 -28.987 1.00 44.33 H new ATOM 0 HE3 LYS A 68 3.356 -16.344 -30.707 1.00 44.33 H new ATOM 0 HZ1 LYS A 68 4.287 -18.481 -30.102 1.00 23.21 H new ATOM 0 HZ2 LYS A 68 5.513 -17.457 -30.677 1.00 23.21 H new ATOM 0 HZ3 LYS A 68 5.362 -17.747 -29.011 1.00 23.21 H new ATOM 1077 N ILE A 69 3.332 -10.128 -28.419 1.00 55.30 N ATOM 1078 CA ILE A 69 2.095 -9.465 -28.025 1.00 54.11 C ATOM 1079 C ILE A 69 0.961 -10.471 -27.856 1.00 63.13 C ATOM 1080 O ILE A 69 0.590 -11.168 -28.800 1.00 0.21 O ATOM 1081 CB ILE A 69 1.673 -8.402 -29.056 1.00 54.52 C ATOM 1082 CG1 ILE A 69 2.633 -7.211 -29.015 1.00 55.22 C ATOM 1083 CG2 ILE A 69 0.245 -7.947 -28.794 1.00 54.10 C ATOM 1084 CD1 ILE A 69 2.666 -6.507 -27.677 1.00 35.03 C ATOM 0 H ILE A 69 3.986 -9.533 -28.929 1.00 55.30 H new ATOM 0 HA ILE A 69 2.290 -8.977 -27.070 1.00 54.11 H new ATOM 0 HB ILE A 69 1.716 -8.845 -30.051 1.00 54.52 H new ATOM 0 HG12 ILE A 69 3.638 -7.556 -29.260 1.00 55.22 H new ATOM 0 HG13 ILE A 69 2.345 -6.496 -29.786 1.00 55.22 H new ATOM 0 HG21 ILE A 69 -0.038 -7.196 -29.531 1.00 54.10 H new ATOM 0 HG22 ILE A 69 -0.428 -8.801 -28.869 1.00 54.10 H new ATOM 0 HG23 ILE A 69 0.177 -7.518 -27.794 1.00 54.10 H new ATOM 0 HD11 ILE A 69 3.367 -5.674 -27.721 1.00 35.03 H new ATOM 0 HD12 ILE A 69 1.671 -6.131 -27.439 1.00 35.03 H new ATOM 0 HD13 ILE A 69 2.984 -7.208 -26.905 1.00 35.03 H new ATOM 1096 N GLY A 70 0.414 -10.540 -26.647 1.00 34.33 N ATOM 1097 CA GLY A 70 -0.674 -11.463 -26.376 1.00 45.12 C ATOM 1098 C GLY A 70 -0.343 -12.438 -25.264 1.00 12.14 C ATOM 1099 O GLY A 70 -1.237 -13.056 -24.685 1.00 60.55 O ATOM 0 H GLY A 70 0.704 -9.974 -25.850 1.00 34.33 H new ATOM 0 HA2 GLY A 70 -1.567 -10.899 -26.106 1.00 45.12 H new ATOM 0 HA3 GLY A 70 -0.910 -12.018 -27.284 1.00 45.12 H new ATOM 1103 N ASP A 71 0.943 -12.577 -24.964 1.00 24.21 N ATOM 1104 CA ASP A 71 1.390 -13.485 -23.913 1.00 50.25 C ATOM 1105 C ASP A 71 1.063 -12.922 -22.534 1.00 35.22 C ATOM 1106 O ASP A 71 0.438 -11.868 -22.413 1.00 73.23 O ATOM 1107 CB ASP A 71 2.894 -13.735 -24.032 1.00 21.41 C ATOM 1108 CG ASP A 71 3.210 -15.090 -24.636 1.00 14.32 C ATOM 1109 OD1 ASP A 71 2.261 -15.799 -25.031 1.00 74.04 O ATOM 1110 OD2 ASP A 71 4.406 -15.440 -24.714 1.00 35.03 O ATOM 0 H ASP A 71 1.695 -12.073 -25.433 1.00 24.21 H new ATOM 0 HA ASP A 71 0.862 -14.431 -24.034 1.00 50.25 H new ATOM 0 HB2 ASP A 71 3.342 -12.953 -24.646 1.00 21.41 H new ATOM 0 HB3 ASP A 71 3.350 -13.665 -23.045 1.00 21.41 H new ATOM 1115 N LYS A 72 1.488 -13.633 -21.495 1.00 15.23 N ATOM 1116 CA LYS A 72 1.240 -13.206 -20.123 1.00 5.34 C ATOM 1117 C LYS A 72 2.430 -13.538 -19.227 1.00 13.40 C ATOM 1118 O LYS A 72 3.256 -14.385 -19.566 1.00 45.21 O ATOM 1119 CB LYS A 72 -0.024 -13.875 -19.578 1.00 42.53 C ATOM 1120 CG LYS A 72 -1.275 -13.027 -19.732 1.00 43.21 C ATOM 1121 CD LYS A 72 -2.422 -13.828 -20.324 1.00 31.12 C ATOM 1122 CE LYS A 72 -3.414 -12.930 -21.047 1.00 71.43 C ATOM 1123 NZ LYS A 72 -4.660 -13.660 -21.411 1.00 32.33 N ATOM 0 H LYS A 72 2.006 -14.508 -21.577 1.00 15.23 H new ATOM 0 HA LYS A 72 1.099 -12.125 -20.126 1.00 5.34 H new ATOM 0 HB2 LYS A 72 -0.173 -14.824 -20.092 1.00 42.53 H new ATOM 0 HB3 LYS A 72 0.122 -14.104 -18.522 1.00 42.53 H new ATOM 0 HG2 LYS A 72 -1.570 -12.632 -18.760 1.00 43.21 H new ATOM 0 HG3 LYS A 72 -1.059 -12.171 -20.372 1.00 43.21 H new ATOM 0 HD2 LYS A 72 -2.028 -14.570 -21.018 1.00 31.12 H new ATOM 0 HD3 LYS A 72 -2.934 -14.373 -19.531 1.00 31.12 H new ATOM 0 HE2 LYS A 72 -3.664 -12.080 -20.412 1.00 71.43 H new ATOM 0 HE3 LYS A 72 -2.951 -12.530 -21.949 1.00 71.43 H new ATOM 0 HZ1 LYS A 72 -5.310 -13.014 -21.902 1.00 32.33 H new ATOM 0 HZ2 LYS A 72 -4.425 -14.457 -22.037 1.00 32.33 H new ATOM 0 HZ3 LYS A 72 -5.116 -14.020 -20.548 1.00 32.33 H new ATOM 1137 N ILE A 73 2.508 -12.866 -18.083 1.00 25.40 N ATOM 1138 CA ILE A 73 3.595 -13.093 -17.138 1.00 42.33 C ATOM 1139 C ILE A 73 3.078 -13.129 -15.704 1.00 43.31 C ATOM 1140 O ILE A 73 2.126 -12.429 -15.359 1.00 10.14 O ATOM 1141 CB ILE A 73 4.678 -12.004 -17.255 1.00 2.14 C ATOM 1142 CG1 ILE A 73 5.255 -11.977 -18.671 1.00 64.34 C ATOM 1143 CG2 ILE A 73 5.780 -12.241 -16.232 1.00 73.24 C ATOM 1144 CD1 ILE A 73 5.941 -10.675 -19.020 1.00 50.21 C ATOM 0 H ILE A 73 1.832 -12.161 -17.788 1.00 25.40 H new ATOM 0 HA ILE A 73 4.034 -14.059 -17.387 1.00 42.33 H new ATOM 0 HB ILE A 73 4.222 -11.035 -17.051 1.00 2.14 H new ATOM 0 HG12 ILE A 73 5.968 -12.794 -18.780 1.00 64.34 H new ATOM 0 HG13 ILE A 73 4.452 -12.158 -19.385 1.00 64.34 H new ATOM 0 HG21 ILE A 73 6.538 -11.463 -16.327 1.00 73.24 H new ATOM 0 HG22 ILE A 73 5.356 -12.214 -15.228 1.00 73.24 H new ATOM 0 HG23 ILE A 73 6.236 -13.215 -16.407 1.00 73.24 H new ATOM 0 HD11 ILE A 73 6.326 -10.728 -20.038 1.00 50.21 H new ATOM 0 HD12 ILE A 73 5.226 -9.855 -18.944 1.00 50.21 H new ATOM 0 HD13 ILE A 73 6.766 -10.502 -18.329 1.00 50.21 H new ATOM 1156 N TYR A 74 3.713 -13.947 -14.873 1.00 24.13 N ATOM 1157 CA TYR A 74 3.318 -14.075 -13.475 1.00 73.02 C ATOM 1158 C TYR A 74 4.529 -14.350 -12.589 1.00 73.31 C ATOM 1159 O TYR A 74 5.059 -15.461 -12.570 1.00 62.31 O ATOM 1160 CB TYR A 74 2.289 -15.196 -13.315 1.00 42.11 C ATOM 1161 CG TYR A 74 1.349 -15.327 -14.492 1.00 35.14 C ATOM 1162 CD1 TYR A 74 0.193 -14.559 -14.572 1.00 24.31 C ATOM 1163 CD2 TYR A 74 1.616 -16.219 -15.523 1.00 54.45 C ATOM 1164 CE1 TYR A 74 -0.669 -14.677 -15.645 1.00 11.35 C ATOM 1165 CE2 TYR A 74 0.760 -16.341 -16.601 1.00 35.52 C ATOM 1166 CZ TYR A 74 -0.382 -15.569 -16.656 1.00 43.24 C ATOM 1167 OH TYR A 74 -1.238 -15.688 -17.727 1.00 44.43 O ATOM 0 H TYR A 74 4.504 -14.532 -15.143 1.00 24.13 H new ATOM 0 HA TYR A 74 2.870 -13.132 -13.163 1.00 73.02 H new ATOM 0 HB2 TYR A 74 2.813 -16.141 -13.172 1.00 42.11 H new ATOM 0 HB3 TYR A 74 1.705 -15.016 -12.413 1.00 42.11 H new ATOM 0 HD1 TYR A 74 -0.035 -13.859 -13.782 1.00 24.31 H new ATOM 0 HD2 TYR A 74 2.507 -16.827 -15.481 1.00 54.45 H new ATOM 0 HE1 TYR A 74 -1.563 -14.073 -15.692 1.00 11.35 H new ATOM 0 HE2 TYR A 74 0.984 -17.037 -17.396 1.00 35.52 H new ATOM 0 HH TYR A 74 -0.890 -16.359 -18.351 1.00 44.43 H new ATOM 1177 N PHE A 75 4.961 -13.330 -11.855 1.00 73.23 N ATOM 1178 CA PHE A 75 6.109 -13.460 -10.966 1.00 64.23 C ATOM 1179 C PHE A 75 6.185 -12.282 -9.999 1.00 73.42 C ATOM 1180 O PHE A 75 5.241 -11.500 -9.883 1.00 24.13 O ATOM 1181 CB PHE A 75 7.403 -13.551 -11.779 1.00 55.21 C ATOM 1182 CG PHE A 75 7.881 -12.224 -12.294 1.00 51.43 C ATOM 1183 CD1 PHE A 75 7.079 -11.458 -13.125 1.00 71.12 C ATOM 1184 CD2 PHE A 75 9.133 -11.742 -11.948 1.00 41.31 C ATOM 1185 CE1 PHE A 75 7.516 -10.236 -13.601 1.00 31.02 C ATOM 1186 CE2 PHE A 75 9.575 -10.520 -12.420 1.00 62.32 C ATOM 1187 CZ PHE A 75 8.766 -9.767 -13.249 1.00 23.25 C ATOM 0 H PHE A 75 4.533 -12.404 -11.858 1.00 73.23 H new ATOM 0 HA PHE A 75 5.986 -14.375 -10.387 1.00 64.23 H new ATOM 0 HB2 PHE A 75 8.182 -13.993 -11.158 1.00 55.21 H new ATOM 0 HB3 PHE A 75 7.247 -14.224 -12.622 1.00 55.21 H new ATOM 0 HD1 PHE A 75 6.101 -11.820 -13.404 1.00 71.12 H new ATOM 0 HD2 PHE A 75 9.771 -12.327 -11.302 1.00 41.31 H new ATOM 0 HE1 PHE A 75 6.880 -9.649 -14.247 1.00 31.02 H new ATOM 0 HE2 PHE A 75 10.552 -10.154 -12.141 1.00 62.32 H new ATOM 0 HZ PHE A 75 9.111 -8.813 -13.621 1.00 23.25 H new ATOM 1197 N TRP A 76 7.312 -12.164 -9.308 1.00 5.10 N ATOM 1198 CA TRP A 76 7.511 -11.082 -8.350 1.00 64.10 C ATOM 1199 C TRP A 76 8.898 -10.467 -8.504 1.00 21.13 C ATOM 1200 O TRP A 76 9.739 -10.983 -9.240 1.00 45.04 O ATOM 1201 CB TRP A 76 7.324 -11.597 -6.922 1.00 53.10 C ATOM 1202 CG TRP A 76 8.002 -12.909 -6.670 1.00 24.14 C ATOM 1203 CD1 TRP A 76 7.736 -14.101 -7.281 1.00 51.34 C ATOM 1204 CD2 TRP A 76 9.058 -13.162 -5.737 1.00 24.24 C ATOM 1205 NE1 TRP A 76 8.563 -15.079 -6.785 1.00 32.32 N ATOM 1206 CE2 TRP A 76 9.384 -14.529 -5.837 1.00 20.04 C ATOM 1207 CE3 TRP A 76 9.762 -12.367 -4.828 1.00 61.11 C ATOM 1208 CZ2 TRP A 76 10.381 -15.115 -5.061 1.00 60.13 C ATOM 1209 CZ3 TRP A 76 10.751 -12.950 -4.059 1.00 61.31 C ATOM 1210 CH2 TRP A 76 11.054 -14.313 -4.180 1.00 32.11 C ATOM 0 H TRP A 76 8.102 -12.803 -9.392 1.00 5.10 H new ATOM 0 HA TRP A 76 6.767 -10.311 -8.551 1.00 64.10 H new ATOM 0 HB2 TRP A 76 7.711 -10.856 -6.223 1.00 53.10 H new ATOM 0 HB3 TRP A 76 6.258 -11.702 -6.718 1.00 53.10 H new ATOM 0 HD1 TRP A 76 6.985 -14.252 -8.043 1.00 51.34 H new ATOM 0 HE1 TRP A 76 8.565 -16.057 -7.076 1.00 32.32 H new ATOM 0 HE3 TRP A 76 9.537 -11.315 -4.728 1.00 61.11 H new ATOM 0 HZ2 TRP A 76 10.615 -16.166 -5.151 1.00 60.13 H new ATOM 0 HZ3 TRP A 76 11.300 -12.345 -3.353 1.00 61.31 H new ATOM 0 HH2 TRP A 76 11.834 -14.739 -3.566 1.00 32.11 H new ATOM 1221 N THR A 77 9.131 -9.361 -7.804 1.00 24.23 N ATOM 1222 CA THR A 77 10.416 -8.676 -7.863 1.00 41.34 C ATOM 1223 C THR A 77 10.812 -8.129 -6.496 1.00 71.44 C ATOM 1224 O THR A 77 9.955 -7.766 -5.690 1.00 63.40 O ATOM 1225 CB THR A 77 10.388 -7.517 -8.878 1.00 60.11 C ATOM 1226 OG1 THR A 77 9.179 -6.765 -8.729 1.00 10.51 O ATOM 1227 CG2 THR A 77 10.492 -8.042 -10.302 1.00 22.20 C ATOM 0 H THR A 77 8.446 -8.921 -7.190 1.00 24.23 H new ATOM 0 HA THR A 77 11.152 -9.413 -8.183 1.00 41.34 H new ATOM 0 HB THR A 77 11.244 -6.871 -8.682 1.00 60.11 H new ATOM 0 HG1 THR A 77 9.170 -6.029 -9.376 1.00 10.51 H new ATOM 0 HG21 THR A 77 10.470 -7.206 -11.001 1.00 22.20 H new ATOM 0 HG22 THR A 77 11.427 -8.590 -10.421 1.00 22.20 H new ATOM 0 HG23 THR A 77 9.653 -8.708 -10.507 1.00 22.20 H new ATOM 1235 N PHE A 78 12.115 -8.073 -6.242 1.00 11.14 N ATOM 1236 CA PHE A 78 12.624 -7.571 -4.971 1.00 3.41 C ATOM 1237 C PHE A 78 13.318 -6.224 -5.157 1.00 63.40 C ATOM 1238 O PHE A 78 13.971 -5.985 -6.173 1.00 52.21 O ATOM 1239 CB PHE A 78 13.597 -8.577 -4.353 1.00 70.43 C ATOM 1240 CG PHE A 78 13.209 -9.015 -2.970 1.00 12.32 C ATOM 1241 CD1 PHE A 78 12.169 -9.910 -2.778 1.00 60.21 C ATOM 1242 CD2 PHE A 78 13.883 -8.530 -1.861 1.00 4.11 C ATOM 1243 CE1 PHE A 78 11.809 -10.315 -1.506 1.00 44.04 C ATOM 1244 CE2 PHE A 78 13.529 -8.931 -0.587 1.00 34.41 C ATOM 1245 CZ PHE A 78 12.490 -9.824 -0.409 1.00 74.03 C ATOM 0 H PHE A 78 12.837 -8.369 -6.899 1.00 11.14 H new ATOM 0 HA PHE A 78 11.777 -7.435 -4.298 1.00 3.41 H new ATOM 0 HB2 PHE A 78 13.660 -9.453 -4.999 1.00 70.43 H new ATOM 0 HB3 PHE A 78 14.592 -8.134 -4.319 1.00 70.43 H new ATOM 0 HD1 PHE A 78 11.633 -10.296 -3.632 1.00 60.21 H new ATOM 0 HD2 PHE A 78 14.695 -7.830 -1.994 1.00 4.11 H new ATOM 0 HE1 PHE A 78 10.997 -11.014 -1.370 1.00 44.04 H new ATOM 0 HE2 PHE A 78 14.064 -8.547 0.269 1.00 34.41 H new ATOM 0 HZ PHE A 78 12.211 -10.138 0.586 1.00 74.03 H new ATOM 1255 N VAL A 79 13.172 -5.348 -4.168 1.00 70.12 N ATOM 1256 CA VAL A 79 13.784 -4.026 -4.221 1.00 63.05 C ATOM 1257 C VAL A 79 14.261 -3.585 -2.842 1.00 72.11 C ATOM 1258 O VAL A 79 13.918 -4.198 -1.831 1.00 21.33 O ATOM 1259 CB VAL A 79 12.803 -2.975 -4.774 1.00 3.11 C ATOM 1260 CG1 VAL A 79 13.036 -2.757 -6.261 1.00 50.41 C ATOM 1261 CG2 VAL A 79 11.366 -3.396 -4.507 1.00 1.12 C ATOM 0 H VAL A 79 12.635 -5.530 -3.320 1.00 70.12 H new ATOM 0 HA VAL A 79 14.640 -4.101 -4.891 1.00 63.05 H new ATOM 0 HB VAL A 79 12.982 -2.030 -4.261 1.00 3.11 H new ATOM 0 HG11 VAL A 79 12.334 -2.011 -6.634 1.00 50.41 H new ATOM 0 HG12 VAL A 79 14.056 -2.408 -6.422 1.00 50.41 H new ATOM 0 HG13 VAL A 79 12.886 -3.696 -6.794 1.00 50.41 H new ATOM 0 HG21 VAL A 79 10.686 -2.642 -4.904 1.00 1.12 H new ATOM 0 HG22 VAL A 79 11.171 -4.352 -4.992 1.00 1.12 H new ATOM 0 HG23 VAL A 79 11.210 -3.496 -3.433 1.00 1.12 H new ATOM 1271 N ILE A 80 15.052 -2.518 -2.809 1.00 23.43 N ATOM 1272 CA ILE A 80 15.575 -1.994 -1.553 1.00 34.42 C ATOM 1273 C ILE A 80 15.768 -0.484 -1.626 1.00 3.42 C ATOM 1274 O ILE A 80 16.793 0.000 -2.108 1.00 72.22 O ATOM 1275 CB ILE A 80 16.915 -2.655 -1.181 1.00 62.22 C ATOM 1276 CG1 ILE A 80 16.736 -4.166 -1.015 1.00 55.45 C ATOM 1277 CG2 ILE A 80 17.474 -2.040 0.093 1.00 12.21 C ATOM 1278 CD1 ILE A 80 18.040 -4.916 -0.858 1.00 52.45 C ATOM 0 H ILE A 80 15.345 -1.999 -3.637 1.00 23.43 H new ATOM 0 HA ILE A 80 14.839 -2.227 -0.783 1.00 34.42 H new ATOM 0 HB ILE A 80 17.626 -2.479 -1.989 1.00 62.22 H new ATOM 0 HG12 ILE A 80 16.110 -4.356 -0.143 1.00 55.45 H new ATOM 0 HG13 ILE A 80 16.203 -4.558 -1.881 1.00 55.45 H new ATOM 0 HG21 ILE A 80 18.421 -2.518 0.343 1.00 12.21 H new ATOM 0 HG22 ILE A 80 17.635 -0.973 -0.058 1.00 12.21 H new ATOM 0 HG23 ILE A 80 16.767 -2.188 0.909 1.00 12.21 H new ATOM 0 HD11 ILE A 80 17.836 -5.981 -0.745 1.00 52.45 H new ATOM 0 HD12 ILE A 80 18.660 -4.757 -1.740 1.00 52.45 H new ATOM 0 HD13 ILE A 80 18.565 -4.552 0.025 1.00 52.45 H new ATOM 1290 N LYS A 81 14.778 0.258 -1.142 1.00 10.40 N ATOM 1291 CA LYS A 81 14.839 1.715 -1.149 1.00 0.25 C ATOM 1292 C LYS A 81 14.943 2.262 0.272 1.00 74.23 C ATOM 1293 O LYS A 81 14.207 1.840 1.164 1.00 21.04 O ATOM 1294 CB LYS A 81 13.603 2.295 -1.841 1.00 23.24 C ATOM 1295 CG LYS A 81 13.496 3.806 -1.728 1.00 71.35 C ATOM 1296 CD LYS A 81 12.084 4.240 -1.372 1.00 71.44 C ATOM 1297 CE LYS A 81 11.897 5.737 -1.560 1.00 0.31 C ATOM 1298 NZ LYS A 81 10.562 6.062 -2.135 1.00 43.11 N ATOM 0 H LYS A 81 13.923 -0.126 -0.740 1.00 10.40 H new ATOM 0 HA LYS A 81 15.730 2.014 -1.701 1.00 0.25 H new ATOM 0 HB2 LYS A 81 13.624 2.018 -2.895 1.00 23.24 H new ATOM 0 HB3 LYS A 81 12.710 1.843 -1.410 1.00 23.24 H new ATOM 0 HG2 LYS A 81 14.190 4.165 -0.968 1.00 71.35 H new ATOM 0 HG3 LYS A 81 13.791 4.264 -2.672 1.00 71.35 H new ATOM 0 HD2 LYS A 81 11.369 3.702 -1.995 1.00 71.44 H new ATOM 0 HD3 LYS A 81 11.870 3.973 -0.337 1.00 71.44 H new ATOM 0 HE2 LYS A 81 12.011 6.241 -0.600 1.00 0.31 H new ATOM 0 HE3 LYS A 81 12.678 6.121 -2.216 1.00 0.31 H new ATOM 0 HZ1 LYS A 81 10.673 6.353 -3.127 1.00 43.11 H new ATOM 0 HZ2 LYS A 81 9.949 5.223 -2.086 1.00 43.11 H new ATOM 0 HZ3 LYS A 81 10.130 6.838 -1.593 1.00 43.11 H new ATOM 1312 N ASP A 82 15.858 3.203 0.473 1.00 23.22 N ATOM 1313 CA ASP A 82 16.056 3.809 1.785 1.00 51.13 C ATOM 1314 C ASP A 82 16.174 2.739 2.866 1.00 55.32 C ATOM 1315 O ASP A 82 15.676 2.909 3.978 1.00 74.21 O ATOM 1316 CB ASP A 82 14.901 4.757 2.111 1.00 11.02 C ATOM 1317 CG ASP A 82 15.234 6.203 1.802 1.00 12.40 C ATOM 1318 OD1 ASP A 82 16.301 6.674 2.248 1.00 52.44 O ATOM 1319 OD2 ASP A 82 14.427 6.865 1.115 1.00 31.41 O ATOM 0 H ASP A 82 16.475 3.563 -0.255 1.00 23.22 H new ATOM 0 HA ASP A 82 16.986 4.377 1.760 1.00 51.13 H new ATOM 0 HB2 ASP A 82 14.020 4.461 1.542 1.00 11.02 H new ATOM 0 HB3 ASP A 82 14.645 4.664 3.166 1.00 11.02 H new ATOM 1324 N GLY A 83 16.835 1.636 2.530 1.00 23.11 N ATOM 1325 CA GLY A 83 17.005 0.554 3.482 1.00 1.14 C ATOM 1326 C GLY A 83 15.686 0.072 4.053 1.00 24.23 C ATOM 1327 O GLY A 83 15.628 -0.399 5.190 1.00 64.30 O ATOM 0 H GLY A 83 17.256 1.472 1.615 1.00 23.11 H new ATOM 0 HA2 GLY A 83 17.512 -0.279 2.994 1.00 1.14 H new ATOM 0 HA3 GLY A 83 17.649 0.888 4.295 1.00 1.14 H new ATOM 1331 N LEU A 84 14.624 0.190 3.265 1.00 13.41 N ATOM 1332 CA LEU A 84 13.298 -0.236 3.699 1.00 12.21 C ATOM 1333 C LEU A 84 13.020 -1.673 3.270 1.00 41.11 C ATOM 1334 O LEU A 84 12.755 -2.540 4.102 1.00 52.34 O ATOM 1335 CB LEU A 84 12.228 0.695 3.126 1.00 41.42 C ATOM 1336 CG LEU A 84 12.091 2.059 3.805 1.00 63.34 C ATOM 1337 CD1 LEU A 84 11.632 3.109 2.805 1.00 33.12 C ATOM 1338 CD2 LEU A 84 11.125 1.976 4.977 1.00 54.21 C ATOM 0 H LEU A 84 14.655 0.577 2.322 1.00 13.41 H new ATOM 0 HA LEU A 84 13.267 -0.189 4.788 1.00 12.21 H new ATOM 0 HB2 LEU A 84 12.444 0.857 2.070 1.00 41.42 H new ATOM 0 HB3 LEU A 84 11.266 0.186 3.180 1.00 41.42 H new ATOM 0 HG LEU A 84 13.068 2.354 4.187 1.00 63.34 H new ATOM 0 HD11 LEU A 84 11.540 4.073 3.306 1.00 33.12 H new ATOM 0 HD12 LEU A 84 12.361 3.187 1.999 1.00 33.12 H new ATOM 0 HD13 LEU A 84 10.665 2.821 2.393 1.00 33.12 H new ATOM 0 HD21 LEU A 84 11.040 2.955 5.448 1.00 54.21 H new ATOM 0 HD22 LEU A 84 10.145 1.659 4.619 1.00 54.21 H new ATOM 0 HD23 LEU A 84 11.497 1.254 5.704 1.00 54.21 H new ATOM 1350 N GLY A 85 13.085 -1.919 1.965 1.00 43.43 N ATOM 1351 CA GLY A 85 12.841 -3.252 1.448 1.00 73.42 C ATOM 1352 C GLY A 85 11.412 -3.439 0.977 1.00 50.31 C ATOM 1353 O GLY A 85 10.470 -3.284 1.754 1.00 34.31 O ATOM 0 H GLY A 85 13.302 -1.218 1.257 1.00 43.43 H new ATOM 0 HA2 GLY A 85 13.522 -3.447 0.619 1.00 73.42 H new ATOM 0 HA3 GLY A 85 13.064 -3.985 2.223 1.00 73.42 H new ATOM 1357 N TYR A 86 11.250 -3.770 -0.299 1.00 50.33 N ATOM 1358 CA TYR A 86 9.925 -3.973 -0.874 1.00 25.00 C ATOM 1359 C TYR A 86 9.943 -5.105 -1.896 1.00 61.42 C ATOM 1360 O TYR A 86 11.004 -5.517 -2.366 1.00 4.55 O ATOM 1361 CB TYR A 86 9.429 -2.685 -1.532 1.00 12.40 C ATOM 1362 CG TYR A 86 9.218 -1.549 -0.556 1.00 41.25 C ATOM 1363 CD1 TYR A 86 8.024 -1.420 0.142 1.00 12.31 C ATOM 1364 CD2 TYR A 86 10.212 -0.604 -0.334 1.00 23.20 C ATOM 1365 CE1 TYR A 86 7.826 -0.383 1.034 1.00 64.22 C ATOM 1366 CE2 TYR A 86 10.024 0.435 0.557 1.00 62.41 C ATOM 1367 CZ TYR A 86 8.830 0.541 1.238 1.00 34.02 C ATOM 1368 OH TYR A 86 8.638 1.575 2.125 1.00 12.25 O ATOM 0 H TYR A 86 12.019 -3.904 -0.955 1.00 50.33 H new ATOM 0 HA TYR A 86 9.245 -4.246 -0.068 1.00 25.00 H new ATOM 0 HB2 TYR A 86 10.148 -2.373 -2.289 1.00 12.40 H new ATOM 0 HB3 TYR A 86 8.491 -2.889 -2.048 1.00 12.40 H new ATOM 0 HD1 TYR A 86 7.237 -2.143 -0.015 1.00 12.31 H new ATOM 0 HD2 TYR A 86 11.148 -0.683 -0.867 1.00 23.20 H new ATOM 0 HE1 TYR A 86 6.891 -0.297 1.568 1.00 64.22 H new ATOM 0 HE2 TYR A 86 10.808 1.160 0.719 1.00 62.41 H new ATOM 0 HH TYR A 86 8.027 1.287 2.835 1.00 12.25 H new ATOM 1378 N ARG A 87 8.759 -5.605 -2.237 1.00 4.41 N ATOM 1379 CA ARG A 87 8.637 -6.690 -3.203 1.00 3.40 C ATOM 1380 C ARG A 87 7.233 -6.732 -3.799 1.00 2.51 C ATOM 1381 O ARG A 87 6.240 -6.628 -3.079 1.00 45.40 O ATOM 1382 CB ARG A 87 8.962 -8.030 -2.540 1.00 51.24 C ATOM 1383 CG ARG A 87 8.274 -9.216 -3.197 1.00 4.14 C ATOM 1384 CD ARG A 87 7.031 -9.634 -2.428 1.00 74.02 C ATOM 1385 NE ARG A 87 7.361 -10.257 -1.149 1.00 70.13 N ATOM 1386 CZ ARG A 87 6.449 -10.675 -0.278 1.00 64.44 C ATOM 1387 NH1 ARG A 87 5.158 -10.538 -0.548 1.00 24.44 N ATOM 1388 NH2 ARG A 87 6.829 -11.233 0.865 1.00 54.24 N ATOM 0 H ARG A 87 7.871 -5.276 -1.858 1.00 4.41 H new ATOM 0 HA ARG A 87 9.349 -6.508 -4.008 1.00 3.40 H new ATOM 0 HB2 ARG A 87 10.040 -8.186 -2.565 1.00 51.24 H new ATOM 0 HB3 ARG A 87 8.671 -7.987 -1.491 1.00 51.24 H new ATOM 0 HG2 ARG A 87 8.001 -8.959 -4.220 1.00 4.14 H new ATOM 0 HG3 ARG A 87 8.968 -10.055 -3.254 1.00 4.14 H new ATOM 0 HD2 ARG A 87 6.402 -8.761 -2.254 1.00 74.02 H new ATOM 0 HD3 ARG A 87 6.449 -10.331 -3.031 1.00 74.02 H new ATOM 0 HE ARG A 87 8.346 -10.378 -0.911 1.00 70.13 H new ATOM 0 HH11 ARG A 87 4.863 -10.111 -1.426 1.00 24.44 H new ATOM 0 HH12 ARG A 87 4.460 -10.860 0.122 1.00 24.44 H new ATOM 0 HH21 ARG A 87 7.821 -11.341 1.075 1.00 54.24 H new ATOM 0 HH22 ARG A 87 6.129 -11.554 1.534 1.00 54.24 H new ATOM 1402 N GLN A 88 7.160 -6.884 -5.117 1.00 53.32 N ATOM 1403 CA GLN A 88 5.877 -6.938 -5.809 1.00 44.11 C ATOM 1404 C GLN A 88 5.261 -8.329 -5.705 1.00 61.11 C ATOM 1405 O GLN A 88 5.969 -9.321 -5.530 1.00 41.14 O ATOM 1406 CB GLN A 88 6.051 -6.552 -7.279 1.00 75.42 C ATOM 1407 CG GLN A 88 4.741 -6.238 -7.984 1.00 72.42 C ATOM 1408 CD GLN A 88 4.226 -4.848 -7.668 1.00 23.15 C ATOM 1409 OE1 GLN A 88 3.654 -4.613 -6.603 1.00 75.11 O ATOM 1410 NE2 GLN A 88 4.428 -3.917 -8.592 1.00 43.14 N ATOM 0 H GLN A 88 7.973 -6.972 -5.727 1.00 53.32 H new ATOM 0 HA GLN A 88 5.204 -6.226 -5.331 1.00 44.11 H new ATOM 0 HB2 GLN A 88 6.706 -5.683 -7.343 1.00 75.42 H new ATOM 0 HB3 GLN A 88 6.550 -7.367 -7.803 1.00 75.42 H new ATOM 0 HG2 GLN A 88 4.881 -6.333 -9.061 1.00 72.42 H new ATOM 0 HG3 GLN A 88 3.991 -6.974 -7.693 1.00 72.42 H new ATOM 0 HE21 GLN A 88 4.907 -4.156 -9.460 1.00 43.14 H new ATOM 0 HE22 GLN A 88 4.105 -2.963 -8.434 1.00 43.14 H new ATOM 1419 N ASP A 89 3.939 -8.394 -5.813 1.00 73.33 N ATOM 1420 CA ASP A 89 3.227 -9.664 -5.732 1.00 74.42 C ATOM 1421 C ASP A 89 2.110 -9.729 -6.770 1.00 3.31 C ATOM 1422 O ASP A 89 2.075 -8.933 -7.708 1.00 32.34 O ATOM 1423 CB ASP A 89 2.648 -9.861 -4.330 1.00 3.51 C ATOM 1424 CG ASP A 89 1.186 -9.468 -4.246 1.00 44.24 C ATOM 1425 OD1 ASP A 89 0.895 -8.255 -4.297 1.00 15.11 O ATOM 1426 OD2 ASP A 89 0.334 -10.373 -4.130 1.00 21.43 O ATOM 0 H ASP A 89 3.338 -7.582 -5.957 1.00 73.33 H new ATOM 0 HA ASP A 89 3.938 -10.464 -5.939 1.00 74.42 H new ATOM 0 HB2 ASP A 89 2.758 -10.906 -4.038 1.00 3.51 H new ATOM 0 HB3 ASP A 89 3.222 -9.269 -3.617 1.00 3.51 H new ATOM 1431 N ASN A 90 1.201 -10.682 -6.595 1.00 30.20 N ATOM 1432 CA ASN A 90 0.084 -10.852 -7.517 1.00 41.44 C ATOM 1433 C ASN A 90 0.510 -11.649 -8.747 1.00 11.53 C ATOM 1434 O ASN A 90 -0.230 -12.504 -9.232 1.00 5.31 O ATOM 1435 CB ASN A 90 -0.463 -9.488 -7.944 1.00 74.11 C ATOM 1436 CG ASN A 90 -1.976 -9.482 -8.058 1.00 64.11 C ATOM 1437 OD1 ASN A 90 -2.528 -9.661 -9.144 1.00 30.04 O ATOM 1438 ND2 ASN A 90 -2.653 -9.275 -6.935 1.00 24.44 N ATOM 0 H ASN A 90 1.216 -11.349 -5.823 1.00 30.20 H new ATOM 0 HA ASN A 90 -0.700 -11.406 -7.001 1.00 41.44 H new ATOM 0 HB2 ASN A 90 -0.153 -8.733 -7.222 1.00 74.11 H new ATOM 0 HB3 ASN A 90 -0.028 -9.209 -8.904 1.00 74.11 H new ATOM 0 HD21 ASN A 90 -3.673 -9.260 -6.950 1.00 24.44 H new ATOM 0 HD22 ASN A 90 -2.153 -9.131 -6.057 1.00 24.44 H new ATOM 1445 N GLY A 91 1.709 -11.361 -9.245 1.00 74.55 N ATOM 1446 CA GLY A 91 2.213 -12.060 -10.413 1.00 72.04 C ATOM 1447 C GLY A 91 1.197 -12.119 -11.537 1.00 42.31 C ATOM 1448 O GLY A 91 0.476 -13.105 -11.679 1.00 33.24 O ATOM 0 H GLY A 91 2.339 -10.657 -8.861 1.00 74.55 H new ATOM 0 HA2 GLY A 91 3.115 -11.563 -10.769 1.00 72.04 H new ATOM 0 HA3 GLY A 91 2.498 -13.074 -10.131 1.00 72.04 H new ATOM 1452 N GLU A 92 1.140 -11.058 -12.337 1.00 61.41 N ATOM 1453 CA GLU A 92 0.203 -10.993 -13.452 1.00 71.43 C ATOM 1454 C GLU A 92 0.471 -9.765 -14.317 1.00 71.24 C ATOM 1455 O GLU A 92 0.239 -8.633 -13.894 1.00 42.33 O ATOM 1456 CB GLU A 92 -1.237 -10.963 -12.936 1.00 52.21 C ATOM 1457 CG GLU A 92 -2.281 -11.016 -14.039 1.00 65.14 C ATOM 1458 CD GLU A 92 -3.614 -11.551 -13.556 1.00 33.33 C ATOM 1459 OE1 GLU A 92 -4.115 -11.052 -12.526 1.00 61.11 O ATOM 1460 OE2 GLU A 92 -4.157 -12.469 -14.206 1.00 12.22 O ATOM 0 H GLU A 92 1.731 -10.233 -12.233 1.00 61.41 H new ATOM 0 HA GLU A 92 0.343 -11.884 -14.064 1.00 71.43 H new ATOM 0 HB2 GLU A 92 -1.390 -11.806 -12.262 1.00 52.21 H new ATOM 0 HB3 GLU A 92 -1.385 -10.056 -12.350 1.00 52.21 H new ATOM 0 HG2 GLU A 92 -2.422 -10.016 -14.449 1.00 65.14 H new ATOM 0 HG3 GLU A 92 -1.914 -11.644 -14.851 1.00 65.14 H new ATOM 1467 N TRP A 93 0.961 -9.999 -15.530 1.00 14.45 N ATOM 1468 CA TRP A 93 1.261 -8.912 -16.454 1.00 42.45 C ATOM 1469 C TRP A 93 1.083 -9.362 -17.900 1.00 70.02 C ATOM 1470 O TRP A 93 1.811 -10.229 -18.386 1.00 13.13 O ATOM 1471 CB TRP A 93 2.689 -8.409 -16.236 1.00 42.13 C ATOM 1472 CG TRP A 93 2.866 -7.661 -14.949 1.00 74.42 C ATOM 1473 CD1 TRP A 93 2.487 -6.375 -14.690 1.00 43.01 C ATOM 1474 CD2 TRP A 93 3.467 -8.155 -13.747 1.00 53.21 C ATOM 1475 NE1 TRP A 93 2.817 -6.039 -13.399 1.00 41.02 N ATOM 1476 CE2 TRP A 93 3.418 -7.114 -12.799 1.00 41.24 C ATOM 1477 CE3 TRP A 93 4.039 -9.375 -13.378 1.00 62.13 C ATOM 1478 CZ2 TRP A 93 3.922 -7.258 -11.509 1.00 74.03 C ATOM 1479 CZ3 TRP A 93 4.539 -9.516 -12.098 1.00 33.53 C ATOM 1480 CH2 TRP A 93 4.477 -8.463 -11.175 1.00 73.44 C ATOM 0 H TRP A 93 1.158 -10.931 -15.895 1.00 14.45 H new ATOM 0 HA TRP A 93 0.563 -8.098 -16.257 1.00 42.45 H new ATOM 0 HB2 TRP A 93 3.372 -9.258 -16.251 1.00 42.13 H new ATOM 0 HB3 TRP A 93 2.969 -7.760 -17.066 1.00 42.13 H new ATOM 0 HD1 TRP A 93 2.000 -5.719 -15.396 1.00 43.01 H new ATOM 0 HE1 TRP A 93 2.643 -5.136 -12.959 1.00 41.02 H new ATOM 0 HE3 TRP A 93 4.089 -10.193 -14.081 1.00 62.13 H new ATOM 0 HZ2 TRP A 93 3.876 -6.447 -10.797 1.00 74.03 H new ATOM 0 HZ3 TRP A 93 4.986 -10.454 -11.803 1.00 33.53 H new ATOM 0 HH2 TRP A 93 4.875 -8.606 -10.181 1.00 73.44 H new ATOM 1491 N THR A 94 0.110 -8.768 -18.585 1.00 64.31 N ATOM 1492 CA THR A 94 -0.164 -9.110 -19.975 1.00 44.53 C ATOM 1493 C THR A 94 0.683 -8.269 -20.925 1.00 35.02 C ATOM 1494 O THR A 94 0.820 -7.059 -20.744 1.00 55.04 O ATOM 1495 CB THR A 94 -1.652 -8.911 -20.320 1.00 2.03 C ATOM 1496 OG1 THR A 94 -2.472 -9.535 -19.326 1.00 31.22 O ATOM 1497 CG2 THR A 94 -1.973 -9.493 -21.688 1.00 42.21 C ATOM 0 H THR A 94 -0.501 -8.048 -18.199 1.00 64.31 H new ATOM 0 HA THR A 94 0.092 -10.162 -20.098 1.00 44.53 H new ATOM 0 HB THR A 94 -1.858 -7.841 -20.341 1.00 2.03 H new ATOM 0 HG1 THR A 94 -3.417 -9.403 -19.551 1.00 31.22 H new ATOM 0 HG21 THR A 94 -3.029 -9.340 -21.910 1.00 42.21 H new ATOM 0 HG22 THR A 94 -1.368 -8.996 -22.446 1.00 42.21 H new ATOM 0 HG23 THR A 94 -1.752 -10.560 -21.690 1.00 42.21 H new ATOM 1505 N VAL A 95 1.248 -8.918 -21.938 1.00 4.24 N ATOM 1506 CA VAL A 95 2.080 -8.229 -22.917 1.00 61.33 C ATOM 1507 C VAL A 95 1.237 -7.350 -23.833 1.00 55.41 C ATOM 1508 O VAL A 95 0.412 -7.846 -24.600 1.00 21.44 O ATOM 1509 CB VAL A 95 2.879 -9.228 -23.776 1.00 1.41 C ATOM 1510 CG1 VAL A 95 3.844 -8.491 -24.693 1.00 21.24 C ATOM 1511 CG2 VAL A 95 3.622 -10.216 -22.890 1.00 71.41 C ATOM 0 H VAL A 95 1.145 -9.919 -22.102 1.00 4.24 H new ATOM 0 HA VAL A 95 2.776 -7.604 -22.357 1.00 61.33 H new ATOM 0 HB VAL A 95 2.180 -9.787 -24.398 1.00 1.41 H new ATOM 0 HG11 VAL A 95 4.400 -9.213 -25.292 1.00 21.24 H new ATOM 0 HG12 VAL A 95 3.284 -7.827 -25.352 1.00 21.24 H new ATOM 0 HG13 VAL A 95 4.540 -7.905 -24.093 1.00 21.24 H new ATOM 0 HG21 VAL A 95 4.181 -10.914 -23.513 1.00 71.41 H new ATOM 0 HG22 VAL A 95 4.312 -9.676 -22.241 1.00 71.41 H new ATOM 0 HG23 VAL A 95 2.906 -10.767 -22.280 1.00 71.41 H new ATOM 1521 N GLU A 96 1.450 -6.040 -23.748 1.00 35.13 N ATOM 1522 CA GLU A 96 0.708 -5.091 -24.569 1.00 74.03 C ATOM 1523 C GLU A 96 1.647 -4.069 -25.203 1.00 3.03 C ATOM 1524 O GLU A 96 1.207 -3.055 -25.741 1.00 55.44 O ATOM 1525 CB GLU A 96 -0.352 -4.374 -23.729 1.00 63.44 C ATOM 1526 CG GLU A 96 -1.481 -5.281 -23.271 1.00 74.44 C ATOM 1527 CD GLU A 96 -2.628 -4.513 -22.644 1.00 34.31 C ATOM 1528 OE1 GLU A 96 -2.368 -3.696 -21.736 1.00 42.34 O ATOM 1529 OE2 GLU A 96 -3.786 -4.730 -23.059 1.00 42.34 O ATOM 0 H GLU A 96 2.130 -5.613 -23.119 1.00 35.13 H new ATOM 0 HA GLU A 96 0.214 -5.648 -25.365 1.00 74.03 H new ATOM 0 HB2 GLU A 96 0.127 -3.934 -22.854 1.00 63.44 H new ATOM 0 HB3 GLU A 96 -0.770 -3.553 -24.311 1.00 63.44 H new ATOM 0 HG2 GLU A 96 -1.853 -5.851 -24.123 1.00 74.44 H new ATOM 0 HG3 GLU A 96 -1.094 -6.001 -22.550 1.00 74.44 H new ATOM 1536 N GLY A 97 2.946 -4.345 -25.133 1.00 2.31 N ATOM 1537 CA GLY A 97 3.928 -3.440 -25.702 1.00 61.52 C ATOM 1538 C GLY A 97 4.932 -4.156 -26.585 1.00 13.42 C ATOM 1539 O GLY A 97 4.887 -5.378 -26.724 1.00 72.11 O ATOM 0 H GLY A 97 3.336 -5.179 -24.693 1.00 2.31 H new ATOM 0 HA2 GLY A 97 3.417 -2.674 -26.285 1.00 61.52 H new ATOM 0 HA3 GLY A 97 4.456 -2.929 -24.897 1.00 61.52 H new ATOM 1543 N PHE A 98 5.839 -3.392 -27.184 1.00 65.45 N ATOM 1544 CA PHE A 98 6.857 -3.960 -28.061 1.00 22.31 C ATOM 1545 C PHE A 98 8.172 -3.196 -27.935 1.00 13.22 C ATOM 1546 O PHE A 98 8.198 -2.056 -27.469 1.00 62.44 O ATOM 1547 CB PHE A 98 6.379 -3.938 -29.514 1.00 71.42 C ATOM 1548 CG PHE A 98 6.480 -5.271 -30.199 1.00 24.52 C ATOM 1549 CD1 PHE A 98 5.747 -6.356 -29.745 1.00 3.04 C ATOM 1550 CD2 PHE A 98 7.308 -5.440 -31.297 1.00 4.12 C ATOM 1551 CE1 PHE A 98 5.840 -7.584 -30.372 1.00 54.23 C ATOM 1552 CE2 PHE A 98 7.405 -6.665 -31.929 1.00 35.40 C ATOM 1553 CZ PHE A 98 6.668 -7.738 -31.467 1.00 22.45 C ATOM 0 H PHE A 98 5.890 -2.379 -27.079 1.00 65.45 H new ATOM 0 HA PHE A 98 7.027 -4.993 -27.757 1.00 22.31 H new ATOM 0 HB2 PHE A 98 5.343 -3.602 -29.542 1.00 71.42 H new ATOM 0 HB3 PHE A 98 6.966 -3.207 -30.070 1.00 71.42 H new ATOM 0 HD1 PHE A 98 5.096 -6.241 -28.891 1.00 3.04 H new ATOM 0 HD2 PHE A 98 7.885 -4.604 -31.664 1.00 4.12 H new ATOM 0 HE1 PHE A 98 5.266 -8.422 -30.006 1.00 54.23 H new ATOM 0 HE2 PHE A 98 8.056 -6.783 -32.783 1.00 35.40 H new ATOM 0 HZ PHE A 98 6.739 -8.696 -31.961 1.00 22.45 H new ATOM 1563 N VAL A 99 9.262 -3.832 -28.352 1.00 53.14 N ATOM 1564 CA VAL A 99 10.580 -3.213 -28.287 1.00 42.12 C ATOM 1565 C VAL A 99 11.582 -3.960 -29.161 1.00 32.04 C ATOM 1566 O VAL A 99 11.312 -5.069 -29.623 1.00 2.23 O ATOM 1567 CB VAL A 99 11.109 -3.169 -26.841 1.00 71.32 C ATOM 1568 CG1 VAL A 99 10.981 -1.766 -26.268 1.00 24.21 C ATOM 1569 CG2 VAL A 99 10.371 -4.178 -25.974 1.00 14.42 C ATOM 0 H VAL A 99 9.258 -4.776 -28.739 1.00 53.14 H new ATOM 0 HA VAL A 99 10.469 -2.194 -28.656 1.00 42.12 H new ATOM 0 HB VAL A 99 12.166 -3.436 -26.850 1.00 71.32 H new ATOM 0 HG11 VAL A 99 11.360 -1.754 -25.246 1.00 24.21 H new ATOM 0 HG12 VAL A 99 11.558 -1.070 -26.877 1.00 24.21 H new ATOM 0 HG13 VAL A 99 9.933 -1.466 -26.270 1.00 24.21 H new ATOM 0 HG21 VAL A 99 10.757 -4.134 -24.956 1.00 14.42 H new ATOM 0 HG22 VAL A 99 9.306 -3.944 -25.969 1.00 14.42 H new ATOM 0 HG23 VAL A 99 10.520 -5.180 -26.375 1.00 14.42 H new ATOM 1579 N ASP A 100 12.739 -3.346 -29.382 1.00 54.44 N ATOM 1580 CA ASP A 100 13.783 -3.953 -30.199 1.00 74.15 C ATOM 1581 C ASP A 100 15.123 -3.933 -29.472 1.00 1.24 C ATOM 1582 O ASP A 100 15.488 -2.935 -28.851 1.00 54.32 O ATOM 1583 CB ASP A 100 13.903 -3.221 -31.537 1.00 64.51 C ATOM 1584 CG ASP A 100 14.738 -1.960 -31.434 1.00 11.02 C ATOM 1585 OD1 ASP A 100 15.979 -2.074 -31.362 1.00 62.43 O ATOM 1586 OD2 ASP A 100 14.150 -0.858 -31.423 1.00 74.25 O ATOM 0 H ASP A 100 12.978 -2.428 -29.007 1.00 54.44 H new ATOM 0 HA ASP A 100 13.507 -4.991 -30.385 1.00 74.15 H new ATOM 0 HB2 ASP A 100 14.348 -3.889 -32.275 1.00 64.51 H new ATOM 0 HB3 ASP A 100 12.907 -2.965 -31.899 1.00 64.51 H new ATOM 1591 N GLU A 101 15.851 -5.042 -29.552 1.00 22.23 N ATOM 1592 CA GLU A 101 17.150 -5.151 -28.898 1.00 63.45 C ATOM 1593 C GLU A 101 18.267 -4.679 -29.825 1.00 53.14 C ATOM 1594 O GLU A 101 19.327 -5.299 -29.904 1.00 11.24 O ATOM 1595 CB GLU A 101 17.409 -6.596 -28.466 1.00 32.11 C ATOM 1596 CG GLU A 101 18.454 -6.726 -27.371 1.00 12.14 C ATOM 1597 CD GLU A 101 18.195 -5.793 -26.204 1.00 11.42 C ATOM 1598 OE1 GLU A 101 17.035 -5.722 -25.746 1.00 5.12 O ATOM 1599 OE2 GLU A 101 19.153 -5.133 -25.749 1.00 31.03 O ATOM 0 H GLU A 101 15.564 -5.877 -30.063 1.00 22.23 H new ATOM 0 HA GLU A 101 17.138 -4.512 -28.015 1.00 63.45 H new ATOM 0 HB2 GLU A 101 16.474 -7.035 -28.118 1.00 32.11 H new ATOM 0 HB3 GLU A 101 17.730 -7.174 -29.333 1.00 32.11 H new ATOM 0 HG2 GLU A 101 18.472 -7.755 -27.012 1.00 12.14 H new ATOM 0 HG3 GLU A 101 19.439 -6.516 -27.787 1.00 12.14 H new ATOM 1606 N ALA A 102 18.019 -3.577 -30.526 1.00 63.23 N ATOM 1607 CA ALA A 102 19.003 -3.020 -31.447 1.00 30.44 C ATOM 1608 C ALA A 102 18.673 -1.573 -31.793 1.00 53.51 C ATOM 1609 O ALA A 102 19.217 -1.013 -32.746 1.00 13.43 O ATOM 1610 CB ALA A 102 19.079 -3.863 -32.711 1.00 24.41 C ATOM 0 H ALA A 102 17.146 -3.053 -30.474 1.00 63.23 H new ATOM 0 HA ALA A 102 19.975 -3.035 -30.954 1.00 30.44 H new ATOM 0 HB1 ALA A 102 19.817 -3.436 -33.389 1.00 24.41 H new ATOM 0 HB2 ALA A 102 19.370 -4.881 -32.452 1.00 24.41 H new ATOM 0 HB3 ALA A 102 18.104 -3.877 -33.198 1.00 24.41 H new