USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 1.51 K(o=3,f=-8!) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.274 K(o=3,f=-3.1!) USER MOD Set 1.3: A 84 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.0969 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.0667 X(o=0.16,f=0.09) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.767 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 74:sc= 0.365 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0829 F(o=-0.75,f=-0.083) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -0.0086 (180deg=-0.0895) USER MOD Single : A 24 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.025) USER MOD Single : A 25 ASN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 26 TYR OH : rot 110:sc= -0.157 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 48:sc= 0.306 USER MOD Single : A 36 SER OG : rot -32:sc= 0.587 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 120:sc= 0.81 USER MOD Single : A 47 MET CE :methyl -172:sc= -0.426 (180deg=-0.732) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= 1.24 (180deg=-0.0975) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.077) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.224 K(o=-0.22,f=-3!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.357 F(o=-2.4,f=-0.36) USER MOD Single : A 71 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0.569 (180deg=0.514) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 41:sc= 0.53 USER MOD Single : A 92 THR OG1 : rot 85:sc= 0.575 USER MOD Single : A 93 GLN : amide:sc= -0.0716 X(o=-0.072,f=-0.38) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -78:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.604 2.662 12.640 1.00 61.15 N ATOM 21 CA GLY A 2 4.817 2.687 11.196 1.00 73.54 C ATOM 22 C GLY A 2 3.743 3.469 10.444 1.00 22.15 C ATOM 23 O GLY A 2 2.764 3.941 11.036 1.00 5.15 O ATOM 0 HA2 GLY A 2 5.792 3.127 10.986 1.00 73.54 H new ATOM 0 HA3 GLY A 2 4.842 1.664 10.821 1.00 73.54 H new ATOM 27 N LYS A 3 3.933 3.602 9.129 1.00 23.11 N ATOM 28 CA LYS A 3 2.998 4.317 8.249 1.00 1.21 C ATOM 29 C LYS A 3 2.987 3.626 6.884 1.00 13.42 C ATOM 30 O LYS A 3 4.029 3.502 6.263 1.00 31.25 O ATOM 31 CB LYS A 3 3.405 5.810 8.122 1.00 24.53 C ATOM 32 CG LYS A 3 2.396 6.680 7.338 1.00 12.35 C ATOM 33 CD LYS A 3 2.862 8.148 7.182 1.00 73.23 C ATOM 34 CE LYS A 3 1.894 8.998 6.338 1.00 50.21 C ATOM 35 NZ LYS A 3 2.384 10.399 6.170 1.00 73.01 N ATOM 0 H LYS A 3 4.741 3.217 8.641 1.00 23.11 H new ATOM 0 HA LYS A 3 1.994 4.291 8.672 1.00 1.21 H new ATOM 0 HB2 LYS A 3 3.527 6.227 9.121 1.00 24.53 H new ATOM 0 HB3 LYS A 3 4.376 5.869 7.631 1.00 24.53 H new ATOM 0 HG2 LYS A 3 2.240 6.246 6.350 1.00 12.35 H new ATOM 0 HG3 LYS A 3 1.434 6.662 7.849 1.00 12.35 H new ATOM 0 HD2 LYS A 3 2.966 8.598 8.169 1.00 73.23 H new ATOM 0 HD3 LYS A 3 3.849 8.163 6.719 1.00 73.23 H new ATOM 0 HE2 LYS A 3 1.767 8.538 5.358 1.00 50.21 H new ATOM 0 HE3 LYS A 3 0.913 9.011 6.814 1.00 50.21 H new ATOM 0 HZ1 LYS A 3 1.704 10.938 5.596 1.00 73.01 H new ATOM 0 HZ2 LYS A 3 2.481 10.847 7.103 1.00 73.01 H new ATOM 0 HZ3 LYS A 3 3.308 10.389 5.693 1.00 73.01 H new ATOM 49 N VAL A 4 1.804 3.165 6.441 1.00 62.34 N ATOM 50 CA VAL A 4 1.638 2.441 5.160 1.00 34.32 C ATOM 51 C VAL A 4 1.179 3.403 4.043 1.00 70.41 C ATOM 52 O VAL A 4 0.485 4.377 4.314 1.00 65.04 O ATOM 53 CB VAL A 4 0.576 1.284 5.298 1.00 72.25 C ATOM 54 CG1 VAL A 4 0.464 0.456 3.997 1.00 70.31 C ATOM 55 CG2 VAL A 4 0.887 0.373 6.504 1.00 21.03 C ATOM 0 H VAL A 4 0.933 3.282 6.959 1.00 62.34 H new ATOM 0 HA VAL A 4 2.607 2.014 4.901 1.00 34.32 H new ATOM 0 HB VAL A 4 -0.390 1.756 5.475 1.00 72.25 H new ATOM 0 HG11 VAL A 4 -0.277 -0.332 4.130 1.00 70.31 H new ATOM 0 HG12 VAL A 4 0.159 1.106 3.177 1.00 70.31 H new ATOM 0 HG13 VAL A 4 1.431 0.009 3.766 1.00 70.31 H new ATOM 0 HG21 VAL A 4 0.135 -0.414 6.569 1.00 21.03 H new ATOM 0 HG22 VAL A 4 1.872 -0.076 6.376 1.00 21.03 H new ATOM 0 HG23 VAL A 4 0.874 0.964 7.420 1.00 21.03 H new ATOM 65 N LEU A 5 1.606 3.144 2.801 1.00 30.20 N ATOM 66 CA LEU A 5 1.051 3.785 1.606 1.00 41.44 C ATOM 67 C LEU A 5 0.162 2.763 0.886 1.00 31.33 C ATOM 68 O LEU A 5 0.663 1.802 0.291 1.00 53.21 O ATOM 69 CB LEU A 5 2.182 4.277 0.671 1.00 5.54 C ATOM 70 CG LEU A 5 1.719 4.981 -0.645 1.00 4.35 C ATOM 71 CD1 LEU A 5 0.852 6.211 -0.348 1.00 75.33 C ATOM 72 CD2 LEU A 5 2.917 5.351 -1.527 1.00 43.24 C ATOM 0 H LEU A 5 2.352 2.479 2.597 1.00 30.20 H new ATOM 0 HA LEU A 5 0.463 4.657 1.892 1.00 41.44 H new ATOM 0 HB2 LEU A 5 2.813 4.969 1.228 1.00 5.54 H new ATOM 0 HB3 LEU A 5 2.804 3.423 0.404 1.00 5.54 H new ATOM 0 HG LEU A 5 1.104 4.270 -1.197 1.00 4.35 H new ATOM 0 HD11 LEU A 5 0.547 6.676 -1.285 1.00 75.33 H new ATOM 0 HD12 LEU A 5 -0.033 5.906 0.210 1.00 75.33 H new ATOM 0 HD13 LEU A 5 1.425 6.926 0.243 1.00 75.33 H new ATOM 0 HD21 LEU A 5 2.563 5.839 -2.435 1.00 43.24 H new ATOM 0 HD22 LEU A 5 3.574 6.030 -0.983 1.00 43.24 H new ATOM 0 HD23 LEU A 5 3.467 4.448 -1.791 1.00 43.24 H new ATOM 84 N LEU A 6 -1.153 2.958 0.969 1.00 5.10 N ATOM 85 CA LEU A 6 -2.138 2.036 0.402 1.00 13.40 C ATOM 86 C LEU A 6 -2.395 2.432 -1.066 1.00 71.02 C ATOM 87 O LEU A 6 -3.193 3.336 -1.345 1.00 73.02 O ATOM 88 CB LEU A 6 -3.443 2.093 1.241 1.00 64.14 C ATOM 89 CG LEU A 6 -4.520 1.006 0.925 1.00 32.44 C ATOM 90 CD1 LEU A 6 -4.049 -0.394 1.370 1.00 60.25 C ATOM 91 CD2 LEU A 6 -5.876 1.376 1.554 1.00 53.34 C ATOM 0 H LEU A 6 -1.568 3.765 1.434 1.00 5.10 H new ATOM 0 HA LEU A 6 -1.767 1.011 0.429 1.00 13.40 H new ATOM 0 HB2 LEU A 6 -3.176 2.013 2.295 1.00 64.14 H new ATOM 0 HB3 LEU A 6 -3.897 3.074 1.101 1.00 64.14 H new ATOM 0 HG LEU A 6 -4.657 0.972 -0.156 1.00 32.44 H new ATOM 0 HD11 LEU A 6 -4.820 -1.128 1.137 1.00 60.25 H new ATOM 0 HD12 LEU A 6 -3.130 -0.653 0.844 1.00 60.25 H new ATOM 0 HD13 LEU A 6 -3.864 -0.391 2.444 1.00 60.25 H new ATOM 0 HD21 LEU A 6 -6.609 0.604 1.320 1.00 53.34 H new ATOM 0 HD22 LEU A 6 -5.766 1.455 2.636 1.00 53.34 H new ATOM 0 HD23 LEU A 6 -6.215 2.331 1.153 1.00 53.34 H new ATOM 103 N VAL A 7 -1.688 1.766 -1.996 1.00 63.51 N ATOM 104 CA VAL A 7 -1.736 2.098 -3.431 1.00 74.23 C ATOM 105 C VAL A 7 -2.897 1.340 -4.101 1.00 24.43 C ATOM 106 O VAL A 7 -2.839 0.120 -4.307 1.00 61.33 O ATOM 107 CB VAL A 7 -0.376 1.753 -4.153 1.00 14.35 C ATOM 108 CG1 VAL A 7 -0.425 2.094 -5.663 1.00 5.11 C ATOM 109 CG2 VAL A 7 0.805 2.467 -3.464 1.00 41.55 C ATOM 0 H VAL A 7 -1.070 0.985 -1.775 1.00 63.51 H new ATOM 0 HA VAL A 7 -1.897 3.172 -3.524 1.00 74.23 H new ATOM 0 HB VAL A 7 -0.223 0.677 -4.069 1.00 14.35 H new ATOM 0 HG11 VAL A 7 0.530 1.842 -6.124 1.00 5.11 H new ATOM 0 HG12 VAL A 7 -1.221 1.521 -6.140 1.00 5.11 H new ATOM 0 HG13 VAL A 7 -0.619 3.159 -5.789 1.00 5.11 H new ATOM 0 HG21 VAL A 7 1.733 2.215 -3.978 1.00 41.55 H new ATOM 0 HG22 VAL A 7 0.650 3.545 -3.502 1.00 41.55 H new ATOM 0 HG23 VAL A 7 0.868 2.146 -2.424 1.00 41.55 H new ATOM 119 N ILE A 8 -3.962 2.094 -4.387 1.00 24.12 N ATOM 120 CA ILE A 8 -5.182 1.621 -5.058 1.00 12.44 C ATOM 121 C ILE A 8 -5.248 2.239 -6.467 1.00 4.14 C ATOM 122 O ILE A 8 -4.880 3.405 -6.653 1.00 54.33 O ATOM 123 CB ILE A 8 -6.461 2.055 -4.248 1.00 71.13 C ATOM 124 CG1 ILE A 8 -6.318 1.663 -2.749 1.00 13.11 C ATOM 125 CG2 ILE A 8 -7.762 1.463 -4.855 1.00 3.20 C ATOM 126 CD1 ILE A 8 -7.428 2.175 -1.862 1.00 32.24 C ATOM 0 H ILE A 8 -4.003 3.085 -4.151 1.00 24.12 H new ATOM 0 HA ILE A 8 -5.154 0.533 -5.119 1.00 12.44 H new ATOM 0 HB ILE A 8 -6.540 3.140 -4.317 1.00 71.13 H new ATOM 0 HG12 ILE A 8 -6.280 0.576 -2.672 1.00 13.11 H new ATOM 0 HG13 ILE A 8 -5.367 2.043 -2.376 1.00 13.11 H new ATOM 0 HG21 ILE A 8 -8.619 1.788 -4.265 1.00 3.20 H new ATOM 0 HG22 ILE A 8 -7.875 1.811 -5.882 1.00 3.20 H new ATOM 0 HG23 ILE A 8 -7.706 0.374 -4.845 1.00 3.20 H new ATOM 0 HD11 ILE A 8 -7.249 1.856 -0.835 1.00 32.24 H new ATOM 0 HD12 ILE A 8 -7.455 3.264 -1.905 1.00 32.24 H new ATOM 0 HD13 ILE A 8 -8.382 1.775 -2.205 1.00 32.24 H new ATOM 138 N SER A 9 -5.721 1.461 -7.445 1.00 11.43 N ATOM 139 CA SER A 9 -5.933 1.936 -8.816 1.00 32.31 C ATOM 140 C SER A 9 -7.031 1.095 -9.471 1.00 74.44 C ATOM 141 O SER A 9 -7.147 -0.104 -9.200 1.00 0.25 O ATOM 142 CB SER A 9 -4.620 1.842 -9.633 1.00 12.51 C ATOM 143 OG SER A 9 -4.759 2.358 -10.947 1.00 24.30 O ATOM 0 H SER A 9 -5.968 0.481 -7.308 1.00 11.43 H new ATOM 0 HA SER A 9 -6.240 2.982 -8.793 1.00 32.31 H new ATOM 0 HB2 SER A 9 -3.833 2.388 -9.113 1.00 12.51 H new ATOM 0 HB3 SER A 9 -4.303 0.800 -9.687 1.00 12.51 H new ATOM 0 HG SER A 9 -3.905 2.278 -11.422 1.00 24.30 H new ATOM 149 N THR A 10 -7.837 1.747 -10.324 1.00 22.55 N ATOM 150 CA THR A 10 -8.840 1.079 -11.167 1.00 22.04 C ATOM 151 C THR A 10 -8.137 0.150 -12.195 1.00 51.23 C ATOM 152 O THR A 10 -8.710 -0.837 -12.669 1.00 44.11 O ATOM 153 CB THR A 10 -9.711 2.149 -11.908 1.00 33.44 C ATOM 154 OG1 THR A 10 -10.126 3.161 -10.974 1.00 43.50 O ATOM 155 CG2 THR A 10 -10.960 1.552 -12.584 1.00 55.22 C ATOM 0 H THR A 10 -7.810 2.759 -10.449 1.00 22.55 H new ATOM 0 HA THR A 10 -9.490 0.473 -10.536 1.00 22.04 H new ATOM 0 HB THR A 10 -9.086 2.571 -12.695 1.00 33.44 H new ATOM 0 HG1 THR A 10 -10.670 3.831 -11.438 1.00 43.50 H new ATOM 0 HG21 THR A 10 -11.520 2.345 -13.079 1.00 55.22 H new ATOM 0 HG22 THR A 10 -10.655 0.809 -13.321 1.00 55.22 H new ATOM 0 HG23 THR A 10 -11.590 1.079 -11.831 1.00 55.22 H new ATOM 163 N ASP A 11 -6.869 0.484 -12.504 1.00 24.35 N ATOM 164 CA ASP A 11 -6.025 -0.284 -13.420 1.00 32.42 C ATOM 165 C ASP A 11 -5.026 -1.110 -12.597 1.00 55.41 C ATOM 166 O ASP A 11 -3.959 -0.618 -12.212 1.00 62.41 O ATOM 167 CB ASP A 11 -5.270 0.648 -14.393 1.00 22.44 C ATOM 168 CG ASP A 11 -6.183 1.530 -15.251 1.00 52.42 C ATOM 169 OD1 ASP A 11 -6.626 1.081 -16.330 1.00 65.04 O ATOM 170 OD2 ASP A 11 -6.473 2.676 -14.852 1.00 60.15 O ATOM 0 H ASP A 11 -6.403 1.305 -12.117 1.00 24.35 H new ATOM 0 HA ASP A 11 -6.655 -0.945 -14.016 1.00 32.42 H new ATOM 0 HB2 ASP A 11 -4.600 1.288 -13.819 1.00 22.44 H new ATOM 0 HB3 ASP A 11 -4.647 0.041 -15.050 1.00 22.44 H new ATOM 175 N THR A 12 -5.392 -2.367 -12.312 1.00 51.22 N ATOM 176 CA THR A 12 -4.527 -3.310 -11.576 1.00 2.41 C ATOM 177 C THR A 12 -3.295 -3.713 -12.442 1.00 62.52 C ATOM 178 O THR A 12 -2.286 -4.215 -11.927 1.00 40.51 O ATOM 179 CB THR A 12 -5.371 -4.546 -11.107 1.00 3.30 C ATOM 180 OG1 THR A 12 -6.564 -4.070 -10.448 1.00 33.33 O ATOM 181 CG2 THR A 12 -4.612 -5.447 -10.122 1.00 14.13 C ATOM 0 H THR A 12 -6.293 -2.762 -12.583 1.00 51.22 H new ATOM 0 HA THR A 12 -4.132 -2.827 -10.682 1.00 2.41 H new ATOM 0 HB THR A 12 -5.600 -5.136 -11.995 1.00 3.30 H new ATOM 0 HG1 THR A 12 -7.101 -4.834 -10.152 1.00 33.33 H new ATOM 0 HG21 THR A 12 -5.246 -6.285 -9.833 1.00 14.13 H new ATOM 0 HG22 THR A 12 -3.707 -5.824 -10.597 1.00 14.13 H new ATOM 0 HG23 THR A 12 -4.344 -4.872 -9.236 1.00 14.13 H new ATOM 189 N ASN A 13 -3.395 -3.438 -13.760 1.00 24.30 N ATOM 190 CA ASN A 13 -2.268 -3.513 -14.713 1.00 2.14 C ATOM 191 C ASN A 13 -1.203 -2.438 -14.393 1.00 25.11 C ATOM 192 O ASN A 13 -0.003 -2.694 -14.506 1.00 72.12 O ATOM 193 CB ASN A 13 -2.777 -3.325 -16.173 1.00 64.24 C ATOM 194 CG ASN A 13 -3.704 -4.445 -16.676 1.00 13.03 C ATOM 195 OD1 ASN A 13 -4.392 -5.117 -15.902 1.00 55.35 O ATOM 196 ND2 ASN A 13 -3.752 -4.641 -17.982 1.00 63.53 N ATOM 0 H ASN A 13 -4.272 -3.154 -14.197 1.00 24.30 H new ATOM 0 HA ASN A 13 -1.812 -4.498 -14.616 1.00 2.14 H new ATOM 0 HB2 ASN A 13 -3.307 -2.375 -16.240 1.00 64.24 H new ATOM 0 HB3 ASN A 13 -1.916 -3.257 -16.838 1.00 64.24 H new ATOM 0 HD21 ASN A 13 -4.366 -5.359 -18.368 1.00 63.53 H new ATOM 0 HD22 ASN A 13 -3.175 -4.075 -18.604 1.00 63.53 H new ATOM 203 N ILE A 14 -1.655 -1.228 -13.987 1.00 73.01 N ATOM 204 CA ILE A 14 -0.753 -0.123 -13.592 1.00 31.42 C ATOM 205 C ILE A 14 -0.093 -0.459 -12.233 1.00 21.24 C ATOM 206 O ILE A 14 1.103 -0.225 -12.044 1.00 63.11 O ATOM 207 CB ILE A 14 -1.531 1.248 -13.524 1.00 62.41 C ATOM 208 CG1 ILE A 14 -2.059 1.683 -14.934 1.00 71.45 C ATOM 209 CG2 ILE A 14 -0.690 2.369 -12.892 1.00 45.41 C ATOM 210 CD1 ILE A 14 -1.006 1.976 -15.986 1.00 61.14 C ATOM 0 H ILE A 14 -2.646 -0.993 -13.925 1.00 73.01 H new ATOM 0 HA ILE A 14 0.026 -0.014 -14.346 1.00 31.42 H new ATOM 0 HB ILE A 14 -2.390 1.080 -12.875 1.00 62.41 H new ATOM 0 HG12 ILE A 14 -2.711 0.896 -15.313 1.00 71.45 H new ATOM 0 HG13 ILE A 14 -2.674 2.574 -14.809 1.00 71.45 H new ATOM 0 HG21 ILE A 14 -1.271 3.291 -12.869 1.00 45.41 H new ATOM 0 HG22 ILE A 14 -0.414 2.088 -11.875 1.00 45.41 H new ATOM 0 HG23 ILE A 14 0.213 2.524 -13.483 1.00 45.41 H new ATOM 0 HD11 ILE A 14 -1.493 2.266 -16.917 1.00 61.14 H new ATOM 0 HD12 ILE A 14 -0.365 2.788 -15.643 1.00 61.14 H new ATOM 0 HD13 ILE A 14 -0.402 1.084 -16.155 1.00 61.14 H new ATOM 222 N ILE A 15 -0.890 -1.064 -11.326 1.00 53.24 N ATOM 223 CA ILE A 15 -0.415 -1.556 -10.013 1.00 45.31 C ATOM 224 C ILE A 15 0.710 -2.597 -10.212 1.00 13.00 C ATOM 225 O ILE A 15 1.701 -2.579 -9.490 1.00 50.20 O ATOM 226 CB ILE A 15 -1.614 -2.166 -9.178 1.00 22.10 C ATOM 227 CG1 ILE A 15 -2.626 -1.042 -8.800 1.00 34.10 C ATOM 228 CG2 ILE A 15 -1.144 -2.938 -7.921 1.00 75.52 C ATOM 229 CD1 ILE A 15 -3.860 -1.510 -8.042 1.00 21.51 C ATOM 0 H ILE A 15 -1.885 -1.226 -11.484 1.00 53.24 H new ATOM 0 HA ILE A 15 -0.010 -0.716 -9.448 1.00 45.31 H new ATOM 0 HB ILE A 15 -2.111 -2.899 -9.814 1.00 22.10 H new ATOM 0 HG12 ILE A 15 -2.108 -0.297 -8.195 1.00 34.10 H new ATOM 0 HG13 ILE A 15 -2.948 -0.543 -9.714 1.00 34.10 H new ATOM 0 HG21 ILE A 15 -2.011 -3.332 -7.391 1.00 75.52 H new ATOM 0 HG22 ILE A 15 -0.497 -3.762 -8.221 1.00 75.52 H new ATOM 0 HG23 ILE A 15 -0.593 -2.264 -7.265 1.00 75.52 H new ATOM 0 HD11 ILE A 15 -4.500 -0.655 -7.826 1.00 21.51 H new ATOM 0 HD12 ILE A 15 -4.409 -2.230 -8.649 1.00 21.51 H new ATOM 0 HD13 ILE A 15 -3.556 -1.981 -7.107 1.00 21.51 H new ATOM 241 N SER A 16 0.547 -3.450 -11.241 1.00 31.53 N ATOM 242 CA SER A 16 1.538 -4.467 -11.633 1.00 50.12 C ATOM 243 C SER A 16 2.880 -3.817 -12.048 1.00 73.25 C ATOM 244 O SER A 16 3.950 -4.238 -11.599 1.00 5.13 O ATOM 245 CB SER A 16 0.961 -5.309 -12.795 1.00 74.44 C ATOM 246 OG SER A 16 1.835 -6.355 -13.183 1.00 0.11 O ATOM 0 H SER A 16 -0.286 -3.451 -11.829 1.00 31.53 H new ATOM 0 HA SER A 16 1.741 -5.110 -10.777 1.00 50.12 H new ATOM 0 HB2 SER A 16 0.002 -5.732 -12.494 1.00 74.44 H new ATOM 0 HB3 SER A 16 0.770 -4.661 -13.651 1.00 74.44 H new ATOM 0 HG SER A 16 1.432 -6.863 -13.918 1.00 0.11 H new ATOM 252 N SER A 17 2.788 -2.779 -12.900 1.00 12.43 N ATOM 253 CA SER A 17 3.952 -2.051 -13.440 1.00 14.32 C ATOM 254 C SER A 17 4.754 -1.323 -12.332 1.00 4.32 C ATOM 255 O SER A 17 5.982 -1.435 -12.259 1.00 22.43 O ATOM 256 CB SER A 17 3.447 -1.050 -14.496 1.00 3.31 C ATOM 257 OG SER A 17 2.693 -1.711 -15.508 1.00 64.11 O ATOM 0 H SER A 17 1.895 -2.419 -13.236 1.00 12.43 H new ATOM 0 HA SER A 17 4.638 -2.767 -13.892 1.00 14.32 H new ATOM 0 HB2 SER A 17 2.830 -0.290 -14.016 1.00 3.31 H new ATOM 0 HB3 SER A 17 4.294 -0.534 -14.948 1.00 3.31 H new ATOM 0 HG SER A 17 1.818 -1.967 -15.149 1.00 64.11 H new ATOM 263 N VAL A 18 4.025 -0.611 -11.460 1.00 73.25 N ATOM 264 CA VAL A 18 4.610 0.212 -10.383 1.00 45.23 C ATOM 265 C VAL A 18 5.185 -0.678 -9.270 1.00 43.23 C ATOM 266 O VAL A 18 6.177 -0.324 -8.623 1.00 50.23 O ATOM 267 CB VAL A 18 3.542 1.204 -9.809 1.00 61.31 C ATOM 268 CG1 VAL A 18 4.104 2.050 -8.643 1.00 42.40 C ATOM 269 CG2 VAL A 18 2.996 2.105 -10.938 1.00 22.01 C ATOM 0 H VAL A 18 3.005 -0.588 -11.480 1.00 73.25 H new ATOM 0 HA VAL A 18 5.428 0.797 -10.803 1.00 45.23 H new ATOM 0 HB VAL A 18 2.721 0.614 -9.401 1.00 61.31 H new ATOM 0 HG11 VAL A 18 3.330 2.724 -8.276 1.00 42.40 H new ATOM 0 HG12 VAL A 18 4.424 1.391 -7.836 1.00 42.40 H new ATOM 0 HG13 VAL A 18 4.955 2.633 -8.994 1.00 42.40 H new ATOM 0 HG21 VAL A 18 2.254 2.791 -10.529 1.00 22.01 H new ATOM 0 HG22 VAL A 18 3.815 2.675 -11.377 1.00 22.01 H new ATOM 0 HG23 VAL A 18 2.533 1.486 -11.706 1.00 22.01 H new ATOM 279 N GLN A 19 4.551 -1.840 -9.079 1.00 61.12 N ATOM 280 CA GLN A 19 5.026 -2.884 -8.167 1.00 21.13 C ATOM 281 C GLN A 19 6.387 -3.415 -8.634 1.00 14.01 C ATOM 282 O GLN A 19 7.291 -3.587 -7.824 1.00 3.32 O ATOM 283 CB GLN A 19 3.973 -4.008 -8.098 1.00 4.42 C ATOM 284 CG GLN A 19 4.349 -5.231 -7.258 1.00 24.05 C ATOM 285 CD GLN A 19 3.227 -6.269 -7.173 1.00 62.04 C ATOM 286 OE1 GLN A 19 1.980 -5.811 -7.072 1.00 12.11 O flip ATOM 287 NE2 GLN A 19 3.479 -7.478 -7.135 1.00 32.44 N flip ATOM 0 H GLN A 19 3.685 -2.084 -9.559 1.00 61.12 H new ATOM 0 HA GLN A 19 5.162 -2.473 -7.167 1.00 21.13 H new ATOM 0 HB2 GLN A 19 3.049 -3.589 -7.700 1.00 4.42 H new ATOM 0 HB3 GLN A 19 3.760 -4.341 -9.114 1.00 4.42 H new ATOM 0 HG2 GLN A 19 5.237 -5.698 -7.684 1.00 24.05 H new ATOM 0 HG3 GLN A 19 4.612 -4.906 -6.251 1.00 24.05 H new ATOM 0 HE21 GLN A 19 4.443 -7.801 -7.215 1.00 32.44 H new ATOM 0 HE22 GLN A 19 2.723 -8.153 -7.024 1.00 32.44 H new ATOM 296 N GLU A 20 6.529 -3.625 -9.956 1.00 60.33 N ATOM 297 CA GLU A 20 7.801 -4.066 -10.557 1.00 32.12 C ATOM 298 C GLU A 20 8.899 -2.999 -10.410 1.00 54.45 C ATOM 299 O GLU A 20 10.058 -3.333 -10.175 1.00 2.23 O ATOM 300 CB GLU A 20 7.599 -4.448 -12.042 1.00 25.02 C ATOM 301 CG GLU A 20 6.879 -5.795 -12.251 1.00 34.53 C ATOM 302 CD GLU A 20 7.666 -6.993 -11.669 1.00 10.42 C ATOM 303 OE1 GLU A 20 8.597 -7.493 -12.346 1.00 23.21 O ATOM 304 OE2 GLU A 20 7.369 -7.432 -10.532 1.00 11.24 O ATOM 0 H GLU A 20 5.775 -3.496 -10.630 1.00 60.33 H new ATOM 0 HA GLU A 20 8.133 -4.951 -10.015 1.00 32.12 H new ATOM 0 HB2 GLU A 20 7.027 -3.662 -12.534 1.00 25.02 H new ATOM 0 HB3 GLU A 20 8.572 -4.488 -12.532 1.00 25.02 H new ATOM 0 HG2 GLU A 20 5.895 -5.752 -11.784 1.00 34.53 H new ATOM 0 HG3 GLU A 20 6.719 -5.955 -13.317 1.00 34.53 H new ATOM 311 N ARG A 21 8.519 -1.718 -10.536 1.00 71.41 N ATOM 312 CA ARG A 21 9.452 -0.590 -10.336 1.00 21.21 C ATOM 313 C ARG A 21 9.966 -0.581 -8.885 1.00 34.23 C ATOM 314 O ARG A 21 11.172 -0.580 -8.638 1.00 10.23 O ATOM 315 CB ARG A 21 8.750 0.755 -10.663 1.00 25.21 C ATOM 316 CG ARG A 21 8.263 0.865 -12.120 1.00 74.23 C ATOM 317 CD ARG A 21 7.406 2.110 -12.379 1.00 51.14 C ATOM 318 NE ARG A 21 6.870 2.139 -13.750 1.00 23.22 N ATOM 319 CZ ARG A 21 6.265 3.190 -14.333 1.00 35.02 C ATOM 320 NH1 ARG A 21 6.103 4.344 -13.680 1.00 54.43 N ATOM 321 NH2 ARG A 21 5.813 3.072 -15.581 1.00 53.41 N ATOM 0 H ARG A 21 7.569 -1.433 -10.776 1.00 71.41 H new ATOM 0 HA ARG A 21 10.300 -0.713 -11.010 1.00 21.21 H new ATOM 0 HB2 ARG A 21 7.898 0.881 -9.995 1.00 25.21 H new ATOM 0 HB3 ARG A 21 9.440 1.573 -10.458 1.00 25.21 H new ATOM 0 HG2 ARG A 21 9.127 0.882 -12.785 1.00 74.23 H new ATOM 0 HG3 ARG A 21 7.685 -0.024 -12.371 1.00 74.23 H new ATOM 0 HD2 ARG A 21 6.581 2.136 -11.667 1.00 51.14 H new ATOM 0 HD3 ARG A 21 8.005 3.004 -12.206 1.00 51.14 H new ATOM 0 HE ARG A 21 6.966 1.289 -14.306 1.00 23.22 H new ATOM 0 HH11 ARG A 21 6.441 4.440 -12.722 1.00 54.43 H new ATOM 0 HH12 ARG A 21 5.642 5.129 -14.139 1.00 54.43 H new ATOM 0 HH21 ARG A 21 5.927 2.192 -16.084 1.00 53.41 H new ATOM 0 HH22 ARG A 21 5.353 3.862 -16.033 1.00 53.41 H new ATOM 335 N ALA A 22 9.017 -0.645 -7.946 1.00 35.32 N ATOM 336 CA ALA A 22 9.285 -0.522 -6.507 1.00 5.04 C ATOM 337 C ALA A 22 10.112 -1.715 -5.976 1.00 1.23 C ATOM 338 O ALA A 22 11.008 -1.539 -5.150 1.00 1.24 O ATOM 339 CB ALA A 22 7.947 -0.378 -5.767 1.00 15.22 C ATOM 0 H ALA A 22 8.031 -0.785 -8.164 1.00 35.32 H new ATOM 0 HA ALA A 22 9.890 0.367 -6.327 1.00 5.04 H new ATOM 0 HB1 ALA A 22 8.131 -0.286 -4.697 1.00 15.22 H new ATOM 0 HB2 ALA A 22 7.428 0.511 -6.124 1.00 15.22 H new ATOM 0 HB3 ALA A 22 7.331 -1.257 -5.955 1.00 15.22 H new ATOM 345 N LYS A 23 9.812 -2.926 -6.478 1.00 3.35 N ATOM 346 CA LYS A 23 10.513 -4.164 -6.069 1.00 22.12 C ATOM 347 C LYS A 23 11.897 -4.319 -6.736 1.00 42.30 C ATOM 348 O LYS A 23 12.771 -4.971 -6.164 1.00 61.12 O ATOM 349 CB LYS A 23 9.634 -5.413 -6.358 1.00 71.34 C ATOM 350 CG LYS A 23 8.337 -5.473 -5.510 1.00 11.24 C ATOM 351 CD LYS A 23 7.436 -6.675 -5.868 1.00 51.33 C ATOM 352 CE LYS A 23 8.086 -8.035 -5.570 1.00 71.05 C ATOM 353 NZ LYS A 23 8.449 -8.183 -4.134 1.00 21.34 N ATOM 0 H LYS A 23 9.082 -3.078 -7.174 1.00 3.35 H new ATOM 0 HA LYS A 23 10.684 -4.083 -4.996 1.00 22.12 H new ATOM 0 HB2 LYS A 23 9.367 -5.422 -7.415 1.00 71.34 H new ATOM 0 HB3 LYS A 23 10.222 -6.311 -6.170 1.00 71.34 H new ATOM 0 HG2 LYS A 23 8.602 -5.527 -4.454 1.00 11.24 H new ATOM 0 HG3 LYS A 23 7.775 -4.550 -5.651 1.00 11.24 H new ATOM 0 HD2 LYS A 23 6.502 -6.598 -5.312 1.00 51.33 H new ATOM 0 HD3 LYS A 23 7.182 -6.626 -6.927 1.00 51.33 H new ATOM 0 HE2 LYS A 23 7.400 -8.833 -5.854 1.00 71.05 H new ATOM 0 HE3 LYS A 23 8.980 -8.150 -6.183 1.00 71.05 H new ATOM 0 HZ1 LYS A 23 8.741 -9.164 -3.949 1.00 21.34 H new ATOM 0 HZ2 LYS A 23 9.233 -7.539 -3.906 1.00 21.34 H new ATOM 0 HZ3 LYS A 23 7.626 -7.950 -3.542 1.00 21.34 H new ATOM 367 N HIS A 24 12.093 -3.765 -7.956 1.00 60.15 N ATOM 368 CA HIS A 24 13.404 -3.841 -8.661 1.00 33.13 C ATOM 369 C HIS A 24 14.354 -2.693 -8.247 1.00 20.11 C ATOM 370 O HIS A 24 15.572 -2.806 -8.427 1.00 54.34 O ATOM 371 CB HIS A 24 13.217 -3.844 -10.211 1.00 55.14 C ATOM 372 CG HIS A 24 12.560 -5.087 -10.786 1.00 43.11 C ATOM 373 ND1 HIS A 24 12.738 -5.485 -12.094 1.00 4.05 N ATOM 374 CD2 HIS A 24 11.690 -5.987 -10.250 1.00 3.01 C ATOM 375 CE1 HIS A 24 12.014 -6.559 -12.334 1.00 55.44 C ATOM 376 NE2 HIS A 24 11.370 -6.885 -11.237 1.00 43.42 N ATOM 0 H HIS A 24 11.370 -3.264 -8.472 1.00 60.15 H new ATOM 0 HA HIS A 24 13.862 -4.783 -8.361 1.00 33.13 H new ATOM 0 HB2 HIS A 24 12.619 -2.976 -10.489 1.00 55.14 H new ATOM 0 HB3 HIS A 24 14.194 -3.721 -10.678 1.00 55.14 H new ATOM 0 HD2 HIS A 24 11.320 -5.993 -9.235 1.00 3.01 H new ATOM 0 HE1 HIS A 24 11.959 -7.084 -13.276 1.00 55.44 H new ATOM 0 HE2 HIS A 24 10.735 -7.677 -11.135 1.00 43.42 H new ATOM 385 N ASN A 25 13.804 -1.584 -7.713 1.00 44.22 N ATOM 386 CA ASN A 25 14.614 -0.404 -7.284 1.00 35.41 C ATOM 387 C ASN A 25 14.863 -0.403 -5.761 1.00 4.32 C ATOM 388 O ASN A 25 15.829 0.207 -5.285 1.00 52.42 O ATOM 389 CB ASN A 25 13.942 0.921 -7.745 1.00 12.05 C ATOM 390 CG ASN A 25 14.192 1.228 -9.231 1.00 64.12 C ATOM 391 OD1 ASN A 25 15.185 1.867 -9.587 1.00 5.43 O ATOM 392 ND2 ASN A 25 13.308 0.777 -10.105 1.00 21.22 N ATOM 0 H ASN A 25 12.801 -1.472 -7.564 1.00 44.22 H new ATOM 0 HA ASN A 25 15.588 -0.479 -7.767 1.00 35.41 H new ATOM 0 HB2 ASN A 25 12.868 0.860 -7.566 1.00 12.05 H new ATOM 0 HB3 ASN A 25 14.320 1.745 -7.140 1.00 12.05 H new ATOM 0 HD21 ASN A 25 13.439 0.955 -11.101 1.00 21.22 H new ATOM 0 HD22 ASN A 25 12.495 0.251 -9.783 1.00 21.22 H new ATOM 399 N TYR A 26 13.983 -1.072 -5.004 1.00 31.30 N ATOM 400 CA TYR A 26 14.151 -1.279 -3.548 1.00 54.34 C ATOM 401 C TYR A 26 14.313 -2.788 -3.271 1.00 11.32 C ATOM 402 O TYR A 26 14.048 -3.592 -4.164 1.00 65.01 O ATOM 403 CB TYR A 26 12.923 -0.686 -2.796 1.00 60.30 C ATOM 404 CG TYR A 26 12.787 0.827 -2.984 1.00 64.51 C ATOM 405 CD1 TYR A 26 13.681 1.701 -2.359 1.00 1.22 C ATOM 406 CD2 TYR A 26 11.799 1.383 -3.806 1.00 53.34 C ATOM 407 CE1 TYR A 26 13.598 3.063 -2.550 1.00 61.33 C ATOM 408 CE2 TYR A 26 11.710 2.749 -3.991 1.00 44.42 C ATOM 409 CZ TYR A 26 12.616 3.581 -3.362 1.00 73.23 C ATOM 410 OH TYR A 26 12.557 4.937 -3.558 1.00 44.33 O ATOM 0 H TYR A 26 13.131 -1.488 -5.379 1.00 31.30 H new ATOM 0 HA TYR A 26 15.043 -0.767 -3.188 1.00 54.34 H new ATOM 0 HB2 TYR A 26 12.015 -1.175 -3.150 1.00 60.30 H new ATOM 0 HB3 TYR A 26 13.011 -0.909 -1.733 1.00 60.30 H new ATOM 0 HD1 TYR A 26 14.450 1.302 -1.715 1.00 1.22 H new ATOM 0 HD2 TYR A 26 11.095 0.733 -4.304 1.00 53.34 H new ATOM 0 HE1 TYR A 26 14.302 3.722 -2.064 1.00 61.33 H new ATOM 0 HE2 TYR A 26 10.938 3.163 -4.623 1.00 44.42 H new ATOM 0 HH TYR A 26 12.820 5.146 -4.479 1.00 44.33 H new ATOM 420 N PRO A 27 14.754 -3.219 -2.043 1.00 1.22 N ATOM 421 CA PRO A 27 14.822 -4.668 -1.684 1.00 34.13 C ATOM 422 C PRO A 27 13.442 -5.301 -1.376 1.00 13.21 C ATOM 423 O PRO A 27 13.379 -6.314 -0.669 1.00 13.14 O ATOM 424 CB PRO A 27 15.722 -4.660 -0.422 1.00 21.25 C ATOM 425 CG PRO A 27 15.458 -3.331 0.220 1.00 30.33 C ATOM 426 CD PRO A 27 15.282 -2.356 -0.932 1.00 25.10 C ATOM 0 HA PRO A 27 15.201 -5.272 -2.508 1.00 34.13 H new ATOM 0 HB2 PRO A 27 15.472 -5.482 0.249 1.00 21.25 H new ATOM 0 HB3 PRO A 27 16.774 -4.772 -0.684 1.00 21.25 H new ATOM 0 HG2 PRO A 27 14.566 -3.367 0.845 1.00 30.33 H new ATOM 0 HG3 PRO A 27 16.286 -3.034 0.864 1.00 30.33 H new ATOM 0 HD2 PRO A 27 14.585 -1.557 -0.679 1.00 25.10 H new ATOM 0 HD3 PRO A 27 16.225 -1.882 -1.205 1.00 25.10 H new ATOM 434 N GLY A 28 12.352 -4.737 -1.956 1.00 31.54 N ATOM 435 CA GLY A 28 10.986 -5.086 -1.561 1.00 70.13 C ATOM 436 C GLY A 28 10.736 -4.680 -0.109 1.00 35.32 C ATOM 437 O GLY A 28 11.039 -3.532 0.247 1.00 14.54 O ATOM 0 H GLY A 28 12.405 -4.039 -2.698 1.00 31.54 H new ATOM 0 HA2 GLY A 28 10.272 -4.585 -2.214 1.00 70.13 H new ATOM 0 HA3 GLY A 28 10.828 -6.158 -1.679 1.00 70.13 H new ATOM 441 N ARG A 29 10.196 -5.624 0.703 1.00 52.21 N ATOM 442 CA ARG A 29 10.075 -5.530 2.187 1.00 21.21 C ATOM 443 C ARG A 29 9.162 -4.363 2.627 1.00 45.13 C ATOM 444 O ARG A 29 8.023 -4.577 3.079 1.00 41.12 O ATOM 445 CB ARG A 29 11.496 -5.454 2.842 1.00 1.10 C ATOM 446 CG ARG A 29 12.425 -6.631 2.449 1.00 32.31 C ATOM 447 CD ARG A 29 13.883 -6.471 2.942 1.00 3.35 C ATOM 448 NE ARG A 29 14.785 -7.400 2.235 1.00 21.44 N ATOM 449 CZ ARG A 29 15.904 -7.956 2.730 1.00 74.25 C ATOM 450 NH1 ARG A 29 16.312 -7.702 3.969 1.00 4.41 N ATOM 451 NH2 ARG A 29 16.620 -8.768 1.959 1.00 62.13 N ATOM 0 H ARG A 29 9.821 -6.499 0.336 1.00 52.21 H new ATOM 0 HA ARG A 29 9.588 -6.437 2.545 1.00 21.21 H new ATOM 0 HB2 ARG A 29 11.970 -4.516 2.553 1.00 1.10 H new ATOM 0 HB3 ARG A 29 11.386 -5.435 3.926 1.00 1.10 H new ATOM 0 HG2 ARG A 29 12.014 -7.556 2.854 1.00 32.31 H new ATOM 0 HG3 ARG A 29 12.428 -6.732 1.364 1.00 32.31 H new ATOM 0 HD2 ARG A 29 14.214 -5.445 2.782 1.00 3.35 H new ATOM 0 HD3 ARG A 29 13.931 -6.658 4.015 1.00 3.35 H new ATOM 0 HE ARG A 29 14.535 -7.644 1.277 1.00 21.44 H new ATOM 0 HH11 ARG A 29 15.773 -7.074 4.565 1.00 4.41 H new ATOM 0 HH12 ARG A 29 17.164 -8.135 4.324 1.00 4.41 H new ATOM 0 HH21 ARG A 29 16.318 -8.962 1.004 1.00 62.13 H new ATOM 0 HH22 ARG A 29 17.471 -9.197 2.322 1.00 62.13 H new ATOM 465 N TYR A 30 9.685 -3.137 2.462 1.00 34.24 N ATOM 466 CA TYR A 30 8.912 -1.877 2.546 1.00 23.13 C ATOM 467 C TYR A 30 7.732 -1.883 1.561 1.00 14.01 C ATOM 468 O TYR A 30 6.748 -1.183 1.760 1.00 32.24 O ATOM 469 CB TYR A 30 9.839 -0.676 2.242 1.00 63.23 C ATOM 470 CG TYR A 30 10.976 -0.517 3.248 1.00 4.21 C ATOM 471 CD1 TYR A 30 10.743 0.068 4.488 1.00 43.20 C ATOM 472 CD2 TYR A 30 12.276 -0.940 2.959 1.00 43.21 C ATOM 473 CE1 TYR A 30 11.739 0.210 5.415 1.00 32.35 C ATOM 474 CE2 TYR A 30 13.285 -0.799 3.886 1.00 2.44 C ATOM 475 CZ TYR A 30 13.014 -0.215 5.109 1.00 30.31 C ATOM 476 OH TYR A 30 14.022 -0.070 6.033 1.00 24.25 O ATOM 0 H TYR A 30 10.674 -2.986 2.263 1.00 34.24 H new ATOM 0 HA TYR A 30 8.513 -1.788 3.556 1.00 23.13 H new ATOM 0 HB2 TYR A 30 10.261 -0.796 1.244 1.00 63.23 H new ATOM 0 HB3 TYR A 30 9.245 0.238 2.229 1.00 63.23 H new ATOM 0 HD1 TYR A 30 9.750 0.419 4.725 1.00 43.20 H new ATOM 0 HD2 TYR A 30 12.492 -1.383 1.998 1.00 43.21 H new ATOM 0 HE1 TYR A 30 11.528 0.651 6.378 1.00 32.35 H new ATOM 0 HE2 TYR A 30 14.283 -1.143 3.658 1.00 2.44 H new ATOM 0 HH TYR A 30 14.859 -0.420 5.662 1.00 24.25 H new ATOM 486 N ILE A 31 7.852 -2.686 0.499 1.00 35.01 N ATOM 487 CA ILE A 31 6.780 -2.909 -0.465 1.00 3.25 C ATOM 488 C ILE A 31 6.130 -4.271 -0.142 1.00 62.11 C ATOM 489 O ILE A 31 6.796 -5.320 -0.154 1.00 34.20 O ATOM 490 CB ILE A 31 7.312 -2.886 -1.953 1.00 41.23 C ATOM 491 CG1 ILE A 31 7.887 -1.479 -2.346 1.00 72.31 C ATOM 492 CG2 ILE A 31 6.203 -3.313 -2.948 1.00 24.43 C ATOM 493 CD1 ILE A 31 9.248 -1.121 -1.763 1.00 44.21 C ATOM 0 H ILE A 31 8.706 -3.202 0.286 1.00 35.01 H new ATOM 0 HA ILE A 31 6.049 -2.105 -0.385 1.00 3.25 H new ATOM 0 HB ILE A 31 8.128 -3.607 -2.012 1.00 41.23 H new ATOM 0 HG12 ILE A 31 7.956 -1.429 -3.433 1.00 72.31 H new ATOM 0 HG13 ILE A 31 7.171 -0.718 -2.036 1.00 72.31 H new ATOM 0 HG21 ILE A 31 6.597 -3.288 -3.964 1.00 24.43 H new ATOM 0 HG22 ILE A 31 5.872 -4.324 -2.712 1.00 24.43 H new ATOM 0 HG23 ILE A 31 5.359 -2.627 -2.869 1.00 24.43 H new ATOM 0 HD11 ILE A 31 9.540 -0.128 -2.104 1.00 44.21 H new ATOM 0 HD12 ILE A 31 9.191 -1.128 -0.675 1.00 44.21 H new ATOM 0 HD13 ILE A 31 9.988 -1.850 -2.092 1.00 44.21 H new ATOM 505 N ARG A 32 4.832 -4.225 0.151 1.00 71.54 N ATOM 506 CA ARG A 32 4.003 -5.382 0.510 1.00 2.13 C ATOM 507 C ARG A 32 2.826 -5.449 -0.482 1.00 61.44 C ATOM 508 O ARG A 32 2.423 -4.418 -1.028 1.00 60.40 O ATOM 509 CB ARG A 32 3.467 -5.180 1.955 1.00 41.34 C ATOM 510 CG ARG A 32 2.837 -6.433 2.610 1.00 32.11 C ATOM 511 CD ARG A 32 3.885 -7.380 3.212 1.00 30.35 C ATOM 512 NE ARG A 32 4.627 -6.731 4.321 1.00 75.34 N ATOM 513 CZ ARG A 32 4.630 -7.133 5.607 1.00 33.40 C ATOM 514 NH1 ARG A 32 3.934 -8.205 6.007 1.00 24.13 N ATOM 515 NH2 ARG A 32 5.323 -6.435 6.499 1.00 43.43 N ATOM 0 H ARG A 32 4.306 -3.351 0.146 1.00 71.54 H new ATOM 0 HA ARG A 32 4.578 -6.307 0.466 1.00 2.13 H new ATOM 0 HB2 ARG A 32 4.288 -4.836 2.584 1.00 41.34 H new ATOM 0 HB3 ARG A 32 2.722 -4.385 1.940 1.00 41.34 H new ATOM 0 HG2 ARG A 32 2.145 -6.120 3.392 1.00 32.11 H new ATOM 0 HG3 ARG A 32 2.252 -6.972 1.864 1.00 32.11 H new ATOM 0 HD2 ARG A 32 3.395 -8.282 3.579 1.00 30.35 H new ATOM 0 HD3 ARG A 32 4.585 -7.691 2.436 1.00 30.35 H new ATOM 0 HE ARG A 32 5.184 -5.908 4.089 1.00 75.34 H new ATOM 0 HH11 ARG A 32 3.385 -8.738 5.332 1.00 24.13 H new ATOM 0 HH12 ARG A 32 3.953 -8.489 6.987 1.00 24.13 H new ATOM 0 HH21 ARG A 32 5.843 -5.608 6.207 1.00 43.43 H new ATOM 0 HH22 ARG A 32 5.335 -6.726 7.476 1.00 43.43 H new ATOM 529 N THR A 33 2.300 -6.649 -0.748 1.00 23.44 N ATOM 530 CA THR A 33 1.076 -6.816 -1.562 1.00 42.25 C ATOM 531 C THR A 33 -0.041 -7.505 -0.757 1.00 21.33 C ATOM 532 O THR A 33 0.230 -8.359 0.096 1.00 62.40 O ATOM 533 CB THR A 33 1.385 -7.637 -2.855 1.00 3.01 C ATOM 534 OG1 THR A 33 1.978 -8.904 -2.510 1.00 62.14 O ATOM 535 CG2 THR A 33 2.325 -6.874 -3.801 1.00 74.01 C ATOM 0 H THR A 33 2.699 -7.526 -0.413 1.00 23.44 H new ATOM 0 HA THR A 33 0.730 -5.822 -1.846 1.00 42.25 H new ATOM 0 HB THR A 33 0.439 -7.800 -3.372 1.00 3.01 H new ATOM 0 HG1 THR A 33 2.166 -9.411 -3.328 1.00 62.14 H new ATOM 0 HG21 THR A 33 2.516 -7.477 -4.688 1.00 74.01 H new ATOM 0 HG22 THR A 33 1.860 -5.933 -4.095 1.00 74.01 H new ATOM 0 HG23 THR A 33 3.267 -6.670 -3.291 1.00 74.01 H new ATOM 543 N ALA A 34 -1.295 -7.099 -1.027 1.00 31.01 N ATOM 544 CA ALA A 34 -2.498 -7.736 -0.471 1.00 73.05 C ATOM 545 C ALA A 34 -3.486 -8.054 -1.601 1.00 73.31 C ATOM 546 O ALA A 34 -3.763 -7.191 -2.442 1.00 53.24 O ATOM 547 CB ALA A 34 -3.145 -6.815 0.571 1.00 62.01 C ATOM 0 H ALA A 34 -1.501 -6.312 -1.643 1.00 31.01 H new ATOM 0 HA ALA A 34 -2.219 -8.668 0.020 1.00 73.05 H new ATOM 0 HB1 ALA A 34 -4.035 -7.295 0.978 1.00 62.01 H new ATOM 0 HB2 ALA A 34 -2.436 -6.623 1.377 1.00 62.01 H new ATOM 0 HB3 ALA A 34 -3.424 -5.872 0.100 1.00 62.01 H new ATOM 553 N THR A 35 -4.014 -9.293 -1.624 1.00 44.24 N ATOM 554 CA THR A 35 -5.010 -9.702 -2.631 1.00 3.24 C ATOM 555 C THR A 35 -6.424 -9.790 -2.011 1.00 31.23 C ATOM 556 O THR A 35 -7.417 -9.897 -2.739 1.00 35.43 O ATOM 557 CB THR A 35 -4.601 -11.035 -3.363 1.00 62.42 C ATOM 558 OG1 THR A 35 -5.411 -11.219 -4.537 1.00 3.14 O ATOM 559 CG2 THR A 35 -4.724 -12.276 -2.464 1.00 55.10 C ATOM 0 H THR A 35 -3.768 -10.026 -0.958 1.00 44.24 H new ATOM 0 HA THR A 35 -5.036 -8.927 -3.397 1.00 3.24 H new ATOM 0 HB THR A 35 -3.550 -10.932 -3.634 1.00 62.42 H new ATOM 0 HG1 THR A 35 -5.434 -10.386 -5.052 1.00 3.14 H new ATOM 0 HG21 THR A 35 -4.428 -13.162 -3.025 1.00 55.10 H new ATOM 0 HG22 THR A 35 -4.074 -12.162 -1.596 1.00 55.10 H new ATOM 0 HG23 THR A 35 -5.757 -12.384 -2.132 1.00 55.10 H new ATOM 567 N SER A 36 -6.500 -9.703 -0.667 1.00 71.53 N ATOM 568 CA SER A 36 -7.768 -9.688 0.081 1.00 63.13 C ATOM 569 C SER A 36 -7.550 -9.107 1.493 1.00 12.53 C ATOM 570 O SER A 36 -6.411 -8.807 1.887 1.00 65.45 O ATOM 571 CB SER A 36 -8.364 -11.121 0.163 1.00 23.01 C ATOM 572 OG SER A 36 -7.535 -11.984 0.920 1.00 54.04 O ATOM 0 H SER A 36 -5.676 -9.641 -0.069 1.00 71.53 H new ATOM 0 HA SER A 36 -8.478 -9.051 -0.447 1.00 63.13 H new ATOM 0 HB2 SER A 36 -9.355 -11.079 0.614 1.00 23.01 H new ATOM 0 HB3 SER A 36 -8.488 -11.523 -0.843 1.00 23.01 H new ATOM 0 HG SER A 36 -6.598 -11.719 0.808 1.00 54.04 H new ATOM 578 N SER A 37 -8.661 -8.987 2.240 1.00 2.21 N ATOM 579 CA SER A 37 -8.668 -8.513 3.636 1.00 41.35 C ATOM 580 C SER A 37 -7.867 -9.445 4.557 1.00 3.42 C ATOM 581 O SER A 37 -7.364 -9.004 5.592 1.00 12.41 O ATOM 582 CB SER A 37 -10.114 -8.400 4.149 1.00 32.31 C ATOM 583 OG SER A 37 -10.795 -9.647 4.015 1.00 44.31 O ATOM 0 H SER A 37 -9.590 -9.219 1.888 1.00 2.21 H new ATOM 0 HA SER A 37 -8.193 -7.532 3.652 1.00 41.35 H new ATOM 0 HB2 SER A 37 -10.111 -8.092 5.195 1.00 32.31 H new ATOM 0 HB3 SER A 37 -10.644 -7.628 3.591 1.00 32.31 H new ATOM 0 HG SER A 37 -11.712 -9.556 4.348 1.00 44.31 H new ATOM 589 N GLN A 38 -7.773 -10.734 4.170 1.00 34.33 N ATOM 590 CA GLN A 38 -7.048 -11.756 4.940 1.00 43.11 C ATOM 591 C GLN A 38 -5.549 -11.415 5.010 1.00 40.41 C ATOM 592 O GLN A 38 -4.927 -11.506 6.075 1.00 50.24 O ATOM 593 CB GLN A 38 -7.254 -13.155 4.311 1.00 12.22 C ATOM 594 CG GLN A 38 -8.727 -13.572 4.125 1.00 11.23 C ATOM 595 CD GLN A 38 -9.558 -13.471 5.406 1.00 41.33 C ATOM 596 OE1 GLN A 38 -9.610 -14.401 6.213 1.00 23.31 O ATOM 597 NE2 GLN A 38 -10.245 -12.351 5.584 1.00 74.33 N ATOM 0 H GLN A 38 -8.199 -11.092 3.315 1.00 34.33 H new ATOM 0 HA GLN A 38 -7.447 -11.770 5.954 1.00 43.11 H new ATOM 0 HB2 GLN A 38 -6.760 -13.177 3.340 1.00 12.22 H new ATOM 0 HB3 GLN A 38 -6.758 -13.896 4.938 1.00 12.22 H new ATOM 0 HG2 GLN A 38 -9.180 -12.944 3.358 1.00 11.23 H new ATOM 0 HG3 GLN A 38 -8.762 -14.598 3.759 1.00 11.23 H new ATOM 0 HE21 GLN A 38 -10.181 -11.599 4.898 1.00 74.33 H new ATOM 0 HE22 GLN A 38 -10.837 -12.241 6.407 1.00 74.33 H new ATOM 606 N ASP A 39 -4.996 -11.007 3.850 1.00 71.41 N ATOM 607 CA ASP A 39 -3.592 -10.560 3.727 1.00 71.21 C ATOM 608 C ASP A 39 -3.416 -9.240 4.486 1.00 54.24 C ATOM 609 O ASP A 39 -2.504 -9.097 5.295 1.00 1.15 O ATOM 610 CB ASP A 39 -3.196 -10.350 2.236 1.00 54.35 C ATOM 611 CG ASP A 39 -3.586 -11.528 1.336 1.00 33.24 C ATOM 612 OD1 ASP A 39 -2.856 -12.539 1.300 1.00 31.15 O ATOM 613 OD2 ASP A 39 -4.644 -11.454 0.687 1.00 64.22 O ATOM 0 H ASP A 39 -5.511 -10.978 2.970 1.00 71.41 H new ATOM 0 HA ASP A 39 -2.947 -11.331 4.149 1.00 71.21 H new ATOM 0 HB2 ASP A 39 -3.674 -9.443 1.864 1.00 54.35 H new ATOM 0 HB3 ASP A 39 -2.119 -10.193 2.171 1.00 54.35 H new ATOM 618 N ILE A 40 -4.367 -8.318 4.231 1.00 70.34 N ATOM 619 CA ILE A 40 -4.383 -6.947 4.774 1.00 4.43 C ATOM 620 C ILE A 40 -4.220 -6.930 6.314 1.00 22.11 C ATOM 621 O ILE A 40 -3.282 -6.320 6.833 1.00 73.24 O ATOM 622 CB ILE A 40 -5.718 -6.213 4.330 1.00 63.44 C ATOM 623 CG1 ILE A 40 -5.636 -5.769 2.832 1.00 33.25 C ATOM 624 CG2 ILE A 40 -6.084 -5.033 5.247 1.00 33.42 C ATOM 625 CD1 ILE A 40 -6.881 -5.096 2.277 1.00 34.42 C ATOM 0 H ILE A 40 -5.165 -8.513 3.626 1.00 70.34 H new ATOM 0 HA ILE A 40 -3.528 -6.409 4.365 1.00 4.43 H new ATOM 0 HB ILE A 40 -6.526 -6.938 4.431 1.00 63.44 H new ATOM 0 HG12 ILE A 40 -4.795 -5.085 2.720 1.00 33.25 H new ATOM 0 HG13 ILE A 40 -5.417 -6.646 2.223 1.00 33.25 H new ATOM 0 HG21 ILE A 40 -7.006 -4.570 4.894 1.00 33.42 H new ATOM 0 HG22 ILE A 40 -6.226 -5.394 6.265 1.00 33.42 H new ATOM 0 HG23 ILE A 40 -5.280 -4.297 5.232 1.00 33.42 H new ATOM 0 HD11 ILE A 40 -6.716 -4.830 1.233 1.00 34.42 H new ATOM 0 HD12 ILE A 40 -7.727 -5.780 2.348 1.00 34.42 H new ATOM 0 HD13 ILE A 40 -7.094 -4.195 2.852 1.00 34.42 H new ATOM 637 N ARG A 41 -5.114 -7.645 7.021 1.00 71.11 N ATOM 638 CA ARG A 41 -5.134 -7.692 8.475 1.00 43.32 C ATOM 639 C ARG A 41 -3.816 -8.297 9.024 1.00 45.45 C ATOM 640 O ARG A 41 -3.275 -7.827 10.029 1.00 64.35 O ATOM 641 CB ARG A 41 -6.366 -8.501 8.921 1.00 75.11 C ATOM 642 CG ARG A 41 -6.691 -8.358 10.406 1.00 5.01 C ATOM 643 CD ARG A 41 -7.882 -9.218 10.843 1.00 12.33 C ATOM 644 NE ARG A 41 -9.059 -9.011 9.984 1.00 5.40 N ATOM 645 CZ ARG A 41 -10.183 -8.357 10.315 1.00 64.01 C ATOM 646 NH1 ARG A 41 -10.334 -7.811 11.524 1.00 24.32 N ATOM 647 NH2 ARG A 41 -11.144 -8.230 9.402 1.00 2.25 N ATOM 0 H ARG A 41 -5.845 -8.208 6.585 1.00 71.11 H new ATOM 0 HA ARG A 41 -5.207 -6.683 8.881 1.00 43.32 H new ATOM 0 HB2 ARG A 41 -7.229 -8.182 8.337 1.00 75.11 H new ATOM 0 HB3 ARG A 41 -6.199 -9.554 8.695 1.00 75.11 H new ATOM 0 HG2 ARG A 41 -5.815 -8.635 10.992 1.00 5.01 H new ATOM 0 HG3 ARG A 41 -6.905 -7.312 10.627 1.00 5.01 H new ATOM 0 HD2 ARG A 41 -7.597 -10.270 10.819 1.00 12.33 H new ATOM 0 HD3 ARG A 41 -8.141 -8.981 11.875 1.00 12.33 H new ATOM 0 HE ARG A 41 -9.016 -9.404 9.044 1.00 5.40 H new ATOM 0 HH11 ARG A 41 -9.587 -7.887 12.215 1.00 24.32 H new ATOM 0 HH12 ARG A 41 -11.196 -7.318 11.757 1.00 24.32 H new ATOM 0 HH21 ARG A 41 -11.018 -8.626 8.471 1.00 2.25 H new ATOM 0 HH22 ARG A 41 -12.006 -7.736 9.634 1.00 2.25 H new ATOM 661 N ASP A 42 -3.276 -9.294 8.296 1.00 32.43 N ATOM 662 CA ASP A 42 -1.999 -9.948 8.636 1.00 42.24 C ATOM 663 C ASP A 42 -0.809 -8.973 8.460 1.00 53.40 C ATOM 664 O ASP A 42 0.183 -9.054 9.198 1.00 74.33 O ATOM 665 CB ASP A 42 -1.805 -11.220 7.779 1.00 61.42 C ATOM 666 CG ASP A 42 -0.516 -11.987 8.134 1.00 42.32 C ATOM 667 OD1 ASP A 42 -0.466 -12.606 9.223 1.00 13.15 O ATOM 668 OD2 ASP A 42 0.446 -11.982 7.329 1.00 44.10 O ATOM 0 H ASP A 42 -3.714 -9.668 7.455 1.00 32.43 H new ATOM 0 HA ASP A 42 -2.032 -10.240 9.686 1.00 42.24 H new ATOM 0 HB2 ASP A 42 -2.663 -11.878 7.914 1.00 61.42 H new ATOM 0 HB3 ASP A 42 -1.779 -10.942 6.725 1.00 61.42 H new ATOM 673 N ILE A 43 -0.938 -8.030 7.502 1.00 44.23 N ATOM 674 CA ILE A 43 0.059 -6.962 7.275 1.00 74.55 C ATOM 675 C ILE A 43 0.098 -6.018 8.497 1.00 5.00 C ATOM 676 O ILE A 43 1.168 -5.589 8.928 1.00 65.41 O ATOM 677 CB ILE A 43 -0.277 -6.154 5.961 1.00 62.22 C ATOM 678 CG1 ILE A 43 -0.195 -7.069 4.700 1.00 62.15 C ATOM 679 CG2 ILE A 43 0.630 -4.921 5.801 1.00 53.13 C ATOM 680 CD1 ILE A 43 -0.723 -6.443 3.420 1.00 25.25 C ATOM 0 H ILE A 43 -1.734 -7.988 6.866 1.00 44.23 H new ATOM 0 HA ILE A 43 1.041 -7.418 7.147 1.00 74.55 H new ATOM 0 HB ILE A 43 -1.303 -5.797 6.057 1.00 62.22 H new ATOM 0 HG12 ILE A 43 0.845 -7.356 4.545 1.00 62.15 H new ATOM 0 HG13 ILE A 43 -0.753 -7.985 4.896 1.00 62.15 H new ATOM 0 HG21 ILE A 43 0.367 -4.392 4.885 1.00 53.13 H new ATOM 0 HG22 ILE A 43 0.495 -4.257 6.655 1.00 53.13 H new ATOM 0 HG23 ILE A 43 1.671 -5.239 5.750 1.00 53.13 H new ATOM 0 HD11 ILE A 43 -0.624 -7.154 2.600 1.00 25.25 H new ATOM 0 HD12 ILE A 43 -1.773 -6.182 3.549 1.00 25.25 H new ATOM 0 HD13 ILE A 43 -0.151 -5.544 3.192 1.00 25.25 H new ATOM 692 N ILE A 44 -1.089 -5.746 9.061 1.00 11.22 N ATOM 693 CA ILE A 44 -1.256 -4.881 10.242 1.00 22.41 C ATOM 694 C ILE A 44 -0.698 -5.576 11.518 1.00 11.22 C ATOM 695 O ILE A 44 -0.218 -4.901 12.431 1.00 24.12 O ATOM 696 CB ILE A 44 -2.770 -4.460 10.390 1.00 61.23 C ATOM 697 CG1 ILE A 44 -3.252 -3.762 9.069 1.00 64.02 C ATOM 698 CG2 ILE A 44 -2.996 -3.537 11.614 1.00 20.25 C ATOM 699 CD1 ILE A 44 -4.742 -3.477 8.989 1.00 2.12 C ATOM 0 H ILE A 44 -1.968 -6.123 8.708 1.00 11.22 H new ATOM 0 HA ILE A 44 -0.676 -3.968 10.109 1.00 22.41 H new ATOM 0 HB ILE A 44 -3.360 -5.361 10.559 1.00 61.23 H new ATOM 0 HG12 ILE A 44 -2.713 -2.821 8.958 1.00 64.02 H new ATOM 0 HG13 ILE A 44 -2.974 -4.391 8.223 1.00 64.02 H new ATOM 0 HG21 ILE A 44 -4.051 -3.271 11.679 1.00 20.25 H new ATOM 0 HG22 ILE A 44 -2.697 -4.058 12.523 1.00 20.25 H new ATOM 0 HG23 ILE A 44 -2.400 -2.632 11.502 1.00 20.25 H new ATOM 0 HD11 ILE A 44 -4.970 -2.995 8.038 1.00 2.12 H new ATOM 0 HD12 ILE A 44 -5.296 -4.413 9.063 1.00 2.12 H new ATOM 0 HD13 ILE A 44 -5.031 -2.819 9.808 1.00 2.12 H new ATOM 711 N LYS A 45 -0.715 -6.939 11.540 1.00 44.24 N ATOM 712 CA LYS A 45 -0.030 -7.743 12.593 1.00 62.44 C ATOM 713 C LYS A 45 1.491 -7.514 12.527 1.00 52.00 C ATOM 714 O LYS A 45 2.158 -7.409 13.564 1.00 2.24 O ATOM 715 CB LYS A 45 -0.322 -9.265 12.452 1.00 43.45 C ATOM 716 CG LYS A 45 -1.804 -9.657 12.591 1.00 21.22 C ATOM 717 CD LYS A 45 -2.046 -11.173 12.395 1.00 32.34 C ATOM 718 CE LYS A 45 -1.390 -12.055 13.472 1.00 4.35 C ATOM 719 NZ LYS A 45 -1.629 -13.509 13.221 1.00 65.53 N ATOM 0 H LYS A 45 -1.196 -7.504 10.840 1.00 44.24 H new ATOM 0 HA LYS A 45 -0.421 -7.411 13.555 1.00 62.44 H new ATOM 0 HB2 LYS A 45 0.038 -9.600 11.479 1.00 43.45 H new ATOM 0 HB3 LYS A 45 0.253 -9.802 13.207 1.00 43.45 H new ATOM 0 HG2 LYS A 45 -2.162 -9.361 13.577 1.00 21.22 H new ATOM 0 HG3 LYS A 45 -2.392 -9.103 11.859 1.00 21.22 H new ATOM 0 HD2 LYS A 45 -3.120 -11.362 12.390 1.00 32.34 H new ATOM 0 HD3 LYS A 45 -1.666 -11.468 11.417 1.00 32.34 H new ATOM 0 HE2 LYS A 45 -0.318 -11.862 13.496 1.00 4.35 H new ATOM 0 HE3 LYS A 45 -1.784 -11.786 14.452 1.00 4.35 H new ATOM 0 HZ1 LYS A 45 -1.172 -14.070 13.968 1.00 65.53 H new ATOM 0 HZ2 LYS A 45 -2.652 -13.698 13.223 1.00 65.53 H new ATOM 0 HZ3 LYS A 45 -1.230 -13.772 12.297 1.00 65.53 H new ATOM 733 N SER A 46 2.027 -7.435 11.292 1.00 53.31 N ATOM 734 CA SER A 46 3.442 -7.148 11.051 1.00 14.30 C ATOM 735 C SER A 46 3.778 -5.723 11.490 1.00 22.14 C ATOM 736 O SER A 46 4.806 -5.512 12.106 1.00 23.02 O ATOM 737 CB SER A 46 3.777 -7.363 9.561 1.00 34.32 C ATOM 738 OG SER A 46 5.149 -7.148 9.283 1.00 4.03 O ATOM 0 H SER A 46 1.485 -7.570 10.439 1.00 53.31 H new ATOM 0 HA SER A 46 4.050 -7.833 11.641 1.00 14.30 H new ATOM 0 HB2 SER A 46 3.505 -8.378 9.272 1.00 34.32 H new ATOM 0 HB3 SER A 46 3.175 -6.687 8.954 1.00 34.32 H new ATOM 0 HG SER A 46 5.542 -7.969 8.920 1.00 4.03 H new ATOM 744 N MET A 47 2.866 -4.765 11.227 1.00 44.43 N ATOM 745 CA MET A 47 3.067 -3.341 11.579 1.00 41.24 C ATOM 746 C MET A 47 3.170 -3.130 13.113 1.00 42.04 C ATOM 747 O MET A 47 3.539 -2.047 13.579 1.00 11.14 O ATOM 748 CB MET A 47 1.935 -2.462 10.984 1.00 64.20 C ATOM 749 CG MET A 47 1.856 -2.463 9.447 1.00 30.43 C ATOM 750 SD MET A 47 3.330 -1.791 8.647 1.00 3.24 S ATOM 751 CE MET A 47 3.304 -0.083 9.188 1.00 20.23 C ATOM 0 H MET A 47 1.975 -4.953 10.768 1.00 44.43 H new ATOM 0 HA MET A 47 4.017 -3.033 11.142 1.00 41.24 H new ATOM 0 HB2 MET A 47 0.980 -2.805 11.383 1.00 64.20 H new ATOM 0 HB3 MET A 47 2.073 -1.436 11.326 1.00 64.20 H new ATOM 0 HG2 MET A 47 1.698 -3.484 9.100 1.00 30.43 H new ATOM 0 HG3 MET A 47 0.987 -1.883 9.136 1.00 30.43 H new ATOM 0 HE1 MET A 47 4.073 0.479 8.657 1.00 20.23 H new ATOM 0 HE2 MET A 47 2.327 0.351 8.977 1.00 20.23 H new ATOM 0 HE3 MET A 47 3.497 -0.038 10.260 1.00 20.23 H new ATOM 761 N LYS A 48 2.824 -4.174 13.888 1.00 43.14 N ATOM 762 CA LYS A 48 2.981 -4.183 15.351 1.00 43.42 C ATOM 763 C LYS A 48 4.362 -4.742 15.753 1.00 3.55 C ATOM 764 O LYS A 48 4.917 -4.370 16.793 1.00 62.32 O ATOM 765 CB LYS A 48 1.868 -5.040 15.990 1.00 1.12 C ATOM 766 CG LYS A 48 0.446 -4.621 15.594 1.00 45.22 C ATOM 767 CD LYS A 48 -0.627 -5.488 16.278 1.00 73.31 C ATOM 768 CE LYS A 48 -2.043 -5.093 15.870 1.00 14.23 C ATOM 769 NZ LYS A 48 -3.059 -5.778 16.706 1.00 10.21 N ATOM 0 H LYS A 48 2.427 -5.036 13.515 1.00 43.14 H new ATOM 0 HA LYS A 48 2.906 -3.157 15.711 1.00 43.42 H new ATOM 0 HB2 LYS A 48 2.020 -6.082 15.708 1.00 1.12 H new ATOM 0 HB3 LYS A 48 1.962 -4.987 17.075 1.00 1.12 H new ATOM 0 HG2 LYS A 48 0.290 -3.576 15.860 1.00 45.22 H new ATOM 0 HG3 LYS A 48 0.335 -4.695 14.512 1.00 45.22 H new ATOM 0 HD2 LYS A 48 -0.458 -6.535 16.026 1.00 73.31 H new ATOM 0 HD3 LYS A 48 -0.526 -5.400 17.360 1.00 73.31 H new ATOM 0 HE2 LYS A 48 -2.162 -4.013 15.962 1.00 14.23 H new ATOM 0 HE3 LYS A 48 -2.204 -5.343 14.821 1.00 14.23 H new ATOM 0 HZ1 LYS A 48 -3.528 -6.518 16.146 1.00 10.21 H new ATOM 0 HZ2 LYS A 48 -2.596 -6.210 17.531 1.00 10.21 H new ATOM 0 HZ3 LYS A 48 -3.766 -5.087 17.028 1.00 10.21 H new ATOM 816 N LYS A 52 7.679 0.298 10.522 1.00 23.21 N ATOM 817 CA LYS A 52 8.468 0.876 9.392 1.00 32.34 C ATOM 818 C LYS A 52 7.555 1.648 8.390 1.00 32.22 C ATOM 819 O LYS A 52 6.324 1.559 8.483 1.00 5.23 O ATOM 820 CB LYS A 52 9.313 -0.229 8.654 1.00 0.41 C ATOM 821 CG LYS A 52 10.117 -1.197 9.561 1.00 44.32 C ATOM 822 CD LYS A 52 11.005 -0.499 10.620 1.00 32.25 C ATOM 823 CE LYS A 52 12.115 0.376 10.024 1.00 73.12 C ATOM 824 NZ LYS A 52 13.022 0.894 11.090 1.00 64.53 N ATOM 0 HA LYS A 52 9.166 1.595 9.822 1.00 32.34 H new ATOM 0 HB2 LYS A 52 8.638 -0.820 8.036 1.00 0.41 H new ATOM 0 HB3 LYS A 52 10.011 0.267 7.979 1.00 0.41 H new ATOM 0 HG2 LYS A 52 9.419 -1.860 10.071 1.00 44.32 H new ATOM 0 HG3 LYS A 52 10.749 -1.823 8.931 1.00 44.32 H new ATOM 0 HD2 LYS A 52 10.374 0.118 11.259 1.00 32.25 H new ATOM 0 HD3 LYS A 52 11.458 -1.259 11.257 1.00 32.25 H new ATOM 0 HE2 LYS A 52 12.691 -0.203 9.302 1.00 73.12 H new ATOM 0 HE3 LYS A 52 11.672 1.211 9.482 1.00 73.12 H new ATOM 0 HZ1 LYS A 52 13.763 1.483 10.659 1.00 64.53 H new ATOM 0 HZ2 LYS A 52 12.474 1.466 11.764 1.00 64.53 H new ATOM 0 HZ3 LYS A 52 13.461 0.095 11.590 1.00 64.53 H new ATOM 838 N PRO A 53 8.128 2.475 7.441 1.00 41.10 N ATOM 839 CA PRO A 53 7.343 2.979 6.290 1.00 23.40 C ATOM 840 C PRO A 53 7.035 1.811 5.335 1.00 53.15 C ATOM 841 O PRO A 53 7.945 1.150 4.858 1.00 74.25 O ATOM 842 CB PRO A 53 8.280 4.032 5.621 1.00 35.43 C ATOM 843 CG PRO A 53 9.393 4.266 6.605 1.00 51.44 C ATOM 844 CD PRO A 53 9.516 3.001 7.422 1.00 0.14 C ATOM 0 HA PRO A 53 6.384 3.416 6.570 1.00 23.40 H new ATOM 0 HB2 PRO A 53 8.668 3.664 4.671 1.00 35.43 H new ATOM 0 HB3 PRO A 53 7.743 4.957 5.410 1.00 35.43 H new ATOM 0 HG2 PRO A 53 10.327 4.487 6.089 1.00 51.44 H new ATOM 0 HG3 PRO A 53 9.172 5.121 7.244 1.00 51.44 H new ATOM 0 HD2 PRO A 53 10.209 2.293 6.967 1.00 0.14 H new ATOM 0 HD3 PRO A 53 9.883 3.205 8.428 1.00 0.14 H new ATOM 852 N LEU A 54 5.764 1.564 5.057 1.00 23.43 N ATOM 853 CA LEU A 54 5.339 0.425 4.232 1.00 54.20 C ATOM 854 C LEU A 54 4.561 0.949 3.019 1.00 43.32 C ATOM 855 O LEU A 54 4.187 2.117 2.985 1.00 43.24 O ATOM 856 CB LEU A 54 4.491 -0.555 5.101 1.00 74.43 C ATOM 857 CG LEU A 54 4.522 -2.052 4.656 1.00 52.50 C ATOM 858 CD1 LEU A 54 5.921 -2.669 4.863 1.00 41.31 C ATOM 859 CD2 LEU A 54 3.444 -2.874 5.376 1.00 43.22 C ATOM 0 H LEU A 54 4.993 2.142 5.393 1.00 23.43 H new ATOM 0 HA LEU A 54 6.202 -0.129 3.861 1.00 54.20 H new ATOM 0 HB2 LEU A 54 4.841 -0.494 6.132 1.00 74.43 H new ATOM 0 HB3 LEU A 54 3.456 -0.214 5.095 1.00 74.43 H new ATOM 0 HG LEU A 54 4.300 -2.080 3.589 1.00 52.50 H new ATOM 0 HD11 LEU A 54 5.910 -3.711 4.544 1.00 41.31 H new ATOM 0 HD12 LEU A 54 6.653 -2.117 4.274 1.00 41.31 H new ATOM 0 HD13 LEU A 54 6.190 -2.615 5.918 1.00 41.31 H new ATOM 0 HD21 LEU A 54 3.494 -3.911 5.043 1.00 43.22 H new ATOM 0 HD22 LEU A 54 3.611 -2.830 6.452 1.00 43.22 H new ATOM 0 HD23 LEU A 54 2.460 -2.466 5.145 1.00 43.22 H new ATOM 871 N VAL A 55 4.345 0.084 2.016 1.00 21.03 N ATOM 872 CA VAL A 55 3.637 0.420 0.763 1.00 42.10 C ATOM 873 C VAL A 55 2.853 -0.831 0.315 1.00 71.43 C ATOM 874 O VAL A 55 3.436 -1.745 -0.272 1.00 34.52 O ATOM 875 CB VAL A 55 4.611 0.876 -0.411 1.00 0.51 C ATOM 876 CG1 VAL A 55 3.812 1.239 -1.678 1.00 74.30 C ATOM 877 CG2 VAL A 55 5.535 2.051 -0.008 1.00 12.54 C ATOM 0 H VAL A 55 4.661 -0.885 2.050 1.00 21.03 H new ATOM 0 HA VAL A 55 2.981 1.267 0.966 1.00 42.10 H new ATOM 0 HB VAL A 55 5.254 0.022 -0.623 1.00 0.51 H new ATOM 0 HG11 VAL A 55 4.499 1.547 -2.466 1.00 74.30 H new ATOM 0 HG12 VAL A 55 3.244 0.370 -2.011 1.00 74.30 H new ATOM 0 HG13 VAL A 55 3.127 2.056 -1.454 1.00 74.30 H new ATOM 0 HG21 VAL A 55 6.175 2.316 -0.850 1.00 12.54 H new ATOM 0 HG22 VAL A 55 4.928 2.912 0.271 1.00 12.54 H new ATOM 0 HG23 VAL A 55 6.154 1.753 0.839 1.00 12.54 H new ATOM 887 N VAL A 56 1.543 -0.886 0.621 1.00 44.51 N ATOM 888 CA VAL A 56 0.687 -2.045 0.270 1.00 34.11 C ATOM 889 C VAL A 56 -0.038 -1.792 -1.070 1.00 44.20 C ATOM 890 O VAL A 56 -0.880 -0.894 -1.172 1.00 12.41 O ATOM 891 CB VAL A 56 -0.354 -2.384 1.411 1.00 25.12 C ATOM 892 CG1 VAL A 56 -1.375 -3.464 0.969 1.00 5.21 C ATOM 893 CG2 VAL A 56 0.378 -2.833 2.695 1.00 33.15 C ATOM 0 H VAL A 56 1.049 -0.141 1.112 1.00 44.51 H new ATOM 0 HA VAL A 56 1.340 -2.911 0.163 1.00 34.11 H new ATOM 0 HB VAL A 56 -0.913 -1.472 1.618 1.00 25.12 H new ATOM 0 HG11 VAL A 56 -2.069 -3.664 1.785 1.00 5.21 H new ATOM 0 HG12 VAL A 56 -1.929 -3.107 0.100 1.00 5.21 H new ATOM 0 HG13 VAL A 56 -0.846 -4.381 0.710 1.00 5.21 H new ATOM 0 HG21 VAL A 56 -0.354 -3.062 3.470 1.00 33.15 H new ATOM 0 HG22 VAL A 56 0.973 -3.722 2.483 1.00 33.15 H new ATOM 0 HG23 VAL A 56 1.032 -2.032 3.040 1.00 33.15 H new ATOM 903 N PHE A 57 0.311 -2.599 -2.089 1.00 41.52 N ATOM 904 CA PHE A 57 -0.352 -2.585 -3.399 1.00 4.23 C ATOM 905 C PHE A 57 -1.613 -3.474 -3.339 1.00 54.40 C ATOM 906 O PHE A 57 -1.523 -4.685 -3.085 1.00 71.03 O ATOM 907 CB PHE A 57 0.625 -3.074 -4.507 1.00 13.12 C ATOM 908 CG PHE A 57 1.717 -2.059 -4.879 1.00 63.24 C ATOM 909 CD1 PHE A 57 2.914 -1.980 -4.165 1.00 51.43 C ATOM 910 CD2 PHE A 57 1.535 -1.175 -5.947 1.00 41.33 C ATOM 911 CE1 PHE A 57 3.885 -1.050 -4.506 1.00 41.11 C ATOM 912 CE2 PHE A 57 2.506 -0.249 -6.280 1.00 54.14 C ATOM 913 CZ PHE A 57 3.680 -0.188 -5.561 1.00 20.22 C ATOM 0 H PHE A 57 1.066 -3.282 -2.023 1.00 41.52 H new ATOM 0 HA PHE A 57 -0.650 -1.566 -3.647 1.00 4.23 H new ATOM 0 HB2 PHE A 57 1.101 -3.997 -4.174 1.00 13.12 H new ATOM 0 HB3 PHE A 57 0.050 -3.316 -5.401 1.00 13.12 H new ATOM 0 HD1 PHE A 57 3.086 -2.651 -3.337 1.00 51.43 H new ATOM 0 HD2 PHE A 57 0.621 -1.216 -6.521 1.00 41.33 H new ATOM 0 HE1 PHE A 57 4.805 -1.001 -3.942 1.00 41.11 H new ATOM 0 HE2 PHE A 57 2.344 0.428 -7.106 1.00 54.14 H new ATOM 0 HZ PHE A 57 4.438 0.535 -5.824 1.00 20.22 H new ATOM 923 N VAL A 58 -2.782 -2.843 -3.543 1.00 3.12 N ATOM 924 CA VAL A 58 -4.092 -3.516 -3.521 1.00 41.43 C ATOM 925 C VAL A 58 -4.334 -4.196 -4.882 1.00 63.13 C ATOM 926 O VAL A 58 -4.769 -3.555 -5.832 1.00 30.11 O ATOM 927 CB VAL A 58 -5.248 -2.486 -3.191 1.00 45.43 C ATOM 928 CG1 VAL A 58 -6.640 -3.158 -3.162 1.00 13.23 C ATOM 929 CG2 VAL A 58 -4.966 -1.754 -1.860 1.00 50.42 C ATOM 0 H VAL A 58 -2.845 -1.842 -3.730 1.00 3.12 H new ATOM 0 HA VAL A 58 -4.094 -4.273 -2.737 1.00 41.43 H new ATOM 0 HB VAL A 58 -5.263 -1.752 -3.997 1.00 45.43 H new ATOM 0 HG11 VAL A 58 -7.400 -2.411 -2.932 1.00 13.23 H new ATOM 0 HG12 VAL A 58 -6.850 -3.601 -4.135 1.00 13.23 H new ATOM 0 HG13 VAL A 58 -6.653 -3.936 -2.399 1.00 13.23 H new ATOM 0 HG21 VAL A 58 -5.773 -1.051 -1.653 1.00 50.42 H new ATOM 0 HG22 VAL A 58 -4.902 -2.482 -1.051 1.00 50.42 H new ATOM 0 HG23 VAL A 58 -4.023 -1.212 -1.936 1.00 50.42 H new ATOM 939 N ASN A 59 -3.963 -5.478 -4.987 1.00 43.12 N ATOM 940 CA ASN A 59 -4.097 -6.269 -6.227 1.00 25.41 C ATOM 941 C ASN A 59 -5.188 -7.342 -6.060 1.00 60.04 C ATOM 942 O ASN A 59 -4.948 -8.380 -5.444 1.00 42.53 O ATOM 943 CB ASN A 59 -2.722 -6.911 -6.557 1.00 71.32 C ATOM 944 CG ASN A 59 -2.753 -7.915 -7.720 1.00 53.20 C ATOM 945 OD1 ASN A 59 -2.575 -7.554 -8.877 1.00 60.15 O ATOM 946 ND2 ASN A 59 -2.970 -9.196 -7.414 1.00 42.43 N ATOM 0 H ASN A 59 -3.558 -6.003 -4.212 1.00 43.12 H new ATOM 0 HA ASN A 59 -4.397 -5.624 -7.053 1.00 25.41 H new ATOM 0 HB2 ASN A 59 -2.013 -6.119 -6.796 1.00 71.32 H new ATOM 0 HB3 ASN A 59 -2.348 -7.416 -5.667 1.00 71.32 H new ATOM 0 HD21 ASN A 59 -2.990 -9.900 -8.152 1.00 42.43 H new ATOM 0 HD22 ASN A 59 -3.115 -9.471 -6.443 1.00 42.43 H new ATOM 953 N GLY A 60 -6.398 -7.075 -6.587 1.00 35.21 N ATOM 954 CA GLY A 60 -7.500 -8.052 -6.555 1.00 3.11 C ATOM 955 C GLY A 60 -8.497 -7.793 -5.428 1.00 32.42 C ATOM 956 O GLY A 60 -9.658 -8.207 -5.520 1.00 2.15 O ATOM 0 H GLY A 60 -6.636 -6.192 -7.039 1.00 35.21 H new ATOM 0 HA2 GLY A 60 -8.026 -8.029 -7.510 1.00 3.11 H new ATOM 0 HA3 GLY A 60 -7.086 -9.054 -6.443 1.00 3.11 H new ATOM 960 N ALA A 61 -8.039 -7.123 -4.352 1.00 55.45 N ATOM 961 CA ALA A 61 -8.899 -6.751 -3.211 1.00 2.21 C ATOM 962 C ALA A 61 -9.827 -5.569 -3.580 1.00 0.34 C ATOM 963 O ALA A 61 -9.458 -4.710 -4.386 1.00 51.33 O ATOM 964 CB ALA A 61 -8.035 -6.418 -1.984 1.00 31.52 C ATOM 0 H ALA A 61 -7.069 -6.826 -4.249 1.00 55.45 H new ATOM 0 HA ALA A 61 -9.535 -7.601 -2.962 1.00 2.21 H new ATOM 0 HB1 ALA A 61 -8.680 -6.145 -1.148 1.00 31.52 H new ATOM 0 HB2 ALA A 61 -7.438 -7.289 -1.712 1.00 31.52 H new ATOM 0 HB3 ALA A 61 -7.374 -5.584 -2.220 1.00 31.52 H new ATOM 970 N SER A 62 -11.016 -5.540 -2.959 1.00 5.51 N ATOM 971 CA SER A 62 -12.088 -4.568 -3.252 1.00 42.25 C ATOM 972 C SER A 62 -12.055 -3.381 -2.263 1.00 62.44 C ATOM 973 O SER A 62 -11.250 -3.366 -1.323 1.00 3.24 O ATOM 974 CB SER A 62 -13.446 -5.303 -3.161 1.00 33.11 C ATOM 975 OG SER A 62 -13.474 -6.444 -4.003 1.00 71.33 O ATOM 0 H SER A 62 -11.267 -6.202 -2.225 1.00 5.51 H new ATOM 0 HA SER A 62 -11.942 -4.161 -4.252 1.00 42.25 H new ATOM 0 HB2 SER A 62 -13.630 -5.605 -2.130 1.00 33.11 H new ATOM 0 HB3 SER A 62 -14.250 -4.622 -3.441 1.00 33.11 H new ATOM 0 HG SER A 62 -14.344 -6.889 -3.923 1.00 71.33 H new ATOM 981 N GLN A 63 -12.975 -2.412 -2.479 1.00 34.13 N ATOM 982 CA GLN A 63 -13.149 -1.222 -1.612 1.00 33.01 C ATOM 983 C GLN A 63 -13.541 -1.636 -0.174 1.00 60.05 C ATOM 984 O GLN A 63 -13.160 -0.977 0.793 1.00 51.01 O ATOM 985 CB GLN A 63 -14.229 -0.280 -2.230 1.00 14.50 C ATOM 986 CG GLN A 63 -14.493 1.046 -1.471 1.00 4.44 C ATOM 987 CD GLN A 63 -13.263 1.954 -1.369 1.00 12.23 C ATOM 988 OE1 GLN A 63 -13.010 2.789 -2.241 1.00 42.23 O ATOM 989 NE2 GLN A 63 -12.497 1.815 -0.303 1.00 63.13 N ATOM 0 H GLN A 63 -13.623 -2.434 -3.266 1.00 34.13 H new ATOM 0 HA GLN A 63 -12.201 -0.688 -1.553 1.00 33.01 H new ATOM 0 HB2 GLN A 63 -13.930 -0.038 -3.250 1.00 14.50 H new ATOM 0 HB3 GLN A 63 -15.167 -0.831 -2.295 1.00 14.50 H new ATOM 0 HG2 GLN A 63 -15.293 1.589 -1.974 1.00 4.44 H new ATOM 0 HG3 GLN A 63 -14.847 0.815 -0.466 1.00 4.44 H new ATOM 0 HE21 GLN A 63 -12.728 1.117 0.404 1.00 63.13 H new ATOM 0 HE22 GLN A 63 -11.674 2.406 -0.186 1.00 63.13 H new ATOM 998 N ASN A 64 -14.296 -2.744 -0.064 1.00 65.44 N ATOM 999 CA ASN A 64 -14.731 -3.322 1.228 1.00 13.41 C ATOM 1000 C ASN A 64 -13.512 -3.781 2.065 1.00 4.15 C ATOM 1001 O ASN A 64 -13.470 -3.578 3.281 1.00 32.41 O ATOM 1002 CB ASN A 64 -15.694 -4.517 0.979 1.00 42.55 C ATOM 1003 CG ASN A 64 -16.966 -4.154 0.195 1.00 4.53 C ATOM 1004 OD1 ASN A 64 -16.991 -3.210 -0.593 1.00 65.03 O ATOM 1005 ND2 ASN A 64 -18.031 -4.912 0.389 1.00 23.33 N ATOM 0 H ASN A 64 -14.626 -3.270 -0.873 1.00 65.44 H new ATOM 0 HA ASN A 64 -15.258 -2.551 1.790 1.00 13.41 H new ATOM 0 HB2 ASN A 64 -15.156 -5.294 0.436 1.00 42.55 H new ATOM 0 HB3 ASN A 64 -15.983 -4.942 1.940 1.00 42.55 H new ATOM 0 HD21 ASN A 64 -18.894 -4.719 -0.119 1.00 23.33 H new ATOM 0 HD22 ASN A 64 -17.990 -5.690 1.047 1.00 23.33 H new ATOM 1012 N ASP A 65 -12.515 -4.369 1.372 1.00 64.02 N ATOM 1013 CA ASP A 65 -11.264 -4.870 1.994 1.00 63.05 C ATOM 1014 C ASP A 65 -10.356 -3.688 2.382 1.00 72.44 C ATOM 1015 O ASP A 65 -9.657 -3.731 3.397 1.00 35.32 O ATOM 1016 CB ASP A 65 -10.508 -5.824 1.029 1.00 41.22 C ATOM 1017 CG ASP A 65 -11.370 -6.994 0.524 1.00 41.12 C ATOM 1018 OD1 ASP A 65 -12.108 -6.805 -0.461 1.00 4.40 O ATOM 1019 OD2 ASP A 65 -11.331 -8.099 1.113 1.00 34.43 O ATOM 0 H ASP A 65 -12.551 -4.512 0.363 1.00 64.02 H new ATOM 0 HA ASP A 65 -11.530 -5.429 2.891 1.00 63.05 H new ATOM 0 HB2 ASP A 65 -10.148 -5.252 0.174 1.00 41.22 H new ATOM 0 HB3 ASP A 65 -9.630 -6.223 1.538 1.00 41.22 H new ATOM 1024 N VAL A 66 -10.402 -2.633 1.550 1.00 12.31 N ATOM 1025 CA VAL A 66 -9.689 -1.365 1.788 1.00 13.11 C ATOM 1026 C VAL A 66 -10.199 -0.702 3.081 1.00 2.02 C ATOM 1027 O VAL A 66 -9.415 -0.153 3.860 1.00 1.03 O ATOM 1028 CB VAL A 66 -9.871 -0.391 0.558 1.00 1.11 C ATOM 1029 CG1 VAL A 66 -9.456 1.061 0.889 1.00 43.14 C ATOM 1030 CG2 VAL A 66 -9.094 -0.917 -0.674 1.00 54.03 C ATOM 0 H VAL A 66 -10.941 -2.636 0.684 1.00 12.31 H new ATOM 0 HA VAL A 66 -8.626 -1.579 1.903 1.00 13.11 H new ATOM 0 HB VAL A 66 -10.935 -0.370 0.321 1.00 1.11 H new ATOM 0 HG11 VAL A 66 -9.600 1.690 0.010 1.00 43.14 H new ATOM 0 HG12 VAL A 66 -10.069 1.437 1.709 1.00 43.14 H new ATOM 0 HG13 VAL A 66 -8.406 1.082 1.182 1.00 43.14 H new ATOM 0 HG21 VAL A 66 -9.232 -0.232 -1.511 1.00 54.03 H new ATOM 0 HG22 VAL A 66 -8.033 -0.986 -0.433 1.00 54.03 H new ATOM 0 HG23 VAL A 66 -9.469 -1.903 -0.947 1.00 54.03 H new ATOM 1040 N ASN A 67 -11.521 -0.770 3.295 1.00 34.11 N ATOM 1041 CA ASN A 67 -12.166 -0.218 4.498 1.00 21.45 C ATOM 1042 C ASN A 67 -11.817 -1.056 5.740 1.00 31.15 C ATOM 1043 O ASN A 67 -11.673 -0.502 6.833 1.00 34.53 O ATOM 1044 CB ASN A 67 -13.700 -0.095 4.289 1.00 51.24 C ATOM 1045 CG ASN A 67 -14.100 1.001 3.288 1.00 43.20 C ATOM 1046 OD1 ASN A 67 -13.338 1.371 2.392 1.00 32.13 O ATOM 1047 ND2 ASN A 67 -15.306 1.521 3.425 1.00 60.22 N ATOM 0 H ASN A 67 -12.172 -1.207 2.643 1.00 34.11 H new ATOM 0 HA ASN A 67 -11.780 0.787 4.670 1.00 21.45 H new ATOM 0 HB2 ASN A 67 -14.089 -1.052 3.941 1.00 51.24 H new ATOM 0 HB3 ASN A 67 -14.173 0.111 5.249 1.00 51.24 H new ATOM 0 HD21 ASN A 67 -15.625 2.245 2.782 1.00 60.22 H new ATOM 0 HD22 ASN A 67 -15.918 1.198 4.174 1.00 60.22 H new ATOM 1054 N GLU A 68 -11.642 -2.388 5.558 1.00 11.54 N ATOM 1055 CA GLU A 68 -11.117 -3.272 6.622 1.00 33.43 C ATOM 1056 C GLU A 68 -9.705 -2.817 7.045 1.00 3.42 C ATOM 1057 O GLU A 68 -9.397 -2.788 8.236 1.00 61.52 O ATOM 1058 CB GLU A 68 -11.094 -4.760 6.173 1.00 72.44 C ATOM 1059 CG GLU A 68 -12.486 -5.404 5.989 1.00 22.52 C ATOM 1060 CD GLU A 68 -13.290 -5.540 7.304 1.00 53.23 C ATOM 1061 OE1 GLU A 68 -13.081 -6.528 8.048 1.00 20.11 O ATOM 1062 OE2 GLU A 68 -14.143 -4.668 7.599 1.00 35.55 O ATOM 0 H GLU A 68 -11.857 -2.871 4.685 1.00 11.54 H new ATOM 0 HA GLU A 68 -11.788 -3.196 7.478 1.00 33.43 H new ATOM 0 HB2 GLU A 68 -10.549 -4.832 5.232 1.00 72.44 H new ATOM 0 HB3 GLU A 68 -10.536 -5.338 6.910 1.00 72.44 H new ATOM 0 HG2 GLU A 68 -13.062 -4.807 5.282 1.00 22.52 H new ATOM 0 HG3 GLU A 68 -12.363 -6.392 5.545 1.00 22.52 H new ATOM 1069 N PHE A 69 -8.874 -2.428 6.044 1.00 1.30 N ATOM 1070 CA PHE A 69 -7.518 -1.904 6.287 1.00 13.12 C ATOM 1071 C PHE A 69 -7.570 -0.637 7.141 1.00 1.32 C ATOM 1072 O PHE A 69 -6.919 -0.568 8.176 1.00 11.33 O ATOM 1073 CB PHE A 69 -6.775 -1.601 4.952 1.00 5.53 C ATOM 1074 CG PHE A 69 -5.385 -0.989 5.149 1.00 74.40 C ATOM 1075 CD1 PHE A 69 -4.315 -1.770 5.593 1.00 74.33 C ATOM 1076 CD2 PHE A 69 -5.153 0.368 4.918 1.00 50.34 C ATOM 1077 CE1 PHE A 69 -3.070 -1.214 5.803 1.00 23.44 C ATOM 1078 CE2 PHE A 69 -3.908 0.917 5.123 1.00 1.53 C ATOM 1079 CZ PHE A 69 -2.870 0.129 5.565 1.00 10.15 C ATOM 0 H PHE A 69 -9.128 -2.471 5.057 1.00 1.30 H new ATOM 0 HA PHE A 69 -6.966 -2.676 6.823 1.00 13.12 H new ATOM 0 HB2 PHE A 69 -6.678 -2.525 4.382 1.00 5.53 H new ATOM 0 HB3 PHE A 69 -7.381 -0.920 4.355 1.00 5.53 H new ATOM 0 HD1 PHE A 69 -4.465 -2.824 5.774 1.00 74.33 H new ATOM 0 HD2 PHE A 69 -5.962 0.996 4.574 1.00 50.34 H new ATOM 0 HE1 PHE A 69 -2.254 -1.829 6.153 1.00 23.44 H new ATOM 0 HE2 PHE A 69 -3.745 1.968 4.937 1.00 1.53 H new ATOM 0 HZ PHE A 69 -1.895 0.564 5.726 1.00 10.15 H new ATOM 1089 N GLN A 70 -8.336 0.358 6.654 1.00 13.24 N ATOM 1090 CA GLN A 70 -8.456 1.677 7.286 1.00 42.20 C ATOM 1091 C GLN A 70 -8.860 1.578 8.777 1.00 13.11 C ATOM 1092 O GLN A 70 -8.163 2.136 9.630 1.00 13.33 O ATOM 1093 CB GLN A 70 -9.444 2.549 6.473 1.00 23.32 C ATOM 1094 CG GLN A 70 -8.971 2.852 5.034 1.00 43.51 C ATOM 1095 CD GLN A 70 -10.038 3.554 4.194 1.00 52.42 C ATOM 1096 OE1 GLN A 70 -10.882 2.779 3.527 1.00 32.41 O flip ATOM 1097 NE2 GLN A 70 -10.116 4.779 4.153 1.00 2.34 N flip ATOM 0 H GLN A 70 -8.892 0.264 5.804 1.00 13.24 H new ATOM 0 HA GLN A 70 -7.477 2.156 7.277 1.00 42.20 H new ATOM 0 HB2 GLN A 70 -10.409 2.044 6.429 1.00 23.32 H new ATOM 0 HB3 GLN A 70 -9.601 3.490 7.000 1.00 23.32 H new ATOM 0 HG2 GLN A 70 -8.078 3.476 5.074 1.00 43.51 H new ATOM 0 HG3 GLN A 70 -8.687 1.920 4.546 1.00 43.51 H new ATOM 0 HE21 GLN A 70 -9.453 5.350 4.677 1.00 2.34 H new ATOM 0 HE22 GLN A 70 -10.844 5.225 3.595 1.00 2.34 H new ATOM 1106 N ASN A 71 -9.936 0.809 9.074 1.00 23.54 N ATOM 1107 CA ASN A 71 -10.419 0.599 10.465 1.00 24.44 C ATOM 1108 C ASN A 71 -9.331 -0.066 11.333 1.00 25.21 C ATOM 1109 O ASN A 71 -8.853 0.526 12.319 1.00 63.22 O ATOM 1110 CB ASN A 71 -11.725 -0.271 10.497 1.00 51.11 C ATOM 1111 CG ASN A 71 -13.000 0.499 10.135 1.00 73.33 C ATOM 1112 OD1 ASN A 71 -13.602 1.162 10.984 1.00 54.45 O ATOM 1113 ND2 ASN A 71 -13.457 0.388 8.899 1.00 35.20 N ATOM 0 H ASN A 71 -10.488 0.322 8.368 1.00 23.54 H new ATOM 0 HA ASN A 71 -10.650 1.582 10.875 1.00 24.44 H new ATOM 0 HB2 ASN A 71 -11.609 -1.106 9.806 1.00 51.11 H new ATOM 0 HB3 ASN A 71 -11.841 -0.696 11.494 1.00 51.11 H new ATOM 0 HD21 ASN A 71 -14.323 0.856 8.632 1.00 35.20 H new ATOM 0 HD22 ASN A 71 -12.943 -0.165 8.213 1.00 35.20 H new ATOM 1120 N GLU A 72 -8.938 -1.289 10.931 1.00 70.34 N ATOM 1121 CA GLU A 72 -7.968 -2.119 11.666 1.00 40.11 C ATOM 1122 C GLU A 72 -6.614 -1.428 11.913 1.00 1.51 C ATOM 1123 O GLU A 72 -6.006 -1.641 12.964 1.00 61.34 O ATOM 1124 CB GLU A 72 -7.772 -3.472 10.940 1.00 31.31 C ATOM 1125 CG GLU A 72 -8.998 -4.406 10.998 1.00 42.23 C ATOM 1126 CD GLU A 72 -9.352 -4.856 12.429 1.00 23.31 C ATOM 1127 OE1 GLU A 72 -8.677 -5.772 12.956 1.00 24.31 O ATOM 1128 OE2 GLU A 72 -10.300 -4.308 13.033 1.00 44.21 O ATOM 0 H GLU A 72 -9.288 -1.731 10.081 1.00 70.34 H new ATOM 0 HA GLU A 72 -8.393 -2.288 12.655 1.00 40.11 H new ATOM 0 HB2 GLU A 72 -7.526 -3.279 9.896 1.00 31.31 H new ATOM 0 HB3 GLU A 72 -6.917 -3.986 11.379 1.00 31.31 H new ATOM 0 HG2 GLU A 72 -9.857 -3.895 10.562 1.00 42.23 H new ATOM 0 HG3 GLU A 72 -8.805 -5.286 10.385 1.00 42.23 H new ATOM 1135 N ALA A 73 -6.133 -0.631 10.955 1.00 1.12 N ATOM 1136 CA ALA A 73 -4.873 0.108 11.109 1.00 23.35 C ATOM 1137 C ALA A 73 -5.002 1.243 12.145 1.00 2.42 C ATOM 1138 O ALA A 73 -4.265 1.264 13.144 1.00 50.11 O ATOM 1139 CB ALA A 73 -4.410 0.644 9.747 1.00 11.01 C ATOM 0 H ALA A 73 -6.598 -0.479 10.060 1.00 1.12 H new ATOM 0 HA ALA A 73 -4.117 -0.580 11.487 1.00 23.35 H new ATOM 0 HB1 ALA A 73 -3.475 1.191 9.870 1.00 11.01 H new ATOM 0 HB2 ALA A 73 -4.256 -0.189 9.061 1.00 11.01 H new ATOM 0 HB3 ALA A 73 -5.170 1.312 9.341 1.00 11.01 H new ATOM 1145 N LYS A 74 -5.965 2.162 11.907 1.00 11.32 N ATOM 1146 CA LYS A 74 -6.116 3.393 12.714 1.00 3.23 C ATOM 1147 C LYS A 74 -6.393 3.097 14.210 1.00 24.41 C ATOM 1148 O LYS A 74 -5.968 3.872 15.075 1.00 14.41 O ATOM 1149 CB LYS A 74 -7.212 4.324 12.115 1.00 15.22 C ATOM 1150 CG LYS A 74 -8.670 3.838 12.279 1.00 33.24 C ATOM 1151 CD LYS A 74 -9.682 4.630 11.409 1.00 63.21 C ATOM 1152 CE LYS A 74 -9.724 6.142 11.708 1.00 31.24 C ATOM 1153 NZ LYS A 74 -10.679 6.864 10.803 1.00 1.24 N ATOM 0 H LYS A 74 -6.652 2.073 11.158 1.00 11.32 H new ATOM 0 HA LYS A 74 -5.160 3.914 12.671 1.00 3.23 H new ATOM 0 HB2 LYS A 74 -7.122 5.306 12.580 1.00 15.22 H new ATOM 0 HB3 LYS A 74 -7.010 4.455 11.052 1.00 15.22 H new ATOM 0 HG2 LYS A 74 -8.725 2.781 12.017 1.00 33.24 H new ATOM 0 HG3 LYS A 74 -8.958 3.922 13.327 1.00 33.24 H new ATOM 0 HD2 LYS A 74 -9.432 4.486 10.358 1.00 63.21 H new ATOM 0 HD3 LYS A 74 -10.678 4.213 11.560 1.00 63.21 H new ATOM 0 HE2 LYS A 74 -10.018 6.299 12.746 1.00 31.24 H new ATOM 0 HE3 LYS A 74 -8.725 6.563 11.592 1.00 31.24 H new ATOM 0 HZ1 LYS A 74 -10.679 7.878 11.036 1.00 1.24 H new ATOM 0 HZ2 LYS A 74 -10.384 6.736 9.814 1.00 1.24 H new ATOM 0 HZ3 LYS A 74 -11.637 6.480 10.932 1.00 1.24 H new ATOM 1167 N LYS A 75 -7.075 1.967 14.520 1.00 13.01 N ATOM 1168 CA LYS A 75 -7.379 1.594 15.918 1.00 15.22 C ATOM 1169 C LYS A 75 -6.168 0.955 16.634 1.00 10.20 C ATOM 1170 O LYS A 75 -6.056 1.046 17.862 1.00 11.05 O ATOM 1171 CB LYS A 75 -8.615 0.661 15.975 1.00 11.23 C ATOM 1172 CG LYS A 75 -8.445 -0.709 15.277 1.00 30.45 C ATOM 1173 CD LYS A 75 -9.751 -1.530 15.248 1.00 14.03 C ATOM 1174 CE LYS A 75 -10.319 -1.795 16.653 1.00 51.24 C ATOM 1175 NZ LYS A 75 -9.413 -2.647 17.477 1.00 75.34 N ATOM 0 H LYS A 75 -7.421 1.305 13.825 1.00 13.01 H new ATOM 0 HA LYS A 75 -7.610 2.514 16.455 1.00 15.22 H new ATOM 0 HB2 LYS A 75 -8.870 0.488 17.020 1.00 11.23 H new ATOM 0 HB3 LYS A 75 -9.461 1.178 15.522 1.00 11.23 H new ATOM 0 HG2 LYS A 75 -8.097 -0.551 14.256 1.00 30.45 H new ATOM 0 HG3 LYS A 75 -7.673 -1.281 15.792 1.00 30.45 H new ATOM 0 HD2 LYS A 75 -10.495 -1.000 14.654 1.00 14.03 H new ATOM 0 HD3 LYS A 75 -9.566 -2.482 14.750 1.00 14.03 H new ATOM 0 HE2 LYS A 75 -10.483 -0.845 17.162 1.00 51.24 H new ATOM 0 HE3 LYS A 75 -11.291 -2.281 16.564 1.00 51.24 H new ATOM 0 HZ1 LYS A 75 -9.786 -2.715 18.445 1.00 75.34 H new ATOM 0 HZ2 LYS A 75 -9.357 -3.598 17.060 1.00 75.34 H new ATOM 0 HZ3 LYS A 75 -8.464 -2.223 17.501 1.00 75.34 H new ATOM 1189 N GLU A 76 -5.266 0.308 15.870 1.00 74.22 N ATOM 1190 CA GLU A 76 -4.072 -0.370 16.436 1.00 51.13 C ATOM 1191 C GLU A 76 -2.814 0.524 16.397 1.00 15.55 C ATOM 1192 O GLU A 76 -1.708 0.060 16.710 1.00 44.44 O ATOM 1193 CB GLU A 76 -3.821 -1.703 15.689 1.00 20.31 C ATOM 1194 CG GLU A 76 -5.017 -2.685 15.710 1.00 51.11 C ATOM 1195 CD GLU A 76 -5.506 -3.048 17.126 1.00 42.04 C ATOM 1196 OE1 GLU A 76 -4.888 -3.921 17.773 1.00 15.11 O ATOM 1197 OE2 GLU A 76 -6.508 -2.465 17.604 1.00 53.35 O ATOM 0 H GLU A 76 -5.338 0.238 14.855 1.00 74.22 H new ATOM 0 HA GLU A 76 -4.276 -0.577 17.487 1.00 51.13 H new ATOM 0 HB2 GLU A 76 -3.567 -1.482 14.652 1.00 20.31 H new ATOM 0 HB3 GLU A 76 -2.955 -2.195 16.131 1.00 20.31 H new ATOM 0 HG2 GLU A 76 -5.844 -2.246 15.153 1.00 51.11 H new ATOM 0 HG3 GLU A 76 -4.732 -3.599 15.190 1.00 51.11 H new ATOM 1204 N GLY A 77 -2.991 1.800 15.994 1.00 12.15 N ATOM 1205 CA GLY A 77 -1.910 2.799 16.042 1.00 54.12 C ATOM 1206 C GLY A 77 -1.066 2.850 14.777 1.00 52.50 C ATOM 1207 O GLY A 77 -0.065 3.575 14.721 1.00 11.44 O ATOM 0 H GLY A 77 -3.874 2.160 15.632 1.00 12.15 H new ATOM 0 HA2 GLY A 77 -2.345 3.783 16.218 1.00 54.12 H new ATOM 0 HA3 GLY A 77 -1.263 2.580 16.891 1.00 54.12 H new ATOM 1211 N VAL A 78 -1.458 2.064 13.767 1.00 25.21 N ATOM 1212 CA VAL A 78 -0.790 2.042 12.463 1.00 32.13 C ATOM 1213 C VAL A 78 -1.292 3.221 11.611 1.00 73.43 C ATOM 1214 O VAL A 78 -2.497 3.337 11.351 1.00 24.42 O ATOM 1215 CB VAL A 78 -1.062 0.691 11.710 1.00 4.10 C ATOM 1216 CG1 VAL A 78 -0.310 0.628 10.360 1.00 3.33 C ATOM 1217 CG2 VAL A 78 -0.719 -0.519 12.609 1.00 12.11 C ATOM 0 H VAL A 78 -2.250 1.424 13.833 1.00 25.21 H new ATOM 0 HA VAL A 78 0.284 2.131 12.624 1.00 32.13 H new ATOM 0 HB VAL A 78 -2.127 0.646 11.483 1.00 4.10 H new ATOM 0 HG11 VAL A 78 -0.523 -0.321 9.869 1.00 3.33 H new ATOM 0 HG12 VAL A 78 -0.638 1.448 9.722 1.00 3.33 H new ATOM 0 HG13 VAL A 78 0.762 0.712 10.537 1.00 3.33 H new ATOM 0 HG21 VAL A 78 -0.916 -1.443 12.066 1.00 12.11 H new ATOM 0 HG22 VAL A 78 0.334 -0.479 12.887 1.00 12.11 H new ATOM 0 HG23 VAL A 78 -1.333 -0.489 13.509 1.00 12.11 H new ATOM 1227 N SER A 79 -0.366 4.103 11.215 1.00 1.25 N ATOM 1228 CA SER A 79 -0.670 5.243 10.337 1.00 72.42 C ATOM 1229 C SER A 79 -0.739 4.767 8.869 1.00 42.12 C ATOM 1230 O SER A 79 -0.186 3.707 8.536 1.00 35.11 O ATOM 1231 CB SER A 79 0.401 6.338 10.531 1.00 10.32 C ATOM 1232 OG SER A 79 0.501 6.707 11.901 1.00 12.12 O ATOM 0 H SER A 79 0.614 4.048 11.493 1.00 1.25 H new ATOM 0 HA SER A 79 -1.640 5.667 10.595 1.00 72.42 H new ATOM 0 HB2 SER A 79 1.366 5.977 10.175 1.00 10.32 H new ATOM 0 HB3 SER A 79 0.147 7.212 9.931 1.00 10.32 H new ATOM 0 HG SER A 79 1.186 7.400 12.004 1.00 12.12 H new ATOM 1238 N TYR A 80 -1.440 5.532 8.005 1.00 63.35 N ATOM 1239 CA TYR A 80 -1.589 5.184 6.570 1.00 63.52 C ATOM 1240 C TYR A 80 -1.994 6.403 5.715 1.00 62.12 C ATOM 1241 O TYR A 80 -2.630 7.344 6.208 1.00 34.23 O ATOM 1242 CB TYR A 80 -2.611 4.020 6.371 1.00 15.22 C ATOM 1243 CG TYR A 80 -4.016 4.282 6.944 1.00 3.34 C ATOM 1244 CD1 TYR A 80 -4.318 3.963 8.269 1.00 61.12 C ATOM 1245 CD2 TYR A 80 -5.032 4.850 6.167 1.00 24.44 C ATOM 1246 CE1 TYR A 80 -5.567 4.207 8.797 1.00 11.31 C ATOM 1247 CE2 TYR A 80 -6.284 5.093 6.695 1.00 44.11 C ATOM 1248 CZ TYR A 80 -6.545 4.768 8.010 1.00 12.54 C ATOM 1249 OH TYR A 80 -7.787 5.025 8.549 1.00 74.44 O ATOM 0 H TYR A 80 -1.913 6.395 8.273 1.00 63.35 H new ATOM 0 HA TYR A 80 -0.610 4.849 6.228 1.00 63.52 H new ATOM 0 HB2 TYR A 80 -2.703 3.815 5.304 1.00 15.22 H new ATOM 0 HB3 TYR A 80 -2.208 3.120 6.835 1.00 15.22 H new ATOM 0 HD1 TYR A 80 -3.558 3.516 8.892 1.00 61.12 H new ATOM 0 HD2 TYR A 80 -4.833 5.103 5.136 1.00 24.44 H new ATOM 0 HE1 TYR A 80 -5.777 3.958 9.827 1.00 11.31 H new ATOM 0 HE2 TYR A 80 -7.055 5.535 6.082 1.00 44.11 H new ATOM 0 HH TYR A 80 -8.365 5.422 7.864 1.00 74.44 H new ATOM 1259 N ASP A 81 -1.602 6.354 4.428 1.00 61.42 N ATOM 1260 CA ASP A 81 -1.974 7.324 3.387 1.00 60.14 C ATOM 1261 C ASP A 81 -2.600 6.551 2.212 1.00 55.51 C ATOM 1262 O ASP A 81 -1.930 5.717 1.595 1.00 11.40 O ATOM 1263 CB ASP A 81 -0.711 8.098 2.921 1.00 54.43 C ATOM 1264 CG ASP A 81 -1.006 9.159 1.842 1.00 75.32 C ATOM 1265 OD1 ASP A 81 -1.665 10.173 2.159 1.00 42.31 O ATOM 1266 OD2 ASP A 81 -0.566 9.008 0.687 1.00 2.31 O ATOM 0 H ASP A 81 -0.997 5.612 4.075 1.00 61.42 H new ATOM 0 HA ASP A 81 -2.693 8.046 3.774 1.00 60.14 H new ATOM 0 HB2 ASP A 81 -0.254 8.584 3.783 1.00 54.43 H new ATOM 0 HB3 ASP A 81 0.018 7.388 2.532 1.00 54.43 H new ATOM 1271 N VAL A 82 -3.890 6.801 1.933 1.00 41.52 N ATOM 1272 CA VAL A 82 -4.645 6.085 0.888 1.00 33.12 C ATOM 1273 C VAL A 82 -4.467 6.801 -0.473 1.00 62.05 C ATOM 1274 O VAL A 82 -5.022 7.884 -0.706 1.00 42.10 O ATOM 1275 CB VAL A 82 -6.176 5.960 1.264 1.00 71.34 C ATOM 1276 CG1 VAL A 82 -6.946 5.156 0.195 1.00 51.03 C ATOM 1277 CG2 VAL A 82 -6.356 5.322 2.667 1.00 50.13 C ATOM 0 H VAL A 82 -4.440 7.505 2.425 1.00 41.52 H new ATOM 0 HA VAL A 82 -4.248 5.073 0.810 1.00 33.12 H new ATOM 0 HB VAL A 82 -6.593 6.967 1.295 1.00 71.34 H new ATOM 0 HG11 VAL A 82 -7.996 5.086 0.479 1.00 51.03 H new ATOM 0 HG12 VAL A 82 -6.864 5.659 -0.768 1.00 51.03 H new ATOM 0 HG13 VAL A 82 -6.523 4.154 0.118 1.00 51.03 H new ATOM 0 HG21 VAL A 82 -7.418 5.248 2.900 1.00 50.13 H new ATOM 0 HG22 VAL A 82 -5.913 4.326 2.673 1.00 50.13 H new ATOM 0 HG23 VAL A 82 -5.863 5.943 3.415 1.00 50.13 H new ATOM 1287 N LEU A 83 -3.642 6.194 -1.337 1.00 44.25 N ATOM 1288 CA LEU A 83 -3.298 6.727 -2.669 1.00 51.45 C ATOM 1289 C LEU A 83 -4.193 6.084 -3.748 1.00 14.10 C ATOM 1290 O LEU A 83 -3.934 4.965 -4.192 1.00 42.03 O ATOM 1291 CB LEU A 83 -1.793 6.455 -2.957 1.00 30.22 C ATOM 1292 CG LEU A 83 -1.223 6.954 -4.332 1.00 34.35 C ATOM 1293 CD1 LEU A 83 -1.272 8.492 -4.454 1.00 71.44 C ATOM 1294 CD2 LEU A 83 0.206 6.412 -4.560 1.00 31.31 C ATOM 0 H LEU A 83 -3.186 5.305 -1.130 1.00 44.25 H new ATOM 0 HA LEU A 83 -3.471 7.803 -2.690 1.00 51.45 H new ATOM 0 HB2 LEU A 83 -1.208 6.917 -2.162 1.00 30.22 H new ATOM 0 HB3 LEU A 83 -1.626 5.380 -2.892 1.00 30.22 H new ATOM 0 HG LEU A 83 -1.865 6.557 -5.118 1.00 34.35 H new ATOM 0 HD11 LEU A 83 -0.868 8.793 -5.420 1.00 71.44 H new ATOM 0 HD12 LEU A 83 -2.305 8.831 -4.371 1.00 71.44 H new ATOM 0 HD13 LEU A 83 -0.678 8.939 -3.657 1.00 71.44 H new ATOM 0 HD21 LEU A 83 0.582 6.770 -5.518 1.00 31.31 H new ATOM 0 HD22 LEU A 83 0.859 6.761 -3.761 1.00 31.31 H new ATOM 0 HD23 LEU A 83 0.186 5.322 -4.562 1.00 31.31 H new ATOM 1306 N LYS A 84 -5.268 6.784 -4.134 1.00 15.30 N ATOM 1307 CA LYS A 84 -6.162 6.347 -5.222 1.00 61.54 C ATOM 1308 C LYS A 84 -5.828 7.143 -6.491 1.00 73.40 C ATOM 1309 O LYS A 84 -6.257 8.298 -6.648 1.00 35.05 O ATOM 1310 CB LYS A 84 -7.649 6.524 -4.831 1.00 34.45 C ATOM 1311 CG LYS A 84 -8.094 5.652 -3.642 1.00 43.52 C ATOM 1312 CD LYS A 84 -9.599 5.798 -3.329 1.00 23.52 C ATOM 1313 CE LYS A 84 -10.046 4.895 -2.180 1.00 11.43 C ATOM 1314 NZ LYS A 84 -11.482 5.086 -1.837 1.00 2.12 N ATOM 0 H LYS A 84 -5.544 7.667 -3.704 1.00 15.30 H new ATOM 0 HA LYS A 84 -6.006 5.285 -5.409 1.00 61.54 H new ATOM 0 HB2 LYS A 84 -7.827 7.571 -4.587 1.00 34.45 H new ATOM 0 HB3 LYS A 84 -8.271 6.288 -5.694 1.00 34.45 H new ATOM 0 HG2 LYS A 84 -7.872 4.607 -3.859 1.00 43.52 H new ATOM 0 HG3 LYS A 84 -7.515 5.925 -2.760 1.00 43.52 H new ATOM 0 HD2 LYS A 84 -9.816 6.836 -3.077 1.00 23.52 H new ATOM 0 HD3 LYS A 84 -10.178 5.559 -4.221 1.00 23.52 H new ATOM 0 HE2 LYS A 84 -9.875 3.853 -2.452 1.00 11.43 H new ATOM 0 HE3 LYS A 84 -9.435 5.099 -1.301 1.00 11.43 H new ATOM 0 HZ1 LYS A 84 -11.583 5.178 -0.806 1.00 2.12 H new ATOM 0 HZ2 LYS A 84 -11.837 5.948 -2.298 1.00 2.12 H new ATOM 0 HZ3 LYS A 84 -12.030 4.266 -2.167 1.00 2.12 H new ATOM 1328 N SER A 85 -5.027 6.528 -7.373 1.00 43.23 N ATOM 1329 CA SER A 85 -4.548 7.167 -8.615 1.00 10.12 C ATOM 1330 C SER A 85 -4.385 6.122 -9.728 1.00 2.42 C ATOM 1331 O SER A 85 -3.885 5.019 -9.485 1.00 75.05 O ATOM 1332 CB SER A 85 -3.208 7.916 -8.366 1.00 22.30 C ATOM 1333 OG SER A 85 -3.335 8.888 -7.345 1.00 11.50 O ATOM 0 H SER A 85 -4.691 5.573 -7.249 1.00 43.23 H new ATOM 0 HA SER A 85 -5.292 7.897 -8.934 1.00 10.12 H new ATOM 0 HB2 SER A 85 -2.435 7.198 -8.091 1.00 22.30 H new ATOM 0 HB3 SER A 85 -2.883 8.397 -9.288 1.00 22.30 H new ATOM 0 HG SER A 85 -2.475 9.338 -7.213 1.00 11.50 H new ATOM 1339 N THR A 86 -4.812 6.481 -10.951 1.00 13.15 N ATOM 1340 CA THR A 86 -4.640 5.644 -12.147 1.00 30.23 C ATOM 1341 C THR A 86 -3.653 6.353 -13.086 1.00 73.51 C ATOM 1342 O THR A 86 -4.045 7.080 -14.008 1.00 0.34 O ATOM 1343 CB THR A 86 -6.002 5.357 -12.867 1.00 3.13 C ATOM 1344 OG1 THR A 86 -6.657 6.584 -13.239 1.00 70.22 O ATOM 1345 CG2 THR A 86 -6.954 4.557 -11.971 1.00 5.33 C ATOM 0 H THR A 86 -5.288 7.364 -11.137 1.00 13.15 H new ATOM 0 HA THR A 86 -4.246 4.671 -11.852 1.00 30.23 H new ATOM 0 HB THR A 86 -5.767 4.775 -13.758 1.00 3.13 H new ATOM 0 HG1 THR A 86 -5.994 7.215 -13.590 1.00 70.22 H new ATOM 0 HG21 THR A 86 -7.888 4.376 -12.503 1.00 5.33 H new ATOM 0 HG22 THR A 86 -6.494 3.604 -11.711 1.00 5.33 H new ATOM 0 HG23 THR A 86 -7.158 5.121 -11.061 1.00 5.33 H new ATOM 1353 N ASP A 87 -2.360 6.161 -12.805 1.00 45.13 N ATOM 1354 CA ASP A 87 -1.273 6.910 -13.449 1.00 43.11 C ATOM 1355 C ASP A 87 0.059 6.288 -12.973 1.00 41.54 C ATOM 1356 O ASP A 87 0.405 6.430 -11.792 1.00 61.35 O ATOM 1357 CB ASP A 87 -1.365 8.417 -13.060 1.00 13.55 C ATOM 1358 CG ASP A 87 -0.448 9.336 -13.883 1.00 1.12 C ATOM 1359 OD1 ASP A 87 0.756 9.424 -13.575 1.00 61.23 O ATOM 1360 OD2 ASP A 87 -0.933 9.986 -14.843 1.00 72.00 O ATOM 0 H ASP A 87 -2.035 5.478 -12.121 1.00 45.13 H new ATOM 0 HA ASP A 87 -1.342 6.851 -14.535 1.00 43.11 H new ATOM 0 HB2 ASP A 87 -2.396 8.749 -13.180 1.00 13.55 H new ATOM 0 HB3 ASP A 87 -1.116 8.524 -12.004 1.00 13.55 H new ATOM 1365 N PRO A 88 0.800 5.555 -13.858 1.00 60.44 N ATOM 1366 CA PRO A 88 1.973 4.744 -13.446 1.00 52.22 C ATOM 1367 C PRO A 88 3.128 5.567 -12.841 1.00 72.21 C ATOM 1368 O PRO A 88 3.830 5.075 -11.951 1.00 73.55 O ATOM 1369 CB PRO A 88 2.387 4.000 -14.745 1.00 44.51 C ATOM 1370 CG PRO A 88 1.795 4.807 -15.864 1.00 25.10 C ATOM 1371 CD PRO A 88 0.537 5.442 -15.316 1.00 21.20 C ATOM 0 HA PRO A 88 1.719 4.066 -12.632 1.00 52.22 H new ATOM 0 HB2 PRO A 88 3.471 3.938 -14.835 1.00 44.51 H new ATOM 0 HB3 PRO A 88 2.007 2.978 -14.752 1.00 44.51 H new ATOM 0 HG2 PRO A 88 2.496 5.568 -16.207 1.00 25.10 H new ATOM 0 HG3 PRO A 88 1.568 4.173 -16.721 1.00 25.10 H new ATOM 0 HD2 PRO A 88 0.353 6.418 -15.766 1.00 21.20 H new ATOM 0 HD3 PRO A 88 -0.341 4.828 -15.517 1.00 21.20 H new ATOM 1379 N GLU A 89 3.290 6.827 -13.272 1.00 65.44 N ATOM 1380 CA GLU A 89 4.390 7.680 -12.772 1.00 71.42 C ATOM 1381 C GLU A 89 3.965 8.413 -11.491 1.00 72.21 C ATOM 1382 O GLU A 89 4.824 8.795 -10.692 1.00 2.02 O ATOM 1383 CB GLU A 89 4.930 8.673 -13.846 1.00 72.50 C ATOM 1384 CG GLU A 89 3.894 9.628 -14.488 1.00 1.24 C ATOM 1385 CD GLU A 89 3.304 9.137 -15.827 1.00 75.21 C ATOM 1386 OE1 GLU A 89 2.658 8.071 -15.852 1.00 10.32 O ATOM 1387 OE2 GLU A 89 3.462 9.829 -16.860 1.00 4.41 O ATOM 0 H GLU A 89 2.684 7.278 -13.957 1.00 65.44 H new ATOM 0 HA GLU A 89 5.222 7.017 -12.534 1.00 71.42 H new ATOM 0 HB2 GLU A 89 5.713 9.277 -13.388 1.00 72.50 H new ATOM 0 HB3 GLU A 89 5.398 8.093 -14.641 1.00 72.50 H new ATOM 0 HG2 GLU A 89 3.078 9.783 -13.783 1.00 1.24 H new ATOM 0 HG3 GLU A 89 4.365 10.598 -14.649 1.00 1.24 H new ATOM 1394 N GLU A 90 2.637 8.575 -11.285 1.00 43.44 N ATOM 1395 CA GLU A 90 2.079 9.164 -10.049 1.00 62.11 C ATOM 1396 C GLU A 90 2.304 8.207 -8.875 1.00 52.01 C ATOM 1397 O GLU A 90 2.816 8.597 -7.825 1.00 74.24 O ATOM 1398 CB GLU A 90 0.565 9.423 -10.212 1.00 42.32 C ATOM 1399 CG GLU A 90 -0.117 10.167 -9.045 1.00 75.04 C ATOM 1400 CD GLU A 90 0.373 11.620 -8.877 1.00 15.23 C ATOM 1401 OE1 GLU A 90 0.149 12.440 -9.800 1.00 23.24 O ATOM 1402 OE2 GLU A 90 0.954 11.955 -7.822 1.00 33.34 O ATOM 0 H GLU A 90 1.928 8.303 -11.966 1.00 43.44 H new ATOM 0 HA GLU A 90 2.583 10.111 -9.856 1.00 62.11 H new ATOM 0 HB2 GLU A 90 0.410 9.998 -11.125 1.00 42.32 H new ATOM 0 HB3 GLU A 90 0.064 8.465 -10.350 1.00 42.32 H new ATOM 0 HG2 GLU A 90 -1.195 10.171 -9.207 1.00 75.04 H new ATOM 0 HG3 GLU A 90 0.065 9.621 -8.120 1.00 75.04 H new ATOM 1409 N LEU A 91 1.929 6.933 -9.096 1.00 51.43 N ATOM 1410 CA LEU A 91 2.030 5.892 -8.069 1.00 3.12 C ATOM 1411 C LEU A 91 3.507 5.701 -7.650 1.00 45.42 C ATOM 1412 O LEU A 91 3.811 5.692 -6.463 1.00 21.41 O ATOM 1413 CB LEU A 91 1.410 4.554 -8.562 1.00 53.41 C ATOM 1414 CG LEU A 91 -0.100 4.579 -8.965 1.00 0.22 C ATOM 1415 CD1 LEU A 91 -0.581 3.175 -9.382 1.00 54.55 C ATOM 1416 CD2 LEU A 91 -0.979 5.143 -7.836 1.00 45.01 C ATOM 0 H LEU A 91 1.552 6.604 -9.984 1.00 51.43 H new ATOM 0 HA LEU A 91 1.461 6.212 -7.196 1.00 3.12 H new ATOM 0 HB2 LEU A 91 1.985 4.211 -9.422 1.00 53.41 H new ATOM 0 HB3 LEU A 91 1.539 3.811 -7.775 1.00 53.41 H new ATOM 0 HG LEU A 91 -0.198 5.245 -9.823 1.00 0.22 H new ATOM 0 HD11 LEU A 91 -1.635 3.218 -9.658 1.00 54.55 H new ATOM 0 HD12 LEU A 91 0.003 2.828 -10.234 1.00 54.55 H new ATOM 0 HD13 LEU A 91 -0.452 2.484 -8.549 1.00 54.55 H new ATOM 0 HD21 LEU A 91 -2.022 5.145 -8.153 1.00 45.01 H new ATOM 0 HD22 LEU A 91 -0.871 4.522 -6.946 1.00 45.01 H new ATOM 0 HD23 LEU A 91 -0.668 6.162 -7.607 1.00 45.01 H new ATOM 1428 N THR A 92 4.415 5.642 -8.653 1.00 23.33 N ATOM 1429 CA THR A 92 5.861 5.409 -8.432 1.00 75.20 C ATOM 1430 C THR A 92 6.531 6.570 -7.670 1.00 54.03 C ATOM 1431 O THR A 92 7.315 6.326 -6.738 1.00 74.14 O ATOM 1432 CB THR A 92 6.600 5.172 -9.788 1.00 23.42 C ATOM 1433 OG1 THR A 92 5.937 4.132 -10.523 1.00 32.21 O ATOM 1434 CG2 THR A 92 8.083 4.778 -9.601 1.00 13.04 C ATOM 0 H THR A 92 4.166 5.754 -9.636 1.00 23.33 H new ATOM 0 HA THR A 92 5.942 4.514 -7.815 1.00 75.20 H new ATOM 0 HB THR A 92 6.572 6.116 -10.332 1.00 23.42 H new ATOM 0 HG1 THR A 92 5.194 4.515 -11.034 1.00 32.21 H new ATOM 0 HG21 THR A 92 8.545 4.626 -10.577 1.00 13.04 H new ATOM 0 HG22 THR A 92 8.607 5.574 -9.071 1.00 13.04 H new ATOM 0 HG23 THR A 92 8.144 3.856 -9.023 1.00 13.04 H new ATOM 1442 N GLN A 93 6.203 7.831 -8.054 1.00 52.24 N ATOM 1443 CA GLN A 93 6.805 9.017 -7.417 1.00 73.13 C ATOM 1444 C GLN A 93 6.374 9.096 -5.945 1.00 33.20 C ATOM 1445 O GLN A 93 7.189 9.419 -5.080 1.00 33.05 O ATOM 1446 CB GLN A 93 6.479 10.344 -8.173 1.00 64.31 C ATOM 1447 CG GLN A 93 5.006 10.803 -8.134 1.00 25.34 C ATOM 1448 CD GLN A 93 4.742 12.128 -8.865 1.00 42.21 C ATOM 1449 OE1 GLN A 93 5.453 12.498 -9.802 1.00 33.33 O ATOM 1450 NE2 GLN A 93 3.703 12.840 -8.460 1.00 41.12 N ATOM 0 H GLN A 93 5.533 8.045 -8.793 1.00 52.24 H new ATOM 0 HA GLN A 93 7.888 8.900 -7.468 1.00 73.13 H new ATOM 0 HB2 GLN A 93 7.097 11.138 -7.754 1.00 64.31 H new ATOM 0 HB3 GLN A 93 6.774 10.226 -9.216 1.00 64.31 H new ATOM 0 HG2 GLN A 93 4.383 10.026 -8.577 1.00 25.34 H new ATOM 0 HG3 GLN A 93 4.696 10.906 -7.094 1.00 25.34 H new ATOM 0 HE21 GLN A 93 3.131 12.511 -7.682 1.00 41.12 H new ATOM 0 HE22 GLN A 93 3.474 13.718 -8.926 1.00 41.12 H new ATOM 1459 N ARG A 94 5.104 8.723 -5.668 1.00 52.13 N ATOM 1460 CA ARG A 94 4.555 8.761 -4.307 1.00 40.32 C ATOM 1461 C ARG A 94 5.149 7.641 -3.421 1.00 42.31 C ATOM 1462 O ARG A 94 5.383 7.871 -2.239 1.00 61.00 O ATOM 1463 CB ARG A 94 3.012 8.711 -4.337 1.00 51.23 C ATOM 1464 CG ARG A 94 2.343 9.921 -5.048 1.00 31.10 C ATOM 1465 CD ARG A 94 2.696 11.294 -4.427 1.00 73.34 C ATOM 1466 NE ARG A 94 2.172 12.405 -5.244 1.00 64.23 N ATOM 1467 CZ ARG A 94 2.743 13.615 -5.392 1.00 63.50 C ATOM 1468 NH1 ARG A 94 3.882 13.930 -4.771 1.00 22.41 N ATOM 1469 NH2 ARG A 94 2.163 14.503 -6.192 1.00 41.52 N ATOM 0 H ARG A 94 4.446 8.393 -6.374 1.00 52.13 H new ATOM 0 HA ARG A 94 4.847 9.709 -3.854 1.00 40.32 H new ATOM 0 HB2 ARG A 94 2.700 7.794 -4.837 1.00 51.23 H new ATOM 0 HB3 ARG A 94 2.643 8.657 -3.313 1.00 51.23 H new ATOM 0 HG2 ARG A 94 2.640 9.922 -6.097 1.00 31.10 H new ATOM 0 HG3 ARG A 94 1.261 9.790 -5.023 1.00 31.10 H new ATOM 0 HD2 ARG A 94 2.285 11.356 -3.419 1.00 73.34 H new ATOM 0 HD3 ARG A 94 3.778 11.386 -4.336 1.00 73.34 H new ATOM 0 HE ARG A 94 1.297 12.241 -5.742 1.00 64.23 H new ATOM 0 HH11 ARG A 94 4.340 13.247 -4.168 1.00 22.41 H new ATOM 0 HH12 ARG A 94 4.294 14.854 -4.900 1.00 22.41 H new ATOM 0 HH21 ARG A 94 1.301 14.262 -6.681 1.00 41.52 H new ATOM 0 HH22 ARG A 94 2.580 15.425 -6.317 1.00 41.52 H new ATOM 1483 N VAL A 95 5.413 6.445 -4.001 1.00 45.45 N ATOM 1484 CA VAL A 95 6.068 5.313 -3.284 1.00 4.34 C ATOM 1485 C VAL A 95 7.472 5.717 -2.802 1.00 24.15 C ATOM 1486 O VAL A 95 7.804 5.597 -1.604 1.00 1.13 O ATOM 1487 CB VAL A 95 6.156 4.018 -4.200 1.00 22.31 C ATOM 1488 CG1 VAL A 95 7.044 2.904 -3.581 1.00 10.43 C ATOM 1489 CG2 VAL A 95 4.748 3.461 -4.516 1.00 52.01 C ATOM 0 H VAL A 95 5.182 6.234 -4.972 1.00 45.45 H new ATOM 0 HA VAL A 95 5.452 5.073 -2.417 1.00 4.34 H new ATOM 0 HB VAL A 95 6.631 4.334 -5.129 1.00 22.31 H new ATOM 0 HG11 VAL A 95 7.068 2.044 -4.250 1.00 10.43 H new ATOM 0 HG12 VAL A 95 8.057 3.282 -3.440 1.00 10.43 H new ATOM 0 HG13 VAL A 95 6.632 2.603 -2.618 1.00 10.43 H new ATOM 0 HG21 VAL A 95 4.840 2.575 -5.144 1.00 52.01 H new ATOM 0 HG22 VAL A 95 4.245 3.196 -3.586 1.00 52.01 H new ATOM 0 HG23 VAL A 95 4.166 4.219 -5.040 1.00 52.01 H new ATOM 1499 N ARG A 96 8.264 6.255 -3.740 1.00 51.11 N ATOM 1500 CA ARG A 96 9.684 6.549 -3.502 1.00 14.02 C ATOM 1501 C ARG A 96 9.870 7.706 -2.494 1.00 24.34 C ATOM 1502 O ARG A 96 10.733 7.630 -1.617 1.00 62.44 O ATOM 1503 CB ARG A 96 10.423 6.810 -4.848 1.00 33.44 C ATOM 1504 CG ARG A 96 10.032 8.095 -5.602 1.00 63.23 C ATOM 1505 CD ARG A 96 10.654 8.164 -7.004 1.00 23.52 C ATOM 1506 NE ARG A 96 12.121 8.016 -6.973 1.00 60.22 N ATOM 1507 CZ ARG A 96 12.898 7.730 -8.032 1.00 44.14 C ATOM 1508 NH1 ARG A 96 12.372 7.558 -9.247 1.00 14.23 N ATOM 1509 NH2 ARG A 96 14.211 7.605 -7.865 1.00 21.50 N ATOM 0 H ARG A 96 7.942 6.497 -4.677 1.00 51.11 H new ATOM 0 HA ARG A 96 10.139 5.671 -3.043 1.00 14.02 H new ATOM 0 HB2 ARG A 96 11.494 6.842 -4.650 1.00 33.44 H new ATOM 0 HB3 ARG A 96 10.246 5.959 -5.506 1.00 33.44 H new ATOM 0 HG2 ARG A 96 8.947 8.147 -5.686 1.00 63.23 H new ATOM 0 HG3 ARG A 96 10.349 8.963 -5.024 1.00 63.23 H new ATOM 0 HD2 ARG A 96 10.225 7.380 -7.628 1.00 23.52 H new ATOM 0 HD3 ARG A 96 10.397 9.117 -7.467 1.00 23.52 H new ATOM 0 HE ARG A 96 12.585 8.141 -6.073 1.00 60.22 H new ATOM 0 HH11 ARG A 96 11.365 7.643 -9.383 1.00 14.23 H new ATOM 0 HH12 ARG A 96 12.977 7.341 -10.039 1.00 14.23 H new ATOM 0 HH21 ARG A 96 14.621 7.726 -6.939 1.00 21.50 H new ATOM 0 HH22 ARG A 96 14.808 7.388 -8.663 1.00 21.50 H new ATOM 1523 N GLU A 97 9.022 8.754 -2.600 1.00 0.30 N ATOM 1524 CA GLU A 97 9.084 9.922 -1.694 1.00 23.12 C ATOM 1525 C GLU A 97 8.477 9.583 -0.318 1.00 3.14 C ATOM 1526 O GLU A 97 8.843 10.194 0.694 1.00 35.34 O ATOM 1527 CB GLU A 97 8.372 11.149 -2.326 1.00 3.13 C ATOM 1528 CG GLU A 97 6.842 11.020 -2.428 1.00 53.22 C ATOM 1529 CD GLU A 97 6.176 12.189 -3.158 1.00 42.31 C ATOM 1530 OE1 GLU A 97 6.069 12.149 -4.403 1.00 43.10 O ATOM 1531 OE2 GLU A 97 5.748 13.158 -2.495 1.00 15.14 O ATOM 0 H GLU A 97 8.287 8.814 -3.304 1.00 0.30 H new ATOM 0 HA GLU A 97 10.133 10.179 -1.545 1.00 23.12 H new ATOM 0 HB2 GLU A 97 8.610 12.034 -1.736 1.00 3.13 H new ATOM 0 HB3 GLU A 97 8.777 11.313 -3.325 1.00 3.13 H new ATOM 0 HG2 GLU A 97 6.598 10.093 -2.946 1.00 53.22 H new ATOM 0 HG3 GLU A 97 6.424 10.944 -1.424 1.00 53.22 H new ATOM 1538 N PHE A 98 7.559 8.589 -0.284 1.00 61.22 N ATOM 1539 CA PHE A 98 6.918 8.132 0.963 1.00 34.02 C ATOM 1540 C PHE A 98 7.964 7.490 1.879 1.00 62.41 C ATOM 1541 O PHE A 98 8.022 7.782 3.074 1.00 13.51 O ATOM 1542 CB PHE A 98 5.793 7.121 0.649 1.00 3.22 C ATOM 1543 CG PHE A 98 4.992 6.676 1.858 1.00 53.14 C ATOM 1544 CD1 PHE A 98 3.891 7.419 2.285 1.00 51.53 C ATOM 1545 CD2 PHE A 98 5.341 5.531 2.575 1.00 1.32 C ATOM 1546 CE1 PHE A 98 3.171 7.031 3.386 1.00 43.45 C ATOM 1547 CE2 PHE A 98 4.619 5.150 3.673 1.00 40.20 C ATOM 1548 CZ PHE A 98 3.538 5.899 4.079 1.00 3.23 C ATOM 0 H PHE A 98 7.246 8.087 -1.115 1.00 61.22 H new ATOM 0 HA PHE A 98 6.480 8.992 1.470 1.00 34.02 H new ATOM 0 HB2 PHE A 98 5.113 7.567 -0.077 1.00 3.22 H new ATOM 0 HB3 PHE A 98 6.233 6.242 0.177 1.00 3.22 H new ATOM 0 HD1 PHE A 98 3.603 8.308 1.744 1.00 51.53 H new ATOM 0 HD2 PHE A 98 6.189 4.940 2.260 1.00 1.32 H new ATOM 0 HE1 PHE A 98 2.319 7.611 3.708 1.00 43.45 H new ATOM 0 HE2 PHE A 98 4.897 4.262 4.221 1.00 40.20 H new ATOM 0 HZ PHE A 98 2.973 5.596 4.948 1.00 3.23 H new ATOM 1558 N LEU A 99 8.805 6.624 1.287 1.00 2.41 N ATOM 1559 CA LEU A 99 9.884 5.933 2.017 1.00 65.22 C ATOM 1560 C LEU A 99 10.986 6.920 2.480 1.00 53.25 C ATOM 1561 O LEU A 99 11.832 6.571 3.315 1.00 1.41 O ATOM 1562 CB LEU A 99 10.474 4.798 1.134 1.00 70.33 C ATOM 1563 CG LEU A 99 9.467 3.681 0.691 1.00 21.31 C ATOM 1564 CD1 LEU A 99 10.155 2.623 -0.202 1.00 71.10 C ATOM 1565 CD2 LEU A 99 8.781 3.027 1.909 1.00 2.33 C ATOM 0 H LEU A 99 8.758 6.384 0.297 1.00 2.41 H new ATOM 0 HA LEU A 99 9.461 5.491 2.919 1.00 65.22 H new ATOM 0 HB2 LEU A 99 10.905 5.247 0.239 1.00 70.33 H new ATOM 0 HB3 LEU A 99 11.292 4.327 1.680 1.00 70.33 H new ATOM 0 HG LEU A 99 8.690 4.159 0.094 1.00 21.31 H new ATOM 0 HD11 LEU A 99 9.429 1.863 -0.491 1.00 71.10 H new ATOM 0 HD12 LEU A 99 10.552 3.104 -1.096 1.00 71.10 H new ATOM 0 HD13 LEU A 99 10.969 2.155 0.351 1.00 71.10 H new ATOM 0 HD21 LEU A 99 8.089 2.257 1.567 1.00 2.33 H new ATOM 0 HD22 LEU A 99 9.536 2.576 2.553 1.00 2.33 H new ATOM 0 HD23 LEU A 99 8.233 3.785 2.468 1.00 2.33 H new ATOM 1577 N LYS A 100 10.970 8.148 1.919 1.00 3.13 N ATOM 1578 CA LYS A 100 11.891 9.236 2.308 1.00 51.15 C ATOM 1579 C LYS A 100 11.301 10.082 3.465 1.00 32.22 C ATOM 1580 O LYS A 100 12.024 10.444 4.407 1.00 50.21 O ATOM 1581 CB LYS A 100 12.223 10.142 1.088 1.00 21.03 C ATOM 1582 CG LYS A 100 12.943 9.457 -0.109 1.00 55.23 C ATOM 1583 CD LYS A 100 14.474 9.220 0.077 1.00 23.13 C ATOM 1584 CE LYS A 100 14.846 8.074 1.038 1.00 70.41 C ATOM 1585 NZ LYS A 100 16.319 7.830 1.072 1.00 45.31 N ATOM 0 H LYS A 100 10.316 8.413 1.182 1.00 3.13 H new ATOM 0 HA LYS A 100 12.815 8.778 2.660 1.00 51.15 H new ATOM 0 HB2 LYS A 100 11.293 10.577 0.723 1.00 21.03 H new ATOM 0 HB3 LYS A 100 12.846 10.966 1.435 1.00 21.03 H new ATOM 0 HG2 LYS A 100 12.464 8.496 -0.297 1.00 55.23 H new ATOM 0 HG3 LYS A 100 12.793 10.068 -0.999 1.00 55.23 H new ATOM 0 HD2 LYS A 100 14.915 9.013 -0.898 1.00 23.13 H new ATOM 0 HD3 LYS A 100 14.927 10.142 0.443 1.00 23.13 H new ATOM 0 HE2 LYS A 100 14.495 8.314 2.042 1.00 70.41 H new ATOM 0 HE3 LYS A 100 14.334 7.162 0.730 1.00 70.41 H new ATOM 0 HZ1 LYS A 100 16.527 7.052 1.730 1.00 45.31 H new ATOM 0 HZ2 LYS A 100 16.651 7.576 0.120 1.00 45.31 H new ATOM 0 HZ3 LYS A 100 16.806 8.692 1.390 1.00 45.31 H new ATOM 1599 N THR A 101 9.980 10.363 3.413 1.00 11.51 N ATOM 1600 CA THR A 101 9.330 11.360 4.298 1.00 75.14 C ATOM 1601 C THR A 101 8.788 10.698 5.583 1.00 54.14 C ATOM 1602 O THR A 101 8.767 11.309 6.653 1.00 44.14 O ATOM 1603 CB THR A 101 8.170 12.091 3.546 1.00 40.25 C ATOM 1604 OG1 THR A 101 7.244 11.121 3.018 1.00 40.01 O ATOM 1605 CG2 THR A 101 8.695 12.976 2.397 1.00 41.21 C ATOM 0 H THR A 101 9.338 9.910 2.763 1.00 11.51 H new ATOM 0 HA THR A 101 10.086 12.092 4.581 1.00 75.14 H new ATOM 0 HB THR A 101 7.668 12.738 4.266 1.00 40.25 H new ATOM 0 HG1 THR A 101 7.613 10.728 2.200 1.00 40.01 H new ATOM 0 HG21 THR A 101 7.856 13.465 1.902 1.00 41.21 H new ATOM 0 HG22 THR A 101 9.370 13.732 2.799 1.00 41.21 H new ATOM 0 HG23 THR A 101 9.231 12.357 1.677 1.00 41.21 H new ATOM 1613 N ALA A 102 8.317 9.449 5.459 1.00 23.31 N ATOM 1614 CA ALA A 102 7.988 8.593 6.614 1.00 14.31 C ATOM 1615 C ALA A 102 9.250 7.861 7.121 1.00 35.33 C ATOM 1616 O ALA A 102 9.208 7.183 8.154 1.00 33.14 O ATOM 1617 CB ALA A 102 6.899 7.577 6.223 1.00 43.15 C ATOM 0 H ALA A 102 8.153 9.002 4.557 1.00 23.31 H new ATOM 0 HA ALA A 102 7.610 9.222 7.420 1.00 14.31 H new ATOM 0 HB1 ALA A 102 6.662 6.949 7.082 1.00 43.15 H new ATOM 0 HB2 ALA A 102 6.003 8.109 5.904 1.00 43.15 H new ATOM 0 HB3 ALA A 102 7.260 6.953 5.406 1.00 43.15 H new