USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1031 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 2 LYS NZ :NH3+ -124:sc= 0.868 (180deg=-0.344) USER MOD Set 1.2: A 76 TYR OH : rot -158:sc= 0.563 USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 175:sc= 0.542 (180deg=0.474) USER MOD Set 3.1: A 9 THR OG1 : rot 60:sc= 0.074 USER MOD Set 3.2: A 83 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Single : A 8 ASN : amide:sc= 0.532 K(o=0.53,f=-0.23) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= -0.621 (180deg=-2.88!) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0143) USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= 0.0342 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 24 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 27 TYR OH : rot 47:sc= 0.172 USER MOD Single : A 28 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.41) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 171:sc= -2.22 (180deg=-2.38) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0899) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 1.56 (180deg=0.214) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -111:sc= 0.587 USER MOD Single : A 59 ASN : amide:sc= 0.212 K(o=0.21,f=-4!) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.049 (180deg=-0.24) USER MOD Single : A 62 GLN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -167:sc= -1.79 (180deg=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00753) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc=-0.00357 K(o=-0.0036,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 1.03 (180deg=-0.13) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= -0.0115 (180deg=-0.0976) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.00715 K(o=0.0072,f=-0.57) USER MOD Single : A 102 TYR OH : rot -134:sc= 0.726 USER MOD Single : A 106 LYS NZ :NH3+ -137:sc= 0.432 (180deg=-0.645) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 144:sc= 1.06 (180deg=0.347) USER MOD Single : A 121 MET CE :methyl -170:sc= -3.25! (180deg=-4.09!) USER MOD Single : A 122 GLN : amide:sc= -0.245 K(o=-0.25,f=-3.9!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.246 6.206 13.463 1.00 23.15 N ATOM 21 CA LYS A 2 2.641 5.064 12.780 1.00 30.20 C ATOM 22 C LYS A 2 2.558 5.385 11.283 1.00 41.11 C ATOM 23 O LYS A 2 1.602 6.018 10.816 1.00 3.12 O ATOM 24 CB LYS A 2 1.244 4.761 13.392 1.00 45.31 C ATOM 25 CG LYS A 2 0.568 3.452 12.910 1.00 64.35 C ATOM 26 CD LYS A 2 -0.842 3.256 13.523 1.00 34.20 C ATOM 27 CE LYS A 2 -0.832 3.250 15.067 1.00 34.13 C ATOM 28 NZ LYS A 2 -2.198 3.340 15.635 1.00 3.20 N ATOM 0 HA LYS A 2 3.248 4.168 12.910 1.00 30.20 H new ATOM 0 HB2 LYS A 2 1.344 4.718 14.477 1.00 45.31 H new ATOM 0 HB3 LYS A 2 0.580 5.595 13.166 1.00 45.31 H new ATOM 0 HG2 LYS A 2 0.490 3.465 11.823 1.00 64.35 H new ATOM 0 HG3 LYS A 2 1.198 2.602 13.174 1.00 64.35 H new ATOM 0 HD2 LYS A 2 -1.499 4.052 13.172 1.00 34.20 H new ATOM 0 HD3 LYS A 2 -1.261 2.316 13.164 1.00 34.20 H new ATOM 0 HE2 LYS A 2 -0.352 2.338 15.422 1.00 34.13 H new ATOM 0 HE3 LYS A 2 -0.234 4.087 15.428 1.00 34.13 H new ATOM 0 HZ1 LYS A 2 -2.254 4.156 16.277 1.00 3.20 H new ATOM 0 HZ2 LYS A 2 -2.887 3.457 14.865 1.00 3.20 H new ATOM 0 HZ3 LYS A 2 -2.413 2.470 16.162 1.00 3.20 H new ATOM 42 N ILE A 3 3.620 5.015 10.557 1.00 1.21 N ATOM 43 CA ILE A 3 3.659 5.097 9.096 1.00 22.32 C ATOM 44 C ILE A 3 3.209 3.758 8.528 1.00 64.13 C ATOM 45 O ILE A 3 3.666 2.689 8.958 1.00 3.21 O ATOM 46 CB ILE A 3 5.088 5.483 8.544 1.00 15.33 C ATOM 47 CG1 ILE A 3 5.366 6.998 8.821 1.00 61.33 C ATOM 48 CG2 ILE A 3 5.240 5.153 7.031 1.00 54.44 C ATOM 49 CD1 ILE A 3 6.697 7.519 8.316 1.00 43.41 C ATOM 0 H ILE A 3 4.478 4.649 10.970 1.00 1.21 H new ATOM 0 HA ILE A 3 2.987 5.894 8.778 1.00 22.32 H new ATOM 0 HB ILE A 3 5.829 4.880 9.069 1.00 15.33 H new ATOM 0 HG12 ILE A 3 4.569 7.585 8.365 1.00 61.33 H new ATOM 0 HG13 ILE A 3 5.313 7.169 9.896 1.00 61.33 H new ATOM 0 HG21 ILE A 3 6.238 5.435 6.695 1.00 54.44 H new ATOM 0 HG22 ILE A 3 5.094 4.084 6.875 1.00 54.44 H new ATOM 0 HG23 ILE A 3 4.495 5.708 6.461 1.00 54.44 H new ATOM 0 HD11 ILE A 3 6.789 8.578 8.559 1.00 43.41 H new ATOM 0 HD12 ILE A 3 7.508 6.966 8.790 1.00 43.41 H new ATOM 0 HD13 ILE A 3 6.752 7.389 7.235 1.00 43.41 H new ATOM 61 N LEU A 4 2.283 3.844 7.573 1.00 50.54 N ATOM 62 CA LEU A 4 1.674 2.690 6.926 1.00 44.45 C ATOM 63 C LEU A 4 2.189 2.627 5.489 1.00 20.22 C ATOM 64 O LEU A 4 2.402 3.666 4.855 1.00 53.24 O ATOM 65 CB LEU A 4 0.130 2.841 6.971 1.00 25.00 C ATOM 66 CG LEU A 4 -0.458 3.260 8.361 1.00 40.21 C ATOM 67 CD1 LEU A 4 -1.954 3.582 8.265 1.00 63.14 C ATOM 68 CD2 LEU A 4 -0.181 2.193 9.439 1.00 53.25 C ATOM 0 H LEU A 4 1.931 4.735 7.224 1.00 50.54 H new ATOM 0 HA LEU A 4 1.936 1.763 7.437 1.00 44.45 H new ATOM 0 HB2 LEU A 4 -0.168 3.582 6.230 1.00 25.00 H new ATOM 0 HB3 LEU A 4 -0.321 1.894 6.674 1.00 25.00 H new ATOM 0 HG LEU A 4 0.054 4.172 8.666 1.00 40.21 H new ATOM 0 HD11 LEU A 4 -2.328 3.869 9.248 1.00 63.14 H new ATOM 0 HD12 LEU A 4 -2.105 4.404 7.565 1.00 63.14 H new ATOM 0 HD13 LEU A 4 -2.494 2.703 7.914 1.00 63.14 H new ATOM 0 HD21 LEU A 4 -0.603 2.518 10.390 1.00 53.25 H new ATOM 0 HD22 LEU A 4 -0.638 1.249 9.143 1.00 53.25 H new ATOM 0 HD23 LEU A 4 0.895 2.056 9.548 1.00 53.25 H new ATOM 80 N ILE A 5 2.453 1.420 4.994 1.00 71.33 N ATOM 81 CA ILE A 5 2.832 1.208 3.591 1.00 52.40 C ATOM 82 C ILE A 5 1.670 0.454 2.918 1.00 24.10 C ATOM 83 O ILE A 5 1.456 -0.735 3.178 1.00 54.24 O ATOM 84 CB ILE A 5 4.185 0.405 3.449 1.00 64.50 C ATOM 85 CG1 ILE A 5 5.329 1.001 4.350 1.00 54.43 C ATOM 86 CG2 ILE A 5 4.638 0.331 1.964 1.00 64.02 C ATOM 87 CD1 ILE A 5 5.800 2.396 3.979 1.00 3.32 C ATOM 0 H ILE A 5 2.412 0.564 5.547 1.00 71.33 H new ATOM 0 HA ILE A 5 3.008 2.169 3.108 1.00 52.40 H new ATOM 0 HB ILE A 5 3.990 -0.607 3.802 1.00 64.50 H new ATOM 0 HG12 ILE A 5 4.981 1.018 5.383 1.00 54.43 H new ATOM 0 HG13 ILE A 5 6.185 0.327 4.312 1.00 54.43 H new ATOM 0 HG21 ILE A 5 5.572 -0.227 1.896 1.00 64.02 H new ATOM 0 HG22 ILE A 5 3.871 -0.171 1.374 1.00 64.02 H new ATOM 0 HG23 ILE A 5 4.789 1.339 1.579 1.00 64.02 H new ATOM 0 HD11 ILE A 5 6.589 2.708 4.664 1.00 3.32 H new ATOM 0 HD12 ILE A 5 6.186 2.391 2.960 1.00 3.32 H new ATOM 0 HD13 ILE A 5 4.964 3.092 4.047 1.00 3.32 H new ATOM 99 N LEU A 6 0.886 1.175 2.107 1.00 35.33 N ATOM 100 CA LEU A 6 -0.272 0.613 1.396 1.00 24.21 C ATOM 101 C LEU A 6 0.244 0.122 0.033 1.00 33.01 C ATOM 102 O LEU A 6 0.996 0.833 -0.629 1.00 60.14 O ATOM 103 CB LEU A 6 -1.392 1.697 1.226 1.00 51.41 C ATOM 104 CG LEU A 6 -2.883 1.217 1.370 1.00 44.23 C ATOM 105 CD1 LEU A 6 -3.225 0.000 0.473 1.00 22.41 C ATOM 106 CD2 LEU A 6 -3.222 0.952 2.850 1.00 41.22 C ATOM 0 H LEU A 6 1.036 2.167 1.924 1.00 35.33 H new ATOM 0 HA LEU A 6 -0.718 -0.210 1.954 1.00 24.21 H new ATOM 0 HB2 LEU A 6 -1.217 2.482 1.962 1.00 51.41 H new ATOM 0 HB3 LEU A 6 -1.277 2.151 0.242 1.00 51.41 H new ATOM 0 HG LEU A 6 -3.515 2.029 1.009 1.00 44.23 H new ATOM 0 HD11 LEU A 6 -4.268 -0.279 0.621 1.00 22.41 H new ATOM 0 HD12 LEU A 6 -3.065 0.262 -0.573 1.00 22.41 H new ATOM 0 HD13 LEU A 6 -2.583 -0.840 0.739 1.00 22.41 H new ATOM 0 HD21 LEU A 6 -4.257 0.621 2.932 1.00 41.22 H new ATOM 0 HD22 LEU A 6 -2.561 0.179 3.242 1.00 41.22 H new ATOM 0 HD23 LEU A 6 -3.088 1.869 3.424 1.00 41.22 H new ATOM 118 N ILE A 7 -0.116 -1.108 -0.358 1.00 63.23 N ATOM 119 CA ILE A 7 0.369 -1.732 -1.606 1.00 23.21 C ATOM 120 C ILE A 7 -0.804 -2.422 -2.323 1.00 12.13 C ATOM 121 O ILE A 7 -1.636 -3.070 -1.683 1.00 24.30 O ATOM 122 CB ILE A 7 1.520 -2.776 -1.308 1.00 10.50 C ATOM 123 CG1 ILE A 7 2.685 -2.091 -0.520 1.00 42.24 C ATOM 124 CG2 ILE A 7 2.048 -3.438 -2.611 1.00 21.02 C ATOM 125 CD1 ILE A 7 3.725 -3.034 0.021 1.00 13.32 C ATOM 0 H ILE A 7 -0.750 -1.701 0.178 1.00 63.23 H new ATOM 0 HA ILE A 7 0.781 -0.954 -2.249 1.00 23.21 H new ATOM 0 HB ILE A 7 1.098 -3.569 -0.690 1.00 10.50 H new ATOM 0 HG12 ILE A 7 3.174 -1.372 -1.177 1.00 42.24 H new ATOM 0 HG13 ILE A 7 2.260 -1.527 0.310 1.00 42.24 H new ATOM 0 HG21 ILE A 7 2.837 -4.148 -2.364 1.00 21.02 H new ATOM 0 HG22 ILE A 7 1.232 -3.961 -3.110 1.00 21.02 H new ATOM 0 HG23 ILE A 7 2.446 -2.670 -3.274 1.00 21.02 H new ATOM 0 HD11 ILE A 7 4.490 -2.467 0.551 1.00 13.32 H new ATOM 0 HD12 ILE A 7 3.255 -3.739 0.707 1.00 13.32 H new ATOM 0 HD13 ILE A 7 4.184 -3.581 -0.803 1.00 13.32 H new ATOM 137 N ASN A 8 -0.864 -2.255 -3.654 1.00 73.11 N ATOM 138 CA ASN A 8 -1.877 -2.880 -4.519 1.00 51.54 C ATOM 139 C ASN A 8 -1.193 -3.513 -5.724 1.00 51.23 C ATOM 140 O ASN A 8 -0.564 -2.820 -6.512 1.00 2.23 O ATOM 141 CB ASN A 8 -2.909 -1.824 -4.987 1.00 4.34 C ATOM 142 CG ASN A 8 -3.981 -2.317 -5.981 1.00 23.12 C ATOM 143 OD1 ASN A 8 -4.416 -1.556 -6.850 1.00 74.23 O ATOM 144 ND2 ASN A 8 -4.458 -3.550 -5.836 1.00 65.22 N ATOM 0 H ASN A 8 -0.201 -1.674 -4.166 1.00 73.11 H new ATOM 0 HA ASN A 8 -2.403 -3.651 -3.955 1.00 51.54 H new ATOM 0 HB2 ASN A 8 -3.414 -1.425 -4.108 1.00 4.34 H new ATOM 0 HB3 ASN A 8 -2.369 -0.997 -5.447 1.00 4.34 H new ATOM 0 HD21 ASN A 8 -5.200 -3.885 -6.451 1.00 65.22 H new ATOM 0 HD22 ASN A 8 -4.082 -4.160 -5.110 1.00 65.22 H new ATOM 151 N THR A 9 -1.278 -4.840 -5.818 1.00 30.44 N ATOM 152 CA THR A 9 -0.877 -5.600 -7.008 1.00 24.02 C ATOM 153 C THR A 9 -2.054 -6.484 -7.441 1.00 35.04 C ATOM 154 O THR A 9 -2.744 -7.057 -6.595 1.00 20.54 O ATOM 155 CB THR A 9 0.414 -6.456 -6.751 1.00 24.33 C ATOM 156 OG1 THR A 9 0.709 -7.290 -7.891 1.00 70.30 O ATOM 157 CG2 THR A 9 0.305 -7.320 -5.483 1.00 2.21 C ATOM 0 H THR A 9 -1.631 -5.427 -5.062 1.00 30.44 H new ATOM 0 HA THR A 9 -0.625 -4.903 -7.807 1.00 24.02 H new ATOM 0 HB THR A 9 1.231 -5.751 -6.598 1.00 24.33 H new ATOM 0 HG1 THR A 9 0.853 -6.727 -8.680 1.00 70.30 H new ATOM 0 HG21 THR A 9 1.224 -7.892 -5.352 1.00 2.21 H new ATOM 0 HG22 THR A 9 0.151 -6.677 -4.617 1.00 2.21 H new ATOM 0 HG23 THR A 9 -0.537 -8.005 -5.581 1.00 2.21 H new ATOM 165 N ASN A 10 -2.282 -6.581 -8.755 1.00 34.30 N ATOM 166 CA ASN A 10 -3.345 -7.435 -9.328 1.00 50.01 C ATOM 167 C ASN A 10 -2.895 -8.918 -9.341 1.00 53.33 C ATOM 168 O ASN A 10 -3.719 -9.835 -9.452 1.00 22.24 O ATOM 169 CB ASN A 10 -3.681 -6.975 -10.776 1.00 72.24 C ATOM 170 CG ASN A 10 -4.139 -5.511 -10.866 1.00 71.02 C ATOM 171 OD1 ASN A 10 -5.322 -5.207 -10.718 1.00 4.01 O ATOM 172 ND2 ASN A 10 -3.208 -4.592 -11.124 1.00 65.14 N ATOM 0 H ASN A 10 -1.740 -6.074 -9.455 1.00 34.30 H new ATOM 0 HA ASN A 10 -4.237 -7.341 -8.708 1.00 50.01 H new ATOM 0 HB2 ASN A 10 -2.801 -7.111 -11.405 1.00 72.24 H new ATOM 0 HB3 ASN A 10 -4.464 -7.617 -11.180 1.00 72.24 H new ATOM 0 HD21 ASN A 10 -3.470 -3.609 -11.203 1.00 65.14 H new ATOM 0 HD22 ASN A 10 -2.234 -4.872 -11.242 1.00 65.14 H new ATOM 179 N ASN A 11 -1.568 -9.119 -9.203 1.00 4.02 N ATOM 180 CA ASN A 11 -0.903 -10.420 -9.392 1.00 40.52 C ATOM 181 C ASN A 11 -0.699 -11.134 -8.049 1.00 62.14 C ATOM 182 O ASN A 11 -0.061 -10.589 -7.144 1.00 61.42 O ATOM 183 CB ASN A 11 0.458 -10.222 -10.118 1.00 32.30 C ATOM 184 CG ASN A 11 0.308 -9.597 -11.515 1.00 63.01 C ATOM 185 OD1 ASN A 11 -0.493 -8.689 -11.732 1.00 63.24 O ATOM 186 ND2 ASN A 11 1.046 -10.106 -12.478 1.00 53.24 N ATOM 0 H ASN A 11 -0.922 -8.370 -8.954 1.00 4.02 H new ATOM 0 HA ASN A 11 -1.544 -11.048 -10.010 1.00 40.52 H new ATOM 0 HB2 ASN A 11 1.100 -9.586 -9.508 1.00 32.30 H new ATOM 0 HB3 ASN A 11 0.959 -11.186 -10.209 1.00 32.30 H new ATOM 0 HD21 ASN A 11 0.961 -9.748 -13.429 1.00 53.24 H new ATOM 0 HD22 ASN A 11 1.703 -10.859 -12.273 1.00 53.24 H new ATOM 193 N ASP A 12 -1.239 -12.368 -7.962 1.00 21.40 N ATOM 194 CA ASP A 12 -1.212 -13.228 -6.747 1.00 71.54 C ATOM 195 C ASP A 12 0.221 -13.540 -6.282 1.00 51.43 C ATOM 196 O ASP A 12 0.473 -13.722 -5.079 1.00 4.14 O ATOM 197 CB ASP A 12 -1.973 -14.553 -7.020 1.00 43.44 C ATOM 198 CG ASP A 12 -3.417 -14.313 -7.483 1.00 32.43 C ATOM 199 OD1 ASP A 12 -3.640 -14.105 -8.699 1.00 62.10 O ATOM 200 OD2 ASP A 12 -4.336 -14.303 -6.638 1.00 12.54 O ATOM 0 H ASP A 12 -1.717 -12.809 -8.748 1.00 21.40 H new ATOM 0 HA ASP A 12 -1.702 -12.673 -5.947 1.00 71.54 H new ATOM 0 HB2 ASP A 12 -1.441 -15.125 -7.780 1.00 43.44 H new ATOM 0 HB3 ASP A 12 -1.981 -15.158 -6.113 1.00 43.44 H new ATOM 205 N GLU A 13 1.139 -13.601 -7.263 1.00 73.22 N ATOM 206 CA GLU A 13 2.574 -13.837 -7.041 1.00 45.13 C ATOM 207 C GLU A 13 3.164 -12.732 -6.153 1.00 3.11 C ATOM 208 O GLU A 13 3.689 -13.010 -5.078 1.00 33.34 O ATOM 209 CB GLU A 13 3.320 -13.888 -8.403 1.00 44.10 C ATOM 210 CG GLU A 13 2.757 -14.934 -9.382 1.00 13.33 C ATOM 211 CD GLU A 13 3.449 -14.897 -10.751 1.00 54.55 C ATOM 212 OE1 GLU A 13 4.538 -15.493 -10.892 1.00 3.51 O ATOM 213 OE2 GLU A 13 2.912 -14.260 -11.683 1.00 74.21 O ATOM 0 H GLU A 13 0.899 -13.486 -8.248 1.00 73.22 H new ATOM 0 HA GLU A 13 2.699 -14.794 -6.534 1.00 45.13 H new ATOM 0 HB2 GLU A 13 3.272 -12.904 -8.870 1.00 44.10 H new ATOM 0 HB3 GLU A 13 4.373 -14.104 -8.222 1.00 44.10 H new ATOM 0 HG2 GLU A 13 2.870 -15.928 -8.949 1.00 13.33 H new ATOM 0 HG3 GLU A 13 1.689 -14.763 -9.515 1.00 13.33 H new ATOM 220 N LEU A 14 2.994 -11.467 -6.587 1.00 73.14 N ATOM 221 CA LEU A 14 3.597 -10.295 -5.918 1.00 43.10 C ATOM 222 C LEU A 14 3.000 -10.061 -4.525 1.00 75.44 C ATOM 223 O LEU A 14 3.656 -9.463 -3.685 1.00 64.11 O ATOM 224 CB LEU A 14 3.480 -9.006 -6.788 1.00 54.23 C ATOM 225 CG LEU A 14 4.454 -8.895 -8.005 1.00 75.43 C ATOM 226 CD1 LEU A 14 5.931 -8.976 -7.560 1.00 24.21 C ATOM 227 CD2 LEU A 14 4.122 -9.932 -9.102 1.00 70.12 C ATOM 0 H LEU A 14 2.437 -11.229 -7.408 1.00 73.14 H new ATOM 0 HA LEU A 14 4.656 -10.521 -5.794 1.00 43.10 H new ATOM 0 HB2 LEU A 14 2.458 -8.938 -7.162 1.00 54.23 H new ATOM 0 HB3 LEU A 14 3.641 -8.143 -6.142 1.00 54.23 H new ATOM 0 HG LEU A 14 4.308 -7.910 -8.448 1.00 75.43 H new ATOM 0 HD11 LEU A 14 6.579 -8.895 -8.433 1.00 24.21 H new ATOM 0 HD12 LEU A 14 6.148 -8.161 -6.870 1.00 24.21 H new ATOM 0 HD13 LEU A 14 6.109 -9.929 -7.063 1.00 24.21 H new ATOM 0 HD21 LEU A 14 4.822 -9.822 -9.930 1.00 70.12 H new ATOM 0 HD22 LEU A 14 4.204 -10.937 -8.689 1.00 70.12 H new ATOM 0 HD23 LEU A 14 3.106 -9.769 -9.461 1.00 70.12 H new ATOM 239 N ILE A 15 1.760 -10.530 -4.295 1.00 2.15 N ATOM 240 CA ILE A 15 1.122 -10.466 -2.968 1.00 13.35 C ATOM 241 C ILE A 15 1.973 -11.248 -1.945 1.00 52.43 C ATOM 242 O ILE A 15 2.487 -10.656 -0.991 1.00 11.03 O ATOM 243 CB ILE A 15 -0.354 -11.026 -3.010 1.00 21.34 C ATOM 244 CG1 ILE A 15 -1.194 -10.252 -4.074 1.00 22.54 C ATOM 245 CG2 ILE A 15 -1.033 -10.959 -1.617 1.00 73.25 C ATOM 246 CD1 ILE A 15 -2.584 -10.803 -4.321 1.00 23.20 C ATOM 0 H ILE A 15 1.178 -10.959 -5.015 1.00 2.15 H new ATOM 0 HA ILE A 15 1.065 -9.421 -2.663 1.00 13.35 H new ATOM 0 HB ILE A 15 -0.306 -12.077 -3.296 1.00 21.34 H new ATOM 0 HG12 ILE A 15 -1.283 -9.213 -3.758 1.00 22.54 H new ATOM 0 HG13 ILE A 15 -0.647 -10.253 -5.017 1.00 22.54 H new ATOM 0 HG21 ILE A 15 -2.047 -11.353 -1.687 1.00 73.25 H new ATOM 0 HG22 ILE A 15 -0.461 -11.553 -0.904 1.00 73.25 H new ATOM 0 HG23 ILE A 15 -1.069 -9.923 -1.279 1.00 73.25 H new ATOM 0 HD11 ILE A 15 -3.087 -10.198 -5.075 1.00 23.20 H new ATOM 0 HD12 ILE A 15 -2.510 -11.832 -4.672 1.00 23.20 H new ATOM 0 HD13 ILE A 15 -3.156 -10.776 -3.394 1.00 23.20 H new ATOM 258 N LYS A 16 2.184 -12.554 -2.214 1.00 1.43 N ATOM 259 CA LYS A 16 2.909 -13.460 -1.297 1.00 54.43 C ATOM 260 C LYS A 16 4.420 -13.133 -1.234 1.00 42.12 C ATOM 261 O LYS A 16 5.063 -13.379 -0.209 1.00 31.23 O ATOM 262 CB LYS A 16 2.680 -14.949 -1.685 1.00 33.41 C ATOM 263 CG LYS A 16 3.212 -15.371 -3.076 1.00 32.04 C ATOM 264 CD LYS A 16 2.915 -16.848 -3.461 1.00 3.41 C ATOM 265 CE LYS A 16 3.662 -17.893 -2.592 1.00 13.21 C ATOM 266 NZ LYS A 16 3.095 -18.030 -1.220 1.00 11.53 N ATOM 0 H LYS A 16 1.859 -13.008 -3.068 1.00 1.43 H new ATOM 0 HA LYS A 16 2.501 -13.300 -0.299 1.00 54.43 H new ATOM 0 HB2 LYS A 16 3.151 -15.578 -0.930 1.00 33.41 H new ATOM 0 HB3 LYS A 16 1.610 -15.154 -1.648 1.00 33.41 H new ATOM 0 HG2 LYS A 16 2.775 -14.717 -3.831 1.00 32.04 H new ATOM 0 HG3 LYS A 16 4.290 -15.212 -3.102 1.00 32.04 H new ATOM 0 HD2 LYS A 16 1.842 -17.024 -3.380 1.00 3.41 H new ATOM 0 HD3 LYS A 16 3.185 -17.001 -4.506 1.00 3.41 H new ATOM 0 HE2 LYS A 16 3.628 -18.862 -3.091 1.00 13.21 H new ATOM 0 HE3 LYS A 16 4.712 -17.610 -2.517 1.00 13.21 H new ATOM 0 HZ1 LYS A 16 3.740 -17.591 -0.532 1.00 11.53 H new ATOM 0 HZ2 LYS A 16 2.170 -17.557 -1.178 1.00 11.53 H new ATOM 0 HZ3 LYS A 16 2.979 -19.038 -0.991 1.00 11.53 H new ATOM 280 N LYS A 17 4.971 -12.591 -2.342 1.00 31.10 N ATOM 281 CA LYS A 17 6.382 -12.153 -2.422 1.00 1.13 C ATOM 282 C LYS A 17 6.637 -10.970 -1.483 1.00 35.44 C ATOM 283 O LYS A 17 7.496 -11.053 -0.601 1.00 64.12 O ATOM 284 CB LYS A 17 6.752 -11.775 -3.883 1.00 33.42 C ATOM 285 CG LYS A 17 6.805 -12.982 -4.849 1.00 53.21 C ATOM 286 CD LYS A 17 7.043 -12.572 -6.318 1.00 54.31 C ATOM 287 CE LYS A 17 8.370 -11.829 -6.535 1.00 72.31 C ATOM 288 NZ LYS A 17 9.545 -12.676 -6.201 1.00 31.01 N ATOM 0 H LYS A 17 4.450 -12.445 -3.207 1.00 31.10 H new ATOM 0 HA LYS A 17 7.015 -12.983 -2.107 1.00 1.13 H new ATOM 0 HB2 LYS A 17 6.024 -11.055 -4.257 1.00 33.42 H new ATOM 0 HB3 LYS A 17 7.722 -11.278 -3.885 1.00 33.42 H new ATOM 0 HG2 LYS A 17 7.600 -13.658 -4.533 1.00 53.21 H new ATOM 0 HG3 LYS A 17 5.869 -13.536 -4.780 1.00 53.21 H new ATOM 0 HD2 LYS A 17 7.028 -13.464 -6.944 1.00 54.31 H new ATOM 0 HD3 LYS A 17 6.221 -11.937 -6.648 1.00 54.31 H new ATOM 0 HE2 LYS A 17 8.439 -11.507 -7.574 1.00 72.31 H new ATOM 0 HE3 LYS A 17 8.386 -10.929 -5.921 1.00 72.31 H new ATOM 0 HZ1 LYS A 17 10.420 -12.154 -6.410 1.00 31.01 H new ATOM 0 HZ2 LYS A 17 9.521 -12.921 -5.190 1.00 31.01 H new ATOM 0 HZ3 LYS A 17 9.518 -13.547 -6.769 1.00 31.01 H new ATOM 302 N ILE A 18 5.841 -9.895 -1.668 1.00 61.41 N ATOM 303 CA ILE A 18 5.963 -8.641 -0.897 1.00 74.33 C ATOM 304 C ILE A 18 5.724 -8.896 0.606 1.00 4.15 C ATOM 305 O ILE A 18 6.377 -8.260 1.436 1.00 63.21 O ATOM 306 CB ILE A 18 5.003 -7.517 -1.471 1.00 24.22 C ATOM 307 CG1 ILE A 18 5.474 -7.080 -2.902 1.00 60.01 C ATOM 308 CG2 ILE A 18 4.905 -6.291 -0.532 1.00 2.25 C ATOM 309 CD1 ILE A 18 4.552 -6.111 -3.634 1.00 43.02 C ATOM 0 H ILE A 18 5.092 -9.874 -2.360 1.00 61.41 H new ATOM 0 HA ILE A 18 6.983 -8.272 -1.006 1.00 74.33 H new ATOM 0 HB ILE A 18 4.003 -7.947 -1.538 1.00 24.22 H new ATOM 0 HG12 ILE A 18 6.459 -6.621 -2.816 1.00 60.01 H new ATOM 0 HG13 ILE A 18 5.592 -7.974 -3.515 1.00 60.01 H new ATOM 0 HG21 ILE A 18 4.236 -5.550 -0.970 1.00 2.25 H new ATOM 0 HG22 ILE A 18 4.515 -6.605 0.436 1.00 2.25 H new ATOM 0 HG23 ILE A 18 5.895 -5.854 -0.400 1.00 2.25 H new ATOM 0 HD11 ILE A 18 4.973 -5.876 -4.612 1.00 43.02 H new ATOM 0 HD12 ILE A 18 3.571 -6.569 -3.762 1.00 43.02 H new ATOM 0 HD13 ILE A 18 4.452 -5.195 -3.052 1.00 43.02 H new ATOM 321 N LYS A 19 4.829 -9.870 0.939 1.00 2.45 N ATOM 322 CA LYS A 19 4.613 -10.323 2.335 1.00 11.21 C ATOM 323 C LYS A 19 5.952 -10.689 3.009 1.00 62.43 C ATOM 324 O LYS A 19 6.213 -10.288 4.141 1.00 32.42 O ATOM 325 CB LYS A 19 3.648 -11.551 2.404 1.00 22.23 C ATOM 326 CG LYS A 19 2.173 -11.246 2.075 1.00 32.12 C ATOM 327 CD LYS A 19 1.262 -12.492 2.207 1.00 60.32 C ATOM 328 CE LYS A 19 -0.217 -12.179 1.929 1.00 65.51 C ATOM 329 NZ LYS A 19 -1.089 -13.365 2.142 1.00 12.12 N ATOM 0 H LYS A 19 4.247 -10.354 0.255 1.00 2.45 H new ATOM 0 HA LYS A 19 4.154 -9.491 2.869 1.00 11.21 H new ATOM 0 HB2 LYS A 19 4.007 -12.314 1.714 1.00 22.23 H new ATOM 0 HB3 LYS A 19 3.699 -11.977 3.406 1.00 22.23 H new ATOM 0 HG2 LYS A 19 1.810 -10.463 2.742 1.00 32.12 H new ATOM 0 HG3 LYS A 19 2.104 -10.857 1.059 1.00 32.12 H new ATOM 0 HD2 LYS A 19 1.603 -13.261 1.514 1.00 60.32 H new ATOM 0 HD3 LYS A 19 1.359 -12.903 3.212 1.00 60.32 H new ATOM 0 HE2 LYS A 19 -0.544 -11.368 2.579 1.00 65.51 H new ATOM 0 HE3 LYS A 19 -0.326 -11.829 0.903 1.00 65.51 H new ATOM 0 HZ1 LYS A 19 -1.487 -13.671 1.231 1.00 12.12 H new ATOM 0 HZ2 LYS A 19 -0.528 -14.139 2.553 1.00 12.12 H new ATOM 0 HZ3 LYS A 19 -1.862 -13.115 2.791 1.00 12.12 H new ATOM 343 N LYS A 20 6.800 -11.424 2.273 1.00 24.44 N ATOM 344 CA LYS A 20 8.073 -11.953 2.787 1.00 61.14 C ATOM 345 C LYS A 20 9.166 -10.867 2.814 1.00 41.24 C ATOM 346 O LYS A 20 9.917 -10.771 3.792 1.00 14.15 O ATOM 347 CB LYS A 20 8.516 -13.176 1.937 1.00 43.31 C ATOM 348 CG LYS A 20 7.480 -14.330 1.881 1.00 44.03 C ATOM 349 CD LYS A 20 7.062 -14.869 3.274 1.00 1.12 C ATOM 350 CE LYS A 20 8.218 -15.519 4.056 1.00 73.14 C ATOM 351 NZ LYS A 20 8.751 -16.737 3.388 1.00 54.13 N ATOM 0 H LYS A 20 6.621 -11.669 1.299 1.00 24.44 H new ATOM 0 HA LYS A 20 7.922 -12.278 3.816 1.00 61.14 H new ATOM 0 HB2 LYS A 20 8.722 -12.840 0.921 1.00 43.31 H new ATOM 0 HB3 LYS A 20 9.451 -13.564 2.341 1.00 43.31 H new ATOM 0 HG2 LYS A 20 6.591 -13.981 1.356 1.00 44.03 H new ATOM 0 HG3 LYS A 20 7.896 -15.150 1.295 1.00 44.03 H new ATOM 0 HD2 LYS A 20 6.652 -14.049 3.863 1.00 1.12 H new ATOM 0 HD3 LYS A 20 6.264 -15.601 3.147 1.00 1.12 H new ATOM 0 HE2 LYS A 20 9.023 -14.794 4.176 1.00 73.14 H new ATOM 0 HE3 LYS A 20 7.873 -15.780 5.056 1.00 73.14 H new ATOM 0 HZ1 LYS A 20 9.492 -17.162 3.981 1.00 54.13 H new ATOM 0 HZ2 LYS A 20 7.981 -17.423 3.251 1.00 54.13 H new ATOM 0 HZ3 LYS A 20 9.153 -16.479 2.464 1.00 54.13 H new ATOM 365 N GLU A 21 9.259 -10.082 1.718 1.00 73.54 N ATOM 366 CA GLU A 21 10.203 -8.939 1.604 1.00 30.22 C ATOM 367 C GLU A 21 10.137 -8.007 2.834 1.00 5.23 C ATOM 368 O GLU A 21 11.149 -7.724 3.478 1.00 74.40 O ATOM 369 CB GLU A 21 9.920 -8.103 0.313 1.00 0.41 C ATOM 370 CG GLU A 21 9.878 -8.912 -0.998 1.00 52.34 C ATOM 371 CD GLU A 21 11.099 -9.822 -1.199 1.00 22.34 C ATOM 372 OE1 GLU A 21 12.182 -9.306 -1.541 1.00 4.53 O ATOM 373 OE2 GLU A 21 10.988 -11.053 -0.995 1.00 12.14 O ATOM 0 H GLU A 21 8.684 -10.219 0.887 1.00 73.54 H new ATOM 0 HA GLU A 21 11.203 -9.369 1.549 1.00 30.22 H new ATOM 0 HB2 GLU A 21 8.967 -7.589 0.434 1.00 0.41 H new ATOM 0 HB3 GLU A 21 10.687 -7.334 0.222 1.00 0.41 H new ATOM 0 HG2 GLU A 21 8.975 -9.522 -1.010 1.00 52.34 H new ATOM 0 HG3 GLU A 21 9.807 -8.222 -1.839 1.00 52.34 H new ATOM 380 N VAL A 22 8.910 -7.592 3.168 1.00 33.40 N ATOM 381 CA VAL A 22 8.644 -6.558 4.190 1.00 23.43 C ATOM 382 C VAL A 22 8.593 -7.160 5.611 1.00 24.02 C ATOM 383 O VAL A 22 8.744 -6.434 6.610 1.00 11.31 O ATOM 384 CB VAL A 22 7.319 -5.796 3.848 1.00 61.35 C ATOM 385 CG1 VAL A 22 7.333 -5.331 2.372 1.00 11.14 C ATOM 386 CG2 VAL A 22 6.061 -6.644 4.140 1.00 54.53 C ATOM 0 H VAL A 22 8.063 -7.963 2.737 1.00 33.40 H new ATOM 0 HA VAL A 22 9.469 -5.846 4.178 1.00 23.43 H new ATOM 0 HB VAL A 22 7.271 -4.922 4.498 1.00 61.35 H new ATOM 0 HG11 VAL A 22 6.406 -4.803 2.148 1.00 11.14 H new ATOM 0 HG12 VAL A 22 8.179 -4.664 2.209 1.00 11.14 H new ATOM 0 HG13 VAL A 22 7.423 -6.198 1.718 1.00 11.14 H new ATOM 0 HG21 VAL A 22 5.169 -6.071 3.886 1.00 54.53 H new ATOM 0 HG22 VAL A 22 6.089 -7.555 3.542 1.00 54.53 H new ATOM 0 HG23 VAL A 22 6.036 -6.905 5.198 1.00 54.53 H new ATOM 396 N GLU A 23 8.372 -8.490 5.674 1.00 2.53 N ATOM 397 CA GLU A 23 8.450 -9.288 6.913 1.00 23.32 C ATOM 398 C GLU A 23 9.839 -9.141 7.555 1.00 73.21 C ATOM 399 O GLU A 23 9.959 -8.875 8.753 1.00 21.33 O ATOM 400 CB GLU A 23 8.172 -10.771 6.571 1.00 11.23 C ATOM 401 CG GLU A 23 8.390 -11.768 7.723 1.00 21.50 C ATOM 402 CD GLU A 23 8.177 -13.223 7.291 1.00 33.42 C ATOM 403 OE1 GLU A 23 9.136 -13.849 6.798 1.00 12.35 O ATOM 404 OE2 GLU A 23 7.050 -13.742 7.434 1.00 52.24 O ATOM 0 H GLU A 23 8.131 -9.046 4.854 1.00 2.53 H new ATOM 0 HA GLU A 23 7.706 -8.931 7.626 1.00 23.32 H new ATOM 0 HB2 GLU A 23 7.141 -10.860 6.227 1.00 11.23 H new ATOM 0 HB3 GLU A 23 8.812 -11.060 5.737 1.00 11.23 H new ATOM 0 HG2 GLU A 23 9.402 -11.653 8.112 1.00 21.50 H new ATOM 0 HG3 GLU A 23 7.706 -11.531 8.538 1.00 21.50 H new ATOM 411 N ASN A 24 10.877 -9.271 6.708 1.00 31.24 N ATOM 412 CA ASN A 24 12.291 -9.182 7.121 1.00 50.30 C ATOM 413 C ASN A 24 12.756 -7.714 7.308 1.00 11.04 C ATOM 414 O ASN A 24 13.925 -7.472 7.627 1.00 42.50 O ATOM 415 CB ASN A 24 13.190 -9.913 6.077 1.00 4.14 C ATOM 416 CG ASN A 24 13.013 -11.437 6.109 1.00 24.21 C ATOM 417 OD1 ASN A 24 13.734 -12.144 6.810 1.00 44.10 O ATOM 418 ND2 ASN A 24 12.051 -11.954 5.364 1.00 11.34 N ATOM 0 H ASN A 24 10.757 -9.442 5.710 1.00 31.24 H new ATOM 0 HA ASN A 24 12.387 -9.670 8.091 1.00 50.30 H new ATOM 0 HB2 ASN A 24 12.954 -9.545 5.079 1.00 4.14 H new ATOM 0 HB3 ASN A 24 14.235 -9.668 6.268 1.00 4.14 H new ATOM 0 HD21 ASN A 24 11.893 -12.962 5.362 1.00 11.34 H new ATOM 0 HD22 ASN A 24 11.467 -11.345 4.791 1.00 11.34 H new ATOM 425 N GLN A 25 11.837 -6.744 7.102 1.00 13.44 N ATOM 426 CA GLN A 25 12.118 -5.291 7.263 1.00 45.22 C ATOM 427 C GLN A 25 11.419 -4.712 8.516 1.00 14.50 C ATOM 428 O GLN A 25 11.507 -3.508 8.766 1.00 34.21 O ATOM 429 CB GLN A 25 11.662 -4.512 5.995 1.00 22.40 C ATOM 430 CG GLN A 25 12.306 -4.981 4.673 1.00 70.05 C ATOM 431 CD GLN A 25 13.822 -4.774 4.608 1.00 44.33 C ATOM 432 OE1 GLN A 25 14.297 -3.718 4.194 1.00 62.23 O ATOM 433 NE2 GLN A 25 14.587 -5.789 4.971 1.00 2.23 N ATOM 0 H GLN A 25 10.877 -6.942 6.819 1.00 13.44 H new ATOM 0 HA GLN A 25 13.194 -5.174 7.393 1.00 45.22 H new ATOM 0 HB2 GLN A 25 10.579 -4.598 5.904 1.00 22.40 H new ATOM 0 HB3 GLN A 25 11.887 -3.455 6.136 1.00 22.40 H new ATOM 0 HG2 GLN A 25 12.088 -6.040 4.531 1.00 70.05 H new ATOM 0 HG3 GLN A 25 11.841 -4.446 3.845 1.00 70.05 H new ATOM 0 HE21 GLN A 25 14.162 -6.652 5.310 1.00 2.23 H new ATOM 0 HE22 GLN A 25 15.602 -5.709 4.912 1.00 2.23 H new ATOM 442 N GLY A 26 10.725 -5.568 9.290 1.00 2.15 N ATOM 443 CA GLY A 26 10.087 -5.154 10.552 1.00 33.22 C ATOM 444 C GLY A 26 8.705 -4.520 10.397 1.00 41.04 C ATOM 445 O GLY A 26 8.215 -3.885 11.341 1.00 71.03 O ATOM 0 H GLY A 26 10.592 -6.553 9.061 1.00 2.15 H new ATOM 0 HA2 GLY A 26 10.000 -6.025 11.201 1.00 33.22 H new ATOM 0 HA3 GLY A 26 10.742 -4.444 11.057 1.00 33.22 H new ATOM 449 N TYR A 27 8.076 -4.697 9.218 1.00 23.04 N ATOM 450 CA TYR A 27 6.716 -4.176 8.936 1.00 70.12 C ATOM 451 C TYR A 27 5.685 -5.310 9.074 1.00 12.11 C ATOM 452 O TYR A 27 5.823 -6.367 8.439 1.00 61.55 O ATOM 453 CB TYR A 27 6.660 -3.523 7.522 1.00 44.43 C ATOM 454 CG TYR A 27 7.454 -2.202 7.427 1.00 61.33 C ATOM 455 CD1 TYR A 27 8.849 -2.207 7.340 1.00 24.23 C ATOM 456 CD2 TYR A 27 6.813 -0.954 7.457 1.00 33.23 C ATOM 457 CE1 TYR A 27 9.574 -1.030 7.281 1.00 53.01 C ATOM 458 CE2 TYR A 27 7.538 0.226 7.398 1.00 74.44 C ATOM 459 CZ TYR A 27 8.915 0.181 7.309 1.00 0.33 C ATOM 460 OH TYR A 27 9.641 1.357 7.250 1.00 43.15 O ATOM 0 H TYR A 27 8.491 -5.202 8.435 1.00 23.04 H new ATOM 0 HA TYR A 27 6.472 -3.401 9.663 1.00 70.12 H new ATOM 0 HB2 TYR A 27 7.052 -4.228 6.788 1.00 44.43 H new ATOM 0 HB3 TYR A 27 5.620 -3.333 7.258 1.00 44.43 H new ATOM 0 HD1 TYR A 27 9.373 -3.151 7.318 1.00 24.23 H new ATOM 0 HD2 TYR A 27 5.736 -0.912 7.527 1.00 33.23 H new ATOM 0 HE1 TYR A 27 10.651 -1.060 7.213 1.00 53.01 H new ATOM 0 HE2 TYR A 27 7.027 1.177 7.422 1.00 74.44 H new ATOM 0 HH TYR A 27 10.301 1.298 6.528 1.00 43.15 H new ATOM 470 N GLN A 28 4.676 -5.075 9.935 1.00 13.41 N ATOM 471 CA GLN A 28 3.635 -6.058 10.274 1.00 43.54 C ATOM 472 C GLN A 28 2.645 -6.183 9.105 1.00 63.50 C ATOM 473 O GLN A 28 1.841 -5.272 8.860 1.00 74.42 O ATOM 474 CB GLN A 28 2.897 -5.670 11.598 1.00 42.41 C ATOM 475 CG GLN A 28 3.711 -5.869 12.905 1.00 41.32 C ATOM 476 CD GLN A 28 4.997 -5.040 12.964 1.00 50.42 C ATOM 477 OE1 GLN A 28 5.000 -3.898 13.422 1.00 43.31 O ATOM 478 NE2 GLN A 28 6.110 -5.626 12.544 1.00 55.32 N ATOM 0 H GLN A 28 4.562 -4.185 10.420 1.00 13.41 H new ATOM 0 HA GLN A 28 4.108 -7.025 10.442 1.00 43.54 H new ATOM 0 HB2 GLN A 28 2.599 -4.624 11.533 1.00 42.41 H new ATOM 0 HB3 GLN A 28 1.982 -6.258 11.668 1.00 42.41 H new ATOM 0 HG2 GLN A 28 3.083 -5.609 13.757 1.00 41.32 H new ATOM 0 HG3 GLN A 28 3.965 -6.924 13.007 1.00 41.32 H new ATOM 0 HE21 GLN A 28 6.077 -6.574 12.169 1.00 55.32 H new ATOM 0 HE22 GLN A 28 6.999 -5.129 12.596 1.00 55.32 H new ATOM 487 N VAL A 29 2.728 -7.319 8.393 1.00 43.31 N ATOM 488 CA VAL A 29 1.981 -7.554 7.153 1.00 53.43 C ATOM 489 C VAL A 29 0.521 -7.934 7.459 1.00 72.12 C ATOM 490 O VAL A 29 0.254 -8.779 8.319 1.00 40.03 O ATOM 491 CB VAL A 29 2.604 -8.705 6.269 1.00 71.34 C ATOM 492 CG1 VAL A 29 2.058 -8.641 4.816 1.00 23.34 C ATOM 493 CG2 VAL A 29 4.147 -8.684 6.299 1.00 65.21 C ATOM 0 H VAL A 29 3.320 -8.103 8.666 1.00 43.31 H new ATOM 0 HA VAL A 29 2.032 -6.618 6.597 1.00 53.43 H new ATOM 0 HB VAL A 29 2.296 -9.657 6.702 1.00 71.34 H new ATOM 0 HG11 VAL A 29 2.501 -9.443 4.225 1.00 23.34 H new ATOM 0 HG12 VAL A 29 0.974 -8.756 4.829 1.00 23.34 H new ATOM 0 HG13 VAL A 29 2.316 -7.679 4.373 1.00 23.34 H new ATOM 0 HG21 VAL A 29 4.534 -9.492 5.678 1.00 65.21 H new ATOM 0 HG22 VAL A 29 4.505 -7.728 5.916 1.00 65.21 H new ATOM 0 HG23 VAL A 29 4.493 -8.817 7.324 1.00 65.21 H new ATOM 503 N ARG A 30 -0.401 -7.280 6.758 1.00 4.31 N ATOM 504 CA ARG A 30 -1.813 -7.669 6.670 1.00 43.31 C ATOM 505 C ARG A 30 -2.179 -7.743 5.189 1.00 32.40 C ATOM 506 O ARG A 30 -1.592 -7.033 4.369 1.00 72.13 O ATOM 507 CB ARG A 30 -2.725 -6.632 7.389 1.00 63.13 C ATOM 508 CG ARG A 30 -2.585 -6.579 8.927 1.00 25.14 C ATOM 509 CD ARG A 30 -2.919 -7.926 9.599 1.00 35.22 C ATOM 510 NE ARG A 30 -3.004 -7.807 11.068 1.00 71.12 N ATOM 511 CZ ARG A 30 -2.212 -8.430 11.958 1.00 13.32 C ATOM 512 NH1 ARG A 30 -1.237 -9.250 11.559 1.00 64.34 N ATOM 513 NH2 ARG A 30 -2.418 -8.238 13.250 1.00 70.40 N ATOM 0 H ARG A 30 -0.185 -6.441 6.219 1.00 4.31 H new ATOM 0 HA ARG A 30 -1.962 -8.632 7.159 1.00 43.31 H new ATOM 0 HB2 ARG A 30 -2.508 -5.642 6.987 1.00 63.13 H new ATOM 0 HB3 ARG A 30 -3.763 -6.855 7.143 1.00 63.13 H new ATOM 0 HG2 ARG A 30 -1.566 -6.291 9.186 1.00 25.14 H new ATOM 0 HG3 ARG A 30 -3.245 -5.807 9.322 1.00 25.14 H new ATOM 0 HD2 ARG A 30 -3.866 -8.300 9.210 1.00 35.22 H new ATOM 0 HD3 ARG A 30 -2.156 -8.660 9.339 1.00 35.22 H new ATOM 0 HE ARG A 30 -3.730 -7.196 11.442 1.00 71.12 H new ATOM 0 HH11 ARG A 30 -1.083 -9.413 10.564 1.00 64.34 H new ATOM 0 HH12 ARG A 30 -0.646 -9.714 12.249 1.00 64.34 H new ATOM 0 HH21 ARG A 30 -3.170 -7.623 13.561 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -1.824 -8.705 13.936 1.00 70.40 H new ATOM 527 N ASP A 31 -3.123 -8.620 4.847 1.00 61.11 N ATOM 528 CA ASP A 31 -3.742 -8.646 3.511 1.00 23.51 C ATOM 529 C ASP A 31 -5.257 -8.494 3.667 1.00 4.11 C ATOM 530 O ASP A 31 -5.852 -9.004 4.626 1.00 51.25 O ATOM 531 CB ASP A 31 -3.377 -9.928 2.704 1.00 44.22 C ATOM 532 CG ASP A 31 -3.853 -11.237 3.360 1.00 13.13 C ATOM 533 OD1 ASP A 31 -3.115 -11.799 4.198 1.00 75.43 O ATOM 534 OD2 ASP A 31 -4.966 -11.717 3.040 1.00 25.45 O ATOM 0 H ASP A 31 -3.483 -9.332 5.482 1.00 61.11 H new ATOM 0 HA ASP A 31 -3.346 -7.812 2.931 1.00 23.51 H new ATOM 0 HB2 ASP A 31 -3.812 -9.854 1.707 1.00 44.22 H new ATOM 0 HB3 ASP A 31 -2.295 -9.969 2.577 1.00 44.22 H new ATOM 539 N VAL A 32 -5.858 -7.746 2.735 1.00 30.42 N ATOM 540 CA VAL A 32 -7.296 -7.476 2.692 1.00 22.53 C ATOM 541 C VAL A 32 -7.835 -7.971 1.338 1.00 61.01 C ATOM 542 O VAL A 32 -7.445 -7.468 0.282 1.00 24.12 O ATOM 543 CB VAL A 32 -7.573 -5.932 2.885 1.00 62.03 C ATOM 544 CG1 VAL A 32 -9.049 -5.563 2.594 1.00 10.30 C ATOM 545 CG2 VAL A 32 -7.158 -5.475 4.312 1.00 62.22 C ATOM 0 H VAL A 32 -5.345 -7.302 1.973 1.00 30.42 H new ATOM 0 HA VAL A 32 -7.804 -8.000 3.502 1.00 22.53 H new ATOM 0 HB VAL A 32 -6.961 -5.399 2.157 1.00 62.03 H new ATOM 0 HG11 VAL A 32 -9.192 -4.492 2.740 1.00 10.30 H new ATOM 0 HG12 VAL A 32 -9.293 -5.825 1.565 1.00 10.30 H new ATOM 0 HG13 VAL A 32 -9.702 -6.112 3.273 1.00 10.30 H new ATOM 0 HG21 VAL A 32 -7.357 -4.409 4.425 1.00 62.22 H new ATOM 0 HG22 VAL A 32 -7.731 -6.031 5.053 1.00 62.22 H new ATOM 0 HG23 VAL A 32 -6.095 -5.664 4.460 1.00 62.22 H new ATOM 555 N ASN A 33 -8.703 -8.992 1.394 1.00 0.30 N ATOM 556 CA ASN A 33 -9.378 -9.575 0.217 1.00 71.35 C ATOM 557 C ASN A 33 -10.887 -9.277 0.243 1.00 61.14 C ATOM 558 O ASN A 33 -11.603 -9.669 -0.686 1.00 63.12 O ATOM 559 CB ASN A 33 -9.132 -11.117 0.173 1.00 72.20 C ATOM 560 CG ASN A 33 -7.710 -11.504 -0.242 1.00 64.41 C ATOM 561 OD1 ASN A 33 -7.438 -11.719 -1.423 1.00 31.34 O ATOM 562 ND2 ASN A 33 -6.794 -11.595 0.713 1.00 52.22 N ATOM 0 H ASN A 33 -8.962 -9.445 2.270 1.00 0.30 H new ATOM 0 HA ASN A 33 -8.960 -9.120 -0.681 1.00 71.35 H new ATOM 0 HB2 ASN A 33 -9.340 -11.537 1.157 1.00 72.20 H new ATOM 0 HB3 ASN A 33 -9.839 -11.569 -0.523 1.00 72.20 H new ATOM 0 HD21 ASN A 33 -5.835 -11.849 0.477 1.00 52.22 H new ATOM 0 HD22 ASN A 33 -7.049 -11.411 1.683 1.00 52.22 H new ATOM 569 N ASP A 34 -11.374 -8.589 1.298 1.00 41.33 N ATOM 570 CA ASP A 34 -12.809 -8.251 1.425 1.00 71.22 C ATOM 571 C ASP A 34 -12.989 -6.946 2.212 1.00 35.04 C ATOM 572 O ASP A 34 -12.121 -6.562 3.005 1.00 71.33 O ATOM 573 CB ASP A 34 -13.583 -9.419 2.106 1.00 14.23 C ATOM 574 CG ASP A 34 -15.115 -9.281 1.976 1.00 41.43 C ATOM 575 OD1 ASP A 34 -15.636 -9.484 0.859 1.00 3.23 O ATOM 576 OD2 ASP A 34 -15.799 -8.954 2.974 1.00 74.15 O ATOM 0 H ASP A 34 -10.797 -8.258 2.071 1.00 41.33 H new ATOM 0 HA ASP A 34 -13.220 -8.103 0.426 1.00 71.22 H new ATOM 0 HB2 ASP A 34 -13.269 -10.364 1.662 1.00 14.23 H new ATOM 0 HB3 ASP A 34 -13.315 -9.459 3.162 1.00 14.23 H new ATOM 581 N SER A 35 -14.129 -6.270 1.977 1.00 2.21 N ATOM 582 CA SER A 35 -14.510 -5.020 2.659 1.00 70.11 C ATOM 583 C SER A 35 -14.635 -5.197 4.191 1.00 22.44 C ATOM 584 O SER A 35 -14.410 -4.247 4.947 1.00 62.12 O ATOM 585 CB SER A 35 -15.823 -4.495 2.034 1.00 4.21 C ATOM 586 OG SER A 35 -16.832 -5.496 2.024 1.00 31.13 O ATOM 0 H SER A 35 -14.822 -6.582 1.297 1.00 2.21 H new ATOM 0 HA SER A 35 -13.718 -4.285 2.514 1.00 70.11 H new ATOM 0 HB2 SER A 35 -16.174 -3.629 2.596 1.00 4.21 H new ATOM 0 HB3 SER A 35 -15.633 -4.158 1.015 1.00 4.21 H new ATOM 0 HG SER A 35 -17.650 -5.132 1.624 1.00 31.13 H new ATOM 592 N ASP A 36 -14.983 -6.429 4.624 1.00 10.55 N ATOM 593 CA ASP A 36 -14.983 -6.806 6.048 1.00 63.05 C ATOM 594 C ASP A 36 -13.567 -6.662 6.621 1.00 2.30 C ATOM 595 O ASP A 36 -13.376 -5.938 7.595 1.00 13.42 O ATOM 596 CB ASP A 36 -15.508 -8.254 6.237 1.00 13.22 C ATOM 597 CG ASP A 36 -15.551 -8.698 7.715 1.00 62.44 C ATOM 598 OD1 ASP A 36 -16.529 -8.354 8.418 1.00 41.12 O ATOM 599 OD2 ASP A 36 -14.616 -9.386 8.181 1.00 33.23 O ATOM 0 H ASP A 36 -15.269 -7.182 3.999 1.00 10.55 H new ATOM 0 HA ASP A 36 -15.653 -6.137 6.588 1.00 63.05 H new ATOM 0 HB2 ASP A 36 -16.509 -8.329 5.813 1.00 13.22 H new ATOM 0 HB3 ASP A 36 -14.873 -8.940 5.677 1.00 13.22 H new ATOM 604 N GLU A 37 -12.585 -7.290 5.928 1.00 2.21 N ATOM 605 CA GLU A 37 -11.157 -7.316 6.345 1.00 34.34 C ATOM 606 C GLU A 37 -10.590 -5.889 6.447 1.00 13.22 C ATOM 607 O GLU A 37 -9.786 -5.579 7.341 1.00 44.44 O ATOM 608 CB GLU A 37 -10.324 -8.141 5.322 1.00 11.44 C ATOM 609 CG GLU A 37 -10.727 -9.621 5.205 1.00 51.22 C ATOM 610 CD GLU A 37 -10.477 -10.425 6.494 1.00 54.13 C ATOM 611 OE1 GLU A 37 -9.311 -10.809 6.755 1.00 43.41 O ATOM 612 OE2 GLU A 37 -11.436 -10.681 7.253 1.00 74.23 O ATOM 0 H GLU A 37 -12.760 -7.796 5.060 1.00 2.21 H new ATOM 0 HA GLU A 37 -11.094 -7.783 7.328 1.00 34.34 H new ATOM 0 HB2 GLU A 37 -10.416 -7.675 4.341 1.00 11.44 H new ATOM 0 HB3 GLU A 37 -9.272 -8.087 5.603 1.00 11.44 H new ATOM 0 HG2 GLU A 37 -11.784 -9.683 4.946 1.00 51.22 H new ATOM 0 HG3 GLU A 37 -10.171 -10.078 4.387 1.00 51.22 H new ATOM 619 N LEU A 38 -11.041 -5.040 5.504 1.00 61.11 N ATOM 620 CA LEU A 38 -10.751 -3.602 5.476 1.00 3.15 C ATOM 621 C LEU A 38 -11.143 -2.953 6.809 1.00 54.31 C ATOM 622 O LEU A 38 -10.286 -2.390 7.492 1.00 64.33 O ATOM 623 CB LEU A 38 -11.503 -2.967 4.269 1.00 31.14 C ATOM 624 CG LEU A 38 -11.590 -1.388 4.200 1.00 21.42 C ATOM 625 CD1 LEU A 38 -11.342 -0.882 2.779 1.00 21.05 C ATOM 626 CD2 LEU A 38 -12.960 -0.845 4.696 1.00 24.45 C ATOM 0 H LEU A 38 -11.628 -5.345 4.727 1.00 61.11 H new ATOM 0 HA LEU A 38 -9.682 -3.432 5.347 1.00 3.15 H new ATOM 0 HB2 LEU A 38 -11.023 -3.316 3.355 1.00 31.14 H new ATOM 0 HB3 LEU A 38 -12.520 -3.359 4.265 1.00 31.14 H new ATOM 0 HG LEU A 38 -10.811 -1.016 4.865 1.00 21.42 H new ATOM 0 HD11 LEU A 38 -11.408 0.206 2.763 1.00 21.05 H new ATOM 0 HD12 LEU A 38 -10.349 -1.190 2.451 1.00 21.05 H new ATOM 0 HD13 LEU A 38 -12.092 -1.301 2.108 1.00 21.05 H new ATOM 0 HD21 LEU A 38 -12.966 0.243 4.628 1.00 24.45 H new ATOM 0 HD22 LEU A 38 -13.759 -1.252 4.076 1.00 24.45 H new ATOM 0 HD23 LEU A 38 -13.116 -1.144 5.732 1.00 24.45 H new ATOM 638 N LYS A 39 -12.434 -3.103 7.180 1.00 22.13 N ATOM 639 CA LYS A 39 -13.005 -2.537 8.420 1.00 51.24 C ATOM 640 C LYS A 39 -12.241 -3.023 9.671 1.00 63.24 C ATOM 641 O LYS A 39 -11.988 -2.227 10.580 1.00 43.11 O ATOM 642 CB LYS A 39 -14.505 -2.913 8.535 1.00 30.05 C ATOM 643 CG LYS A 39 -15.399 -2.344 7.411 1.00 22.54 C ATOM 644 CD LYS A 39 -16.833 -2.938 7.422 1.00 70.53 C ATOM 645 CE LYS A 39 -17.622 -2.634 8.714 1.00 31.32 C ATOM 646 NZ LYS A 39 -18.966 -3.281 8.708 1.00 41.33 N ATOM 0 H LYS A 39 -13.112 -3.623 6.623 1.00 22.13 H new ATOM 0 HA LYS A 39 -12.906 -1.453 8.368 1.00 51.24 H new ATOM 0 HB2 LYS A 39 -14.594 -3.999 8.538 1.00 30.05 H new ATOM 0 HB3 LYS A 39 -14.882 -2.560 9.495 1.00 30.05 H new ATOM 0 HG2 LYS A 39 -15.459 -1.261 7.514 1.00 22.54 H new ATOM 0 HG3 LYS A 39 -14.934 -2.547 6.446 1.00 22.54 H new ATOM 0 HD2 LYS A 39 -17.386 -2.545 6.569 1.00 70.53 H new ATOM 0 HD3 LYS A 39 -16.770 -4.018 7.291 1.00 70.53 H new ATOM 0 HE2 LYS A 39 -17.055 -2.983 9.577 1.00 31.32 H new ATOM 0 HE3 LYS A 39 -17.738 -1.556 8.824 1.00 31.32 H new ATOM 0 HZ1 LYS A 39 -19.465 -3.053 9.592 1.00 41.33 H new ATOM 0 HZ2 LYS A 39 -19.517 -2.929 7.899 1.00 41.33 H new ATOM 0 HZ3 LYS A 39 -18.855 -4.312 8.629 1.00 41.33 H new ATOM 660 N LYS A 40 -11.852 -4.324 9.672 1.00 15.24 N ATOM 661 CA LYS A 40 -11.169 -4.965 10.817 1.00 62.34 C ATOM 662 C LYS A 40 -9.818 -4.284 11.086 1.00 42.31 C ATOM 663 O LYS A 40 -9.466 -4.023 12.239 1.00 74.41 O ATOM 664 CB LYS A 40 -10.930 -6.495 10.586 1.00 63.10 C ATOM 665 CG LYS A 40 -12.151 -7.297 10.085 1.00 12.31 C ATOM 666 CD LYS A 40 -13.396 -7.260 11.007 1.00 4.24 C ATOM 667 CE LYS A 40 -13.242 -8.117 12.269 1.00 10.12 C ATOM 668 NZ LYS A 40 -14.484 -8.129 13.081 1.00 3.24 N ATOM 0 H LYS A 40 -12.004 -4.952 8.882 1.00 15.24 H new ATOM 0 HA LYS A 40 -11.827 -4.849 11.678 1.00 62.34 H new ATOM 0 HB2 LYS A 40 -10.121 -6.612 9.865 1.00 63.10 H new ATOM 0 HB3 LYS A 40 -10.589 -6.936 11.523 1.00 63.10 H new ATOM 0 HG2 LYS A 40 -12.436 -6.917 9.104 1.00 12.31 H new ATOM 0 HG3 LYS A 40 -11.851 -8.336 9.950 1.00 12.31 H new ATOM 0 HD2 LYS A 40 -13.593 -6.228 11.299 1.00 4.24 H new ATOM 0 HD3 LYS A 40 -14.265 -7.604 10.446 1.00 4.24 H new ATOM 0 HE2 LYS A 40 -12.983 -9.137 11.986 1.00 10.12 H new ATOM 0 HE3 LYS A 40 -12.418 -7.734 12.871 1.00 10.12 H new ATOM 0 HZ1 LYS A 40 -14.341 -8.719 13.926 1.00 3.24 H new ATOM 0 HZ2 LYS A 40 -14.718 -7.158 13.372 1.00 3.24 H new ATOM 0 HZ3 LYS A 40 -15.265 -8.518 12.515 1.00 3.24 H new ATOM 682 N GLU A 41 -9.064 -4.006 10.003 1.00 44.14 N ATOM 683 CA GLU A 41 -7.707 -3.434 10.113 1.00 43.31 C ATOM 684 C GLU A 41 -7.714 -1.903 10.274 1.00 61.42 C ATOM 685 O GLU A 41 -6.737 -1.339 10.776 1.00 54.40 O ATOM 686 CB GLU A 41 -6.818 -3.902 8.928 1.00 50.45 C ATOM 687 CG GLU A 41 -6.706 -5.449 8.811 1.00 74.44 C ATOM 688 CD GLU A 41 -6.497 -6.159 10.180 1.00 72.15 C ATOM 689 OE1 GLU A 41 -5.422 -5.999 10.793 1.00 73.35 O ATOM 690 OE2 GLU A 41 -7.427 -6.855 10.657 1.00 13.01 O ATOM 0 H GLU A 41 -9.371 -4.168 9.044 1.00 44.14 H new ATOM 0 HA GLU A 41 -7.266 -3.818 11.033 1.00 43.31 H new ATOM 0 HB2 GLU A 41 -7.225 -3.504 7.999 1.00 50.45 H new ATOM 0 HB3 GLU A 41 -5.819 -3.481 9.045 1.00 50.45 H new ATOM 0 HG2 GLU A 41 -7.611 -5.837 8.343 1.00 74.44 H new ATOM 0 HG3 GLU A 41 -5.875 -5.697 8.151 1.00 74.44 H new ATOM 697 N MET A 42 -8.816 -1.234 9.867 1.00 11.42 N ATOM 698 CA MET A 42 -9.020 0.208 10.157 1.00 63.14 C ATOM 699 C MET A 42 -9.222 0.414 11.664 1.00 45.24 C ATOM 700 O MET A 42 -8.765 1.419 12.226 1.00 30.13 O ATOM 701 CB MET A 42 -10.220 0.790 9.360 1.00 22.12 C ATOM 702 CG MET A 42 -10.096 0.722 7.828 1.00 53.40 C ATOM 703 SD MET A 42 -8.734 1.706 7.143 1.00 53.30 S ATOM 704 CE MET A 42 -7.368 0.546 7.154 1.00 65.34 C ATOM 0 H MET A 42 -9.575 -1.664 9.339 1.00 11.42 H new ATOM 0 HA MET A 42 -8.127 0.746 9.838 1.00 63.14 H new ATOM 0 HB2 MET A 42 -11.123 0.257 9.657 1.00 22.12 H new ATOM 0 HB3 MET A 42 -10.354 1.832 9.650 1.00 22.12 H new ATOM 0 HG2 MET A 42 -9.961 -0.318 7.532 1.00 53.40 H new ATOM 0 HG3 MET A 42 -11.032 1.061 7.384 1.00 53.40 H new ATOM 0 HE1 MET A 42 -6.523 0.974 6.614 1.00 65.34 H new ATOM 0 HE2 MET A 42 -7.074 0.340 8.183 1.00 65.34 H new ATOM 0 HE3 MET A 42 -7.675 -0.382 6.671 1.00 65.34 H new ATOM 714 N LYS A 43 -9.910 -0.564 12.297 1.00 2.33 N ATOM 715 CA LYS A 43 -10.084 -0.618 13.757 1.00 30.21 C ATOM 716 C LYS A 43 -8.717 -0.639 14.449 1.00 42.33 C ATOM 717 O LYS A 43 -8.492 0.129 15.376 1.00 51.21 O ATOM 718 CB LYS A 43 -10.908 -1.870 14.170 1.00 51.41 C ATOM 719 CG LYS A 43 -12.374 -1.851 13.701 1.00 3.21 C ATOM 720 CD LYS A 43 -13.110 -3.185 13.977 1.00 15.20 C ATOM 721 CE LYS A 43 -14.570 -3.162 13.497 1.00 72.42 C ATOM 722 NZ LYS A 43 -15.368 -2.119 14.194 1.00 22.45 N ATOM 0 H LYS A 43 -10.359 -1.336 11.804 1.00 2.33 H new ATOM 0 HA LYS A 43 -10.630 0.272 14.070 1.00 30.21 H new ATOM 0 HB2 LYS A 43 -10.422 -2.759 13.767 1.00 51.41 H new ATOM 0 HB3 LYS A 43 -10.888 -1.961 15.256 1.00 51.41 H new ATOM 0 HG2 LYS A 43 -12.901 -1.040 14.204 1.00 3.21 H new ATOM 0 HG3 LYS A 43 -12.406 -1.638 12.632 1.00 3.21 H new ATOM 0 HD2 LYS A 43 -12.580 -3.998 13.480 1.00 15.20 H new ATOM 0 HD3 LYS A 43 -13.086 -3.395 15.046 1.00 15.20 H new ATOM 0 HE2 LYS A 43 -14.596 -2.981 12.422 1.00 72.42 H new ATOM 0 HE3 LYS A 43 -15.023 -4.139 13.666 1.00 72.42 H new ATOM 0 HZ1 LYS A 43 -16.372 -2.225 13.943 1.00 22.45 H new ATOM 0 HZ2 LYS A 43 -15.255 -2.225 15.222 1.00 22.45 H new ATOM 0 HZ3 LYS A 43 -15.036 -1.177 13.905 1.00 22.45 H new ATOM 736 N LYS A 44 -7.791 -1.482 13.924 1.00 24.15 N ATOM 737 CA LYS A 44 -6.452 -1.687 14.529 1.00 62.42 C ATOM 738 C LYS A 44 -5.645 -0.377 14.546 1.00 44.33 C ATOM 739 O LYS A 44 -4.958 -0.081 15.514 1.00 64.41 O ATOM 740 CB LYS A 44 -5.633 -2.785 13.782 1.00 5.55 C ATOM 741 CG LYS A 44 -6.367 -4.122 13.553 1.00 24.23 C ATOM 742 CD LYS A 44 -6.957 -4.744 14.841 1.00 53.11 C ATOM 743 CE LYS A 44 -7.426 -6.195 14.616 1.00 10.25 C ATOM 744 NZ LYS A 44 -8.321 -6.331 13.432 1.00 3.04 N ATOM 0 H LYS A 44 -7.950 -2.032 13.080 1.00 24.15 H new ATOM 0 HA LYS A 44 -6.624 -2.021 15.552 1.00 62.42 H new ATOM 0 HB2 LYS A 44 -5.326 -2.389 12.814 1.00 5.55 H new ATOM 0 HB3 LYS A 44 -4.723 -2.983 14.348 1.00 5.55 H new ATOM 0 HG2 LYS A 44 -7.173 -3.964 12.836 1.00 24.23 H new ATOM 0 HG3 LYS A 44 -5.674 -4.833 13.103 1.00 24.23 H new ATOM 0 HD2 LYS A 44 -6.206 -4.724 15.631 1.00 53.11 H new ATOM 0 HD3 LYS A 44 -7.797 -4.140 15.184 1.00 53.11 H new ATOM 0 HE2 LYS A 44 -6.556 -6.838 14.485 1.00 10.25 H new ATOM 0 HE3 LYS A 44 -7.950 -6.546 15.505 1.00 10.25 H new ATOM 0 HZ1 LYS A 44 -9.071 -7.020 13.641 1.00 3.04 H new ATOM 0 HZ2 LYS A 44 -8.749 -5.409 13.213 1.00 3.04 H new ATOM 0 HZ3 LYS A 44 -7.768 -6.659 12.615 1.00 3.04 H new ATOM 758 N LEU A 45 -5.762 0.417 13.475 1.00 73.42 N ATOM 759 CA LEU A 45 -5.020 1.688 13.330 1.00 24.52 C ATOM 760 C LEU A 45 -5.486 2.752 14.353 1.00 21.12 C ATOM 761 O LEU A 45 -4.743 3.687 14.656 1.00 52.41 O ATOM 762 CB LEU A 45 -5.162 2.212 11.882 1.00 55.41 C ATOM 763 CG LEU A 45 -4.695 1.237 10.759 1.00 35.14 C ATOM 764 CD1 LEU A 45 -4.892 1.859 9.369 1.00 75.32 C ATOM 765 CD2 LEU A 45 -3.235 0.773 10.981 1.00 72.33 C ATOM 0 H LEU A 45 -6.370 0.203 12.684 1.00 73.42 H new ATOM 0 HA LEU A 45 -3.968 1.492 13.539 1.00 24.52 H new ATOM 0 HB2 LEU A 45 -6.208 2.463 11.707 1.00 55.41 H new ATOM 0 HB3 LEU A 45 -4.593 3.138 11.793 1.00 55.41 H new ATOM 0 HG LEU A 45 -5.322 0.347 10.809 1.00 35.14 H new ATOM 0 HD11 LEU A 45 -4.558 1.157 8.605 1.00 75.32 H new ATOM 0 HD12 LEU A 45 -5.948 2.084 9.218 1.00 75.32 H new ATOM 0 HD13 LEU A 45 -4.311 2.778 9.296 1.00 75.32 H new ATOM 0 HD21 LEU A 45 -2.943 0.095 10.179 1.00 72.33 H new ATOM 0 HD22 LEU A 45 -2.574 1.640 10.982 1.00 72.33 H new ATOM 0 HD23 LEU A 45 -3.159 0.258 11.938 1.00 72.33 H new ATOM 777 N ALA A 46 -6.714 2.590 14.881 1.00 34.13 N ATOM 778 CA ALA A 46 -7.293 3.501 15.889 1.00 55.40 C ATOM 779 C ALA A 46 -7.133 2.934 17.322 1.00 25.14 C ATOM 780 O ALA A 46 -6.904 3.697 18.268 1.00 51.11 O ATOM 781 CB ALA A 46 -8.772 3.753 15.566 1.00 43.32 C ATOM 0 H ALA A 46 -7.334 1.823 14.621 1.00 34.13 H new ATOM 0 HA ALA A 46 -6.752 4.447 15.852 1.00 55.40 H new ATOM 0 HB1 ALA A 46 -9.198 4.425 16.311 1.00 43.32 H new ATOM 0 HB2 ALA A 46 -8.857 4.206 14.578 1.00 43.32 H new ATOM 0 HB3 ALA A 46 -9.314 2.807 15.579 1.00 43.32 H new ATOM 888 N LYS A 53 4.336 -0.269 12.972 1.00 44.12 N ATOM 889 CA LYS A 53 4.491 0.004 11.530 1.00 1.11 C ATOM 890 C LYS A 53 3.701 -1.066 10.759 1.00 64.24 C ATOM 891 O LYS A 53 4.195 -2.184 10.553 1.00 44.44 O ATOM 892 CB LYS A 53 6.003 0.022 11.087 1.00 44.30 C ATOM 893 CG LYS A 53 7.004 0.596 12.124 1.00 22.44 C ATOM 894 CD LYS A 53 6.567 1.933 12.760 1.00 5.21 C ATOM 895 CE LYS A 53 7.496 2.354 13.913 1.00 42.04 C ATOM 896 NZ LYS A 53 6.993 3.561 14.624 1.00 33.22 N ATOM 0 HA LYS A 53 4.102 0.998 11.308 1.00 1.11 H new ATOM 0 HB2 LYS A 53 6.303 -0.998 10.846 1.00 44.30 H new ATOM 0 HB3 LYS A 53 6.086 0.604 10.169 1.00 44.30 H new ATOM 0 HG2 LYS A 53 7.149 -0.139 12.916 1.00 22.44 H new ATOM 0 HG3 LYS A 53 7.970 0.737 11.639 1.00 22.44 H new ATOM 0 HD2 LYS A 53 6.560 2.712 11.998 1.00 5.21 H new ATOM 0 HD3 LYS A 53 5.546 1.841 13.132 1.00 5.21 H new ATOM 0 HE2 LYS A 53 7.591 1.530 14.620 1.00 42.04 H new ATOM 0 HE3 LYS A 53 8.493 2.554 13.520 1.00 42.04 H new ATOM 0 HZ1 LYS A 53 7.648 3.810 15.392 1.00 33.22 H new ATOM 0 HZ2 LYS A 53 6.926 4.355 13.956 1.00 33.22 H new ATOM 0 HZ3 LYS A 53 6.053 3.363 15.022 1.00 33.22 H new ATOM 910 N ILE A 54 2.460 -0.729 10.371 1.00 63.51 N ATOM 911 CA ILE A 54 1.522 -1.679 9.750 1.00 13.31 C ATOM 912 C ILE A 54 1.564 -1.501 8.223 1.00 32.23 C ATOM 913 O ILE A 54 1.505 -0.378 7.712 1.00 64.13 O ATOM 914 CB ILE A 54 0.043 -1.482 10.280 1.00 63.53 C ATOM 915 CG1 ILE A 54 -0.016 -1.583 11.846 1.00 43.00 C ATOM 916 CG2 ILE A 54 -0.940 -2.492 9.622 1.00 34.30 C ATOM 917 CD1 ILE A 54 0.379 -2.935 12.424 1.00 50.23 C ATOM 0 H ILE A 54 2.078 0.211 10.479 1.00 63.51 H new ATOM 0 HA ILE A 54 1.830 -2.689 10.020 1.00 13.31 H new ATOM 0 HB ILE A 54 -0.274 -0.479 9.993 1.00 63.53 H new ATOM 0 HG12 ILE A 54 0.638 -0.820 12.268 1.00 43.00 H new ATOM 0 HG13 ILE A 54 -1.030 -1.349 12.171 1.00 43.00 H new ATOM 0 HG21 ILE A 54 -1.945 -2.327 10.010 1.00 34.30 H new ATOM 0 HG22 ILE A 54 -0.940 -2.348 8.541 1.00 34.30 H new ATOM 0 HG23 ILE A 54 -0.625 -3.510 9.853 1.00 34.30 H new ATOM 0 HD11 ILE A 54 0.305 -2.902 13.511 1.00 50.23 H new ATOM 0 HD12 ILE A 54 -0.289 -3.705 12.038 1.00 50.23 H new ATOM 0 HD13 ILE A 54 1.404 -3.168 12.137 1.00 50.23 H new ATOM 929 N LEU A 55 1.677 -2.616 7.512 1.00 24.11 N ATOM 930 CA LEU A 55 1.724 -2.651 6.051 1.00 4.31 C ATOM 931 C LEU A 55 0.508 -3.434 5.553 1.00 45.34 C ATOM 932 O LEU A 55 0.260 -4.548 6.022 1.00 21.15 O ATOM 933 CB LEU A 55 3.072 -3.284 5.608 1.00 22.30 C ATOM 934 CG LEU A 55 3.373 -3.313 4.063 1.00 24.32 C ATOM 935 CD1 LEU A 55 4.872 -3.121 3.790 1.00 0.24 C ATOM 936 CD2 LEU A 55 2.862 -4.609 3.384 1.00 51.04 C ATOM 0 H LEU A 55 1.740 -3.540 7.940 1.00 24.11 H new ATOM 0 HA LEU A 55 1.679 -1.652 5.617 1.00 4.31 H new ATOM 0 HB2 LEU A 55 3.879 -2.742 6.100 1.00 22.30 H new ATOM 0 HB3 LEU A 55 3.104 -4.309 5.979 1.00 22.30 H new ATOM 0 HG LEU A 55 2.825 -2.479 3.623 1.00 24.32 H new ATOM 0 HD11 LEU A 55 5.052 -3.145 2.715 1.00 0.24 H new ATOM 0 HD12 LEU A 55 5.195 -2.160 4.190 1.00 0.24 H new ATOM 0 HD13 LEU A 55 5.435 -3.921 4.270 1.00 0.24 H new ATOM 0 HD21 LEU A 55 3.095 -4.578 2.320 1.00 51.04 H new ATOM 0 HD22 LEU A 55 3.348 -5.473 3.837 1.00 51.04 H new ATOM 0 HD23 LEU A 55 1.783 -4.689 3.517 1.00 51.04 H new ATOM 948 N ILE A 56 -0.268 -2.838 4.630 1.00 31.03 N ATOM 949 CA ILE A 56 -1.472 -3.474 4.066 1.00 1.32 C ATOM 950 C ILE A 56 -1.224 -3.806 2.581 1.00 23.54 C ATOM 951 O ILE A 56 -0.790 -2.944 1.811 1.00 15.24 O ATOM 952 CB ILE A 56 -2.756 -2.557 4.164 1.00 70.12 C ATOM 953 CG1 ILE A 56 -2.972 -1.966 5.605 1.00 21.33 C ATOM 954 CG2 ILE A 56 -4.019 -3.333 3.691 1.00 10.42 C ATOM 955 CD1 ILE A 56 -3.322 -2.975 6.686 1.00 74.11 C ATOM 0 H ILE A 56 -0.080 -1.908 4.256 1.00 31.03 H new ATOM 0 HA ILE A 56 -1.659 -4.374 4.652 1.00 1.32 H new ATOM 0 HB ILE A 56 -2.591 -1.709 3.500 1.00 70.12 H new ATOM 0 HG12 ILE A 56 -2.063 -1.443 5.903 1.00 21.33 H new ATOM 0 HG13 ILE A 56 -3.767 -1.222 5.557 1.00 21.33 H new ATOM 0 HG21 ILE A 56 -4.893 -2.686 3.766 1.00 10.42 H new ATOM 0 HG22 ILE A 56 -3.887 -3.646 2.655 1.00 10.42 H new ATOM 0 HG23 ILE A 56 -4.163 -4.211 4.320 1.00 10.42 H new ATOM 0 HD11 ILE A 56 -3.448 -2.459 7.638 1.00 74.11 H new ATOM 0 HD12 ILE A 56 -4.250 -3.483 6.423 1.00 74.11 H new ATOM 0 HD13 ILE A 56 -2.519 -3.707 6.774 1.00 74.11 H new ATOM 967 N ILE A 57 -1.490 -5.062 2.201 1.00 3.24 N ATOM 968 CA ILE A 57 -1.527 -5.501 0.799 1.00 4.04 C ATOM 969 C ILE A 57 -2.988 -5.802 0.441 1.00 0.34 C ATOM 970 O ILE A 57 -3.660 -6.546 1.149 1.00 24.42 O ATOM 971 CB ILE A 57 -0.644 -6.783 0.549 1.00 41.23 C ATOM 972 CG1 ILE A 57 0.827 -6.539 1.019 1.00 63.04 C ATOM 973 CG2 ILE A 57 -0.688 -7.204 -0.948 1.00 22.31 C ATOM 974 CD1 ILE A 57 1.739 -7.752 0.931 1.00 61.03 C ATOM 0 H ILE A 57 -1.688 -5.811 2.865 1.00 3.24 H new ATOM 0 HA ILE A 57 -1.118 -4.709 0.172 1.00 4.04 H new ATOM 0 HB ILE A 57 -1.057 -7.602 1.138 1.00 41.23 H new ATOM 0 HG12 ILE A 57 1.256 -5.736 0.419 1.00 63.04 H new ATOM 0 HG13 ILE A 57 0.810 -6.190 2.052 1.00 63.04 H new ATOM 0 HG21 ILE A 57 -0.071 -8.091 -1.095 1.00 22.31 H new ATOM 0 HG22 ILE A 57 -1.716 -7.426 -1.233 1.00 22.31 H new ATOM 0 HG23 ILE A 57 -0.307 -6.391 -1.566 1.00 22.31 H new ATOM 0 HD11 ILE A 57 2.737 -7.483 1.278 1.00 61.03 H new ATOM 0 HD12 ILE A 57 1.341 -8.552 1.555 1.00 61.03 H new ATOM 0 HD13 ILE A 57 1.794 -8.091 -0.103 1.00 61.03 H new ATOM 986 N SER A 58 -3.476 -5.211 -0.643 1.00 22.50 N ATOM 987 CA SER A 58 -4.814 -5.486 -1.179 1.00 61.52 C ATOM 988 C SER A 58 -4.658 -5.726 -2.675 1.00 35.30 C ATOM 989 O SER A 58 -3.911 -5.012 -3.337 1.00 2.24 O ATOM 990 CB SER A 58 -5.784 -4.304 -0.904 1.00 2.21 C ATOM 991 OG SER A 58 -7.099 -4.583 -1.377 1.00 10.34 O ATOM 0 H SER A 58 -2.954 -4.521 -1.183 1.00 22.50 H new ATOM 0 HA SER A 58 -5.245 -6.361 -0.692 1.00 61.52 H new ATOM 0 HB2 SER A 58 -5.817 -4.101 0.167 1.00 2.21 H new ATOM 0 HB3 SER A 58 -5.407 -3.403 -1.387 1.00 2.21 H new ATOM 0 HG SER A 58 -7.301 -4.004 -2.141 1.00 10.34 H new ATOM 997 N ASN A 59 -5.325 -6.761 -3.197 1.00 62.12 N ATOM 998 CA ASN A 59 -5.320 -7.055 -4.646 1.00 32.45 C ATOM 999 C ASN A 59 -6.445 -6.294 -5.360 1.00 31.53 C ATOM 1000 O ASN A 59 -6.498 -6.269 -6.594 1.00 42.20 O ATOM 1001 CB ASN A 59 -5.427 -8.578 -4.915 1.00 54.41 C ATOM 1002 CG ASN A 59 -6.704 -9.243 -4.389 1.00 31.23 C ATOM 1003 OD1 ASN A 59 -7.242 -8.870 -3.344 1.00 74.21 O ATOM 1004 ND2 ASN A 59 -7.195 -10.237 -5.112 1.00 0.54 N ATOM 0 H ASN A 59 -5.878 -7.414 -2.642 1.00 62.12 H new ATOM 0 HA ASN A 59 -4.367 -6.715 -5.050 1.00 32.45 H new ATOM 0 HB2 ASN A 59 -5.364 -8.747 -5.990 1.00 54.41 H new ATOM 0 HB3 ASN A 59 -4.566 -9.072 -4.464 1.00 54.41 H new ATOM 0 HD21 ASN A 59 -8.042 -10.718 -4.809 1.00 0.54 H new ATOM 0 HD22 ASN A 59 -6.726 -10.522 -5.972 1.00 0.54 H new ATOM 1011 N ASP A 60 -7.321 -5.651 -4.566 1.00 42.32 N ATOM 1012 CA ASP A 60 -8.489 -4.910 -5.064 1.00 20.10 C ATOM 1013 C ASP A 60 -8.289 -3.402 -4.801 1.00 20.34 C ATOM 1014 O ASP A 60 -8.055 -2.985 -3.657 1.00 34.30 O ATOM 1015 CB ASP A 60 -9.765 -5.444 -4.362 1.00 51.12 C ATOM 1016 CG ASP A 60 -11.064 -4.856 -4.936 1.00 4.55 C ATOM 1017 OD1 ASP A 60 -11.510 -3.793 -4.464 1.00 51.13 O ATOM 1018 OD2 ASP A 60 -11.633 -5.449 -5.879 1.00 62.21 O ATOM 0 H ASP A 60 -7.235 -5.633 -3.550 1.00 42.32 H new ATOM 0 HA ASP A 60 -8.602 -5.054 -6.139 1.00 20.10 H new ATOM 0 HB2 ASP A 60 -9.794 -6.530 -4.453 1.00 51.12 H new ATOM 0 HB3 ASP A 60 -9.709 -5.215 -3.298 1.00 51.12 H new ATOM 1023 N LYS A 61 -8.391 -2.597 -5.872 1.00 43.12 N ATOM 1024 CA LYS A 61 -8.119 -1.145 -5.824 1.00 31.24 C ATOM 1025 C LYS A 61 -9.265 -0.361 -5.143 1.00 30.24 C ATOM 1026 O LYS A 61 -9.016 0.686 -4.556 1.00 51.10 O ATOM 1027 CB LYS A 61 -7.859 -0.595 -7.254 1.00 42.44 C ATOM 1028 CG LYS A 61 -9.050 -0.757 -8.220 1.00 73.22 C ATOM 1029 CD LYS A 61 -8.752 -0.231 -9.640 1.00 51.23 C ATOM 1030 CE LYS A 61 -9.937 -0.454 -10.594 1.00 30.43 C ATOM 1031 NZ LYS A 61 -10.298 -1.896 -10.709 1.00 61.34 N ATOM 0 H LYS A 61 -8.664 -2.931 -6.796 1.00 43.12 H new ATOM 0 HA LYS A 61 -7.224 -1.001 -5.219 1.00 31.24 H new ATOM 0 HB2 LYS A 61 -7.604 0.462 -7.184 1.00 42.44 H new ATOM 0 HB3 LYS A 61 -6.992 -1.105 -7.675 1.00 42.44 H new ATOM 0 HG2 LYS A 61 -9.322 -1.811 -8.279 1.00 73.22 H new ATOM 0 HG3 LYS A 61 -9.913 -0.227 -7.816 1.00 73.22 H new ATOM 0 HD2 LYS A 61 -8.520 0.833 -9.592 1.00 51.23 H new ATOM 0 HD3 LYS A 61 -7.868 -0.732 -10.035 1.00 51.23 H new ATOM 0 HE2 LYS A 61 -10.800 0.108 -10.238 1.00 30.43 H new ATOM 0 HE3 LYS A 61 -9.687 -0.063 -11.580 1.00 30.43 H new ATOM 0 HZ1 LYS A 61 -10.929 -2.032 -11.524 1.00 61.34 H new ATOM 0 HZ2 LYS A 61 -9.435 -2.461 -10.841 1.00 61.34 H new ATOM 0 HZ3 LYS A 61 -10.783 -2.203 -9.841 1.00 61.34 H new ATOM 1045 N GLN A 62 -10.511 -0.892 -5.203 1.00 51.23 N ATOM 1046 CA GLN A 62 -11.694 -0.235 -4.591 1.00 11.45 C ATOM 1047 C GLN A 62 -11.561 -0.257 -3.057 1.00 21.53 C ATOM 1048 O GLN A 62 -11.839 0.750 -2.389 1.00 22.10 O ATOM 1049 CB GLN A 62 -13.010 -0.935 -5.048 1.00 25.42 C ATOM 1050 CG GLN A 62 -14.309 -0.482 -4.326 1.00 0.24 C ATOM 1051 CD GLN A 62 -14.713 0.965 -4.615 1.00 13.21 C ATOM 1052 OE1 GLN A 62 -15.447 1.236 -5.563 1.00 60.21 O ATOM 1053 NE2 GLN A 62 -14.255 1.901 -3.798 1.00 3.53 N ATOM 0 H GLN A 62 -10.723 -1.774 -5.669 1.00 51.23 H new ATOM 0 HA GLN A 62 -11.738 0.802 -4.924 1.00 11.45 H new ATOM 0 HB2 GLN A 62 -13.135 -0.767 -6.118 1.00 25.42 H new ATOM 0 HB3 GLN A 62 -12.895 -2.010 -4.906 1.00 25.42 H new ATOM 0 HG2 GLN A 62 -15.125 -1.142 -4.622 1.00 0.24 H new ATOM 0 HG3 GLN A 62 -14.175 -0.603 -3.251 1.00 0.24 H new ATOM 0 HE21 GLN A 62 -13.647 1.646 -3.020 1.00 3.53 H new ATOM 0 HE22 GLN A 62 -14.510 2.877 -3.947 1.00 3.53 H new ATOM 1062 N LEU A 63 -11.108 -1.412 -2.523 1.00 25.22 N ATOM 1063 CA LEU A 63 -10.828 -1.578 -1.085 1.00 35.14 C ATOM 1064 C LEU A 63 -9.732 -0.603 -0.659 1.00 54.13 C ATOM 1065 O LEU A 63 -9.855 0.060 0.355 1.00 14.43 O ATOM 1066 CB LEU A 63 -10.404 -3.041 -0.762 1.00 22.24 C ATOM 1067 CG LEU A 63 -11.467 -4.138 -1.068 1.00 62.53 C ATOM 1068 CD1 LEU A 63 -10.941 -5.547 -0.722 1.00 4.33 C ATOM 1069 CD2 LEU A 63 -12.807 -3.837 -0.361 1.00 52.51 C ATOM 0 H LEU A 63 -10.928 -2.250 -3.076 1.00 25.22 H new ATOM 0 HA LEU A 63 -11.740 -1.363 -0.528 1.00 35.14 H new ATOM 0 HB2 LEU A 63 -9.500 -3.270 -1.326 1.00 22.24 H new ATOM 0 HB3 LEU A 63 -10.143 -3.099 0.295 1.00 22.24 H new ATOM 0 HG LEU A 63 -11.657 -4.121 -2.141 1.00 62.53 H new ATOM 0 HD11 LEU A 63 -11.708 -6.287 -0.948 1.00 4.33 H new ATOM 0 HD12 LEU A 63 -10.049 -5.757 -1.312 1.00 4.33 H new ATOM 0 HD13 LEU A 63 -10.694 -5.593 0.339 1.00 4.33 H new ATOM 0 HD21 LEU A 63 -13.526 -4.622 -0.596 1.00 52.51 H new ATOM 0 HD22 LEU A 63 -12.649 -3.800 0.717 1.00 52.51 H new ATOM 0 HD23 LEU A 63 -13.192 -2.877 -0.705 1.00 52.51 H new ATOM 1081 N LEU A 64 -8.689 -0.502 -1.494 1.00 44.21 N ATOM 1082 CA LEU A 64 -7.569 0.432 -1.294 1.00 12.53 C ATOM 1083 C LEU A 64 -8.054 1.893 -1.133 1.00 72.22 C ATOM 1084 O LEU A 64 -7.550 2.619 -0.274 1.00 73.23 O ATOM 1085 CB LEU A 64 -6.571 0.271 -2.478 1.00 1.34 C ATOM 1086 CG LEU A 64 -5.482 1.391 -2.671 1.00 40.31 C ATOM 1087 CD1 LEU A 64 -4.165 0.789 -3.139 1.00 42.11 C ATOM 1088 CD2 LEU A 64 -5.936 2.497 -3.671 1.00 24.34 C ATOM 0 H LEU A 64 -8.597 -1.071 -2.336 1.00 44.21 H new ATOM 0 HA LEU A 64 -7.059 0.190 -0.362 1.00 12.53 H new ATOM 0 HB2 LEU A 64 -6.055 -0.681 -2.355 1.00 1.34 H new ATOM 0 HB3 LEU A 64 -7.150 0.204 -3.399 1.00 1.34 H new ATOM 0 HG LEU A 64 -5.343 1.860 -1.697 1.00 40.31 H new ATOM 0 HD11 LEU A 64 -3.427 1.581 -3.266 1.00 42.11 H new ATOM 0 HD12 LEU A 64 -3.807 0.075 -2.397 1.00 42.11 H new ATOM 0 HD13 LEU A 64 -4.316 0.278 -4.090 1.00 42.11 H new ATOM 0 HD21 LEU A 64 -5.149 3.245 -3.768 1.00 24.34 H new ATOM 0 HD22 LEU A 64 -6.133 2.049 -4.645 1.00 24.34 H new ATOM 0 HD23 LEU A 64 -6.844 2.972 -3.300 1.00 24.34 H new ATOM 1100 N LYS A 65 -9.035 2.301 -1.964 1.00 73.42 N ATOM 1101 CA LYS A 65 -9.594 3.666 -1.941 1.00 11.54 C ATOM 1102 C LYS A 65 -10.317 3.936 -0.618 1.00 41.12 C ATOM 1103 O LYS A 65 -9.970 4.888 0.080 1.00 13.14 O ATOM 1104 CB LYS A 65 -10.545 3.880 -3.140 1.00 72.40 C ATOM 1105 CG LYS A 65 -9.864 3.724 -4.514 1.00 15.40 C ATOM 1106 CD LYS A 65 -10.869 3.835 -5.684 1.00 63.31 C ATOM 1107 CE LYS A 65 -11.439 5.253 -5.856 1.00 3.41 C ATOM 1108 NZ LYS A 65 -12.559 5.284 -6.833 1.00 2.42 N ATOM 0 H LYS A 65 -9.460 1.696 -2.667 1.00 73.42 H new ATOM 0 HA LYS A 65 -8.771 4.375 -2.025 1.00 11.54 H new ATOM 0 HB2 LYS A 65 -11.367 3.168 -3.070 1.00 72.40 H new ATOM 0 HB3 LYS A 65 -10.980 4.877 -3.072 1.00 72.40 H new ATOM 0 HG2 LYS A 65 -9.095 4.489 -4.625 1.00 15.40 H new ATOM 0 HG3 LYS A 65 -9.361 2.758 -4.560 1.00 15.40 H new ATOM 0 HD2 LYS A 65 -10.376 3.533 -6.608 1.00 63.31 H new ATOM 0 HD3 LYS A 65 -11.690 3.137 -5.518 1.00 63.31 H new ATOM 0 HE2 LYS A 65 -11.787 5.624 -4.892 1.00 3.41 H new ATOM 0 HE3 LYS A 65 -10.648 5.925 -6.189 1.00 3.41 H new ATOM 0 HZ1 LYS A 65 -12.916 6.257 -6.921 1.00 2.42 H new ATOM 0 HZ2 LYS A 65 -12.221 4.954 -7.759 1.00 2.42 H new ATOM 0 HZ3 LYS A 65 -13.325 4.663 -6.503 1.00 2.42 H new ATOM 1122 N GLU A 66 -11.292 3.056 -0.271 1.00 55.14 N ATOM 1123 CA GLU A 66 -12.077 3.160 0.984 1.00 51.45 C ATOM 1124 C GLU A 66 -11.147 3.225 2.207 1.00 54.41 C ATOM 1125 O GLU A 66 -11.359 4.008 3.131 1.00 73.21 O ATOM 1126 CB GLU A 66 -13.040 1.945 1.141 1.00 51.03 C ATOM 1127 CG GLU A 66 -14.009 1.703 -0.029 1.00 14.34 C ATOM 1128 CD GLU A 66 -14.885 2.925 -0.357 1.00 52.41 C ATOM 1129 OE1 GLU A 66 -15.880 3.167 0.358 1.00 73.43 O ATOM 1130 OE2 GLU A 66 -14.577 3.656 -1.319 1.00 43.13 O ATOM 0 H GLU A 66 -11.554 2.259 -0.851 1.00 55.14 H new ATOM 0 HA GLU A 66 -12.663 4.077 0.927 1.00 51.45 H new ATOM 0 HB2 GLU A 66 -12.440 1.046 1.283 1.00 51.03 H new ATOM 0 HB3 GLU A 66 -13.625 2.085 2.050 1.00 51.03 H new ATOM 0 HG2 GLU A 66 -13.437 1.427 -0.915 1.00 14.34 H new ATOM 0 HG3 GLU A 66 -14.653 0.857 0.211 1.00 14.34 H new ATOM 1137 N MET A 67 -10.106 2.385 2.149 1.00 53.05 N ATOM 1138 CA MET A 67 -9.063 2.256 3.166 1.00 44.20 C ATOM 1139 C MET A 67 -8.356 3.594 3.412 1.00 25.41 C ATOM 1140 O MET A 67 -8.293 4.054 4.545 1.00 52.41 O ATOM 1141 CB MET A 67 -8.075 1.172 2.679 1.00 64.31 C ATOM 1142 CG MET A 67 -6.981 0.771 3.655 1.00 63.45 C ATOM 1143 SD MET A 67 -6.169 -0.761 3.156 1.00 40.22 S ATOM 1144 CE MET A 67 -7.546 -1.917 3.170 1.00 20.13 C ATOM 0 H MET A 67 -9.965 1.754 1.361 1.00 53.05 H new ATOM 0 HA MET A 67 -9.498 1.964 4.122 1.00 44.20 H new ATOM 0 HB2 MET A 67 -8.646 0.280 2.420 1.00 64.31 H new ATOM 0 HB3 MET A 67 -7.603 1.526 1.763 1.00 64.31 H new ATOM 0 HG2 MET A 67 -6.242 1.570 3.721 1.00 63.45 H new ATOM 0 HG3 MET A 67 -7.408 0.649 4.650 1.00 63.45 H new ATOM 0 HE1 MET A 67 -7.166 -2.937 3.110 1.00 20.13 H new ATOM 0 HE2 MET A 67 -8.114 -1.795 4.092 1.00 20.13 H new ATOM 0 HE3 MET A 67 -8.194 -1.721 2.316 1.00 20.13 H new ATOM 1154 N LEU A 68 -7.885 4.229 2.323 1.00 51.14 N ATOM 1155 CA LEU A 68 -7.126 5.495 2.380 1.00 54.23 C ATOM 1156 C LEU A 68 -8.030 6.688 2.745 1.00 62.13 C ATOM 1157 O LEU A 68 -7.535 7.702 3.233 1.00 70.20 O ATOM 1158 CB LEU A 68 -6.396 5.726 1.032 1.00 63.40 C ATOM 1159 CG LEU A 68 -5.279 4.680 0.701 1.00 14.12 C ATOM 1160 CD1 LEU A 68 -4.809 4.794 -0.752 1.00 1.21 C ATOM 1161 CD2 LEU A 68 -4.087 4.802 1.674 1.00 73.40 C ATOM 0 H LEU A 68 -8.020 3.878 1.375 1.00 51.14 H new ATOM 0 HA LEU A 68 -6.382 5.417 3.173 1.00 54.23 H new ATOM 0 HB2 LEU A 68 -7.133 5.715 0.229 1.00 63.40 H new ATOM 0 HB3 LEU A 68 -5.951 6.721 1.042 1.00 63.40 H new ATOM 0 HG LEU A 68 -5.719 3.691 0.830 1.00 14.12 H new ATOM 0 HD11 LEU A 68 -4.034 4.052 -0.943 1.00 1.21 H new ATOM 0 HD12 LEU A 68 -5.651 4.620 -1.422 1.00 1.21 H new ATOM 0 HD13 LEU A 68 -4.407 5.792 -0.927 1.00 1.21 H new ATOM 0 HD21 LEU A 68 -3.330 4.062 1.416 1.00 73.40 H new ATOM 0 HD22 LEU A 68 -3.658 5.801 1.600 1.00 73.40 H new ATOM 0 HD23 LEU A 68 -4.431 4.629 2.694 1.00 73.40 H new ATOM 1173 N GLU A 69 -9.355 6.566 2.512 1.00 33.11 N ATOM 1174 CA GLU A 69 -10.337 7.552 3.015 1.00 11.22 C ATOM 1175 C GLU A 69 -10.329 7.523 4.551 1.00 71.11 C ATOM 1176 O GLU A 69 -10.137 8.548 5.211 1.00 44.45 O ATOM 1177 CB GLU A 69 -11.770 7.244 2.493 1.00 73.24 C ATOM 1178 CG GLU A 69 -11.919 7.235 0.962 1.00 2.33 C ATOM 1179 CD GLU A 69 -11.711 8.608 0.298 1.00 2.54 C ATOM 1180 OE1 GLU A 69 -10.564 8.948 -0.072 1.00 73.10 O ATOM 1181 OE2 GLU A 69 -12.705 9.351 0.130 1.00 24.32 O ATOM 0 H GLU A 69 -9.768 5.799 1.982 1.00 33.11 H new ATOM 0 HA GLU A 69 -10.055 8.540 2.652 1.00 11.22 H new ATOM 0 HB2 GLU A 69 -12.079 6.272 2.878 1.00 73.24 H new ATOM 0 HB3 GLU A 69 -12.457 7.983 2.905 1.00 73.24 H new ATOM 0 HG2 GLU A 69 -11.202 6.529 0.543 1.00 2.33 H new ATOM 0 HG3 GLU A 69 -12.913 6.868 0.707 1.00 2.33 H new ATOM 1188 N LEU A 70 -10.483 6.300 5.079 1.00 42.11 N ATOM 1189 CA LEU A 70 -10.553 6.012 6.518 1.00 31.23 C ATOM 1190 C LEU A 70 -9.225 6.360 7.240 1.00 12.30 C ATOM 1191 O LEU A 70 -9.243 6.894 8.354 1.00 11.22 O ATOM 1192 CB LEU A 70 -10.951 4.514 6.695 1.00 63.13 C ATOM 1193 CG LEU A 70 -12.378 4.147 6.146 1.00 34.04 C ATOM 1194 CD1 LEU A 70 -12.643 2.630 6.153 1.00 15.14 C ATOM 1195 CD2 LEU A 70 -13.484 4.896 6.910 1.00 2.33 C ATOM 0 H LEU A 70 -10.564 5.463 4.502 1.00 42.11 H new ATOM 0 HA LEU A 70 -11.310 6.642 6.985 1.00 31.23 H new ATOM 0 HB2 LEU A 70 -10.211 3.893 6.190 1.00 63.13 H new ATOM 0 HB3 LEU A 70 -10.908 4.263 7.755 1.00 63.13 H new ATOM 0 HG LEU A 70 -12.398 4.471 5.106 1.00 34.04 H new ATOM 0 HD11 LEU A 70 -13.642 2.433 5.764 1.00 15.14 H new ATOM 0 HD12 LEU A 70 -11.905 2.129 5.527 1.00 15.14 H new ATOM 0 HD13 LEU A 70 -12.570 2.253 7.173 1.00 15.14 H new ATOM 0 HD21 LEU A 70 -14.457 4.619 6.505 1.00 2.33 H new ATOM 0 HD22 LEU A 70 -13.441 4.629 7.966 1.00 2.33 H new ATOM 0 HD23 LEU A 70 -13.338 5.971 6.801 1.00 2.33 H new ATOM 1207 N ILE A 71 -8.087 6.101 6.565 1.00 22.10 N ATOM 1208 CA ILE A 71 -6.737 6.401 7.096 1.00 23.52 C ATOM 1209 C ILE A 71 -6.484 7.925 7.126 1.00 63.32 C ATOM 1210 O ILE A 71 -5.822 8.431 8.042 1.00 62.54 O ATOM 1211 CB ILE A 71 -5.604 5.683 6.261 1.00 74.31 C ATOM 1212 CG1 ILE A 71 -5.732 4.128 6.360 1.00 21.24 C ATOM 1213 CG2 ILE A 71 -4.197 6.143 6.706 1.00 34.05 C ATOM 1214 CD1 ILE A 71 -4.742 3.346 5.500 1.00 34.05 C ATOM 0 H ILE A 71 -8.075 5.678 5.637 1.00 22.10 H new ATOM 0 HA ILE A 71 -6.701 6.014 8.114 1.00 23.52 H new ATOM 0 HB ILE A 71 -5.736 5.971 5.218 1.00 74.31 H new ATOM 0 HG12 ILE A 71 -5.599 3.833 7.401 1.00 21.24 H new ATOM 0 HG13 ILE A 71 -6.744 3.842 6.074 1.00 21.24 H new ATOM 0 HG21 ILE A 71 -3.441 5.630 6.111 1.00 34.05 H new ATOM 0 HG22 ILE A 71 -4.103 7.219 6.561 1.00 34.05 H new ATOM 0 HG23 ILE A 71 -4.053 5.905 7.760 1.00 34.05 H new ATOM 0 HD11 ILE A 71 -4.908 2.277 5.635 1.00 34.05 H new ATOM 0 HD12 ILE A 71 -4.887 3.606 4.451 1.00 34.05 H new ATOM 0 HD13 ILE A 71 -3.724 3.596 5.799 1.00 34.05 H new ATOM 1226 N SER A 72 -7.024 8.650 6.127 1.00 1.51 N ATOM 1227 CA SER A 72 -6.892 10.115 6.045 1.00 44.42 C ATOM 1228 C SER A 72 -7.625 10.790 7.214 1.00 12.04 C ATOM 1229 O SER A 72 -7.190 11.839 7.702 1.00 64.41 O ATOM 1230 CB SER A 72 -7.435 10.618 4.691 1.00 10.21 C ATOM 1231 OG SER A 72 -7.333 12.028 4.560 1.00 40.30 O ATOM 0 H SER A 72 -7.559 8.240 5.361 1.00 1.51 H new ATOM 0 HA SER A 72 -5.837 10.378 6.115 1.00 44.42 H new ATOM 0 HB2 SER A 72 -6.885 10.139 3.881 1.00 10.21 H new ATOM 0 HB3 SER A 72 -8.478 10.320 4.587 1.00 10.21 H new ATOM 0 HG SER A 72 -7.687 12.302 3.688 1.00 40.30 H new ATOM 1237 N LYS A 73 -8.733 10.166 7.665 1.00 23.50 N ATOM 1238 CA LYS A 73 -9.520 10.654 8.812 1.00 75.32 C ATOM 1239 C LYS A 73 -8.752 10.433 10.129 1.00 51.14 C ATOM 1240 O LYS A 73 -8.890 11.214 11.076 1.00 23.44 O ATOM 1241 CB LYS A 73 -10.902 9.949 8.856 1.00 63.31 C ATOM 1242 CG LYS A 73 -11.766 10.035 7.561 1.00 63.14 C ATOM 1243 CD LYS A 73 -12.128 11.484 7.102 1.00 12.22 C ATOM 1244 CE LYS A 73 -11.098 12.120 6.132 1.00 64.54 C ATOM 1245 NZ LYS A 73 -10.946 11.346 4.862 1.00 30.51 N ATOM 0 H LYS A 73 -9.104 9.314 7.245 1.00 23.50 H new ATOM 0 HA LYS A 73 -9.684 11.725 8.691 1.00 75.32 H new ATOM 0 HB2 LYS A 73 -10.741 8.897 9.090 1.00 63.31 H new ATOM 0 HB3 LYS A 73 -11.476 10.375 9.679 1.00 63.31 H new ATOM 0 HG2 LYS A 73 -11.231 9.537 6.752 1.00 63.14 H new ATOM 0 HG3 LYS A 73 -12.690 9.480 7.722 1.00 63.14 H new ATOM 0 HD2 LYS A 73 -13.104 11.466 6.617 1.00 12.22 H new ATOM 0 HD3 LYS A 73 -12.221 12.119 7.983 1.00 12.22 H new ATOM 0 HE2 LYS A 73 -11.407 13.138 5.897 1.00 64.54 H new ATOM 0 HE3 LYS A 73 -10.130 12.188 6.629 1.00 64.54 H new ATOM 0 HZ1 LYS A 73 -10.311 11.859 4.217 1.00 30.51 H new ATOM 0 HZ2 LYS A 73 -10.544 10.410 5.072 1.00 30.51 H new ATOM 0 HZ3 LYS A 73 -11.877 11.230 4.413 1.00 30.51 H new ATOM 1259 N LEU A 74 -7.954 9.347 10.167 1.00 30.34 N ATOM 1260 CA LEU A 74 -7.044 9.038 11.293 1.00 33.12 C ATOM 1261 C LEU A 74 -5.829 9.993 11.282 1.00 32.21 C ATOM 1262 O LEU A 74 -5.323 10.394 12.338 1.00 11.30 O ATOM 1263 CB LEU A 74 -6.573 7.560 11.186 1.00 5.15 C ATOM 1264 CG LEU A 74 -7.701 6.478 11.235 1.00 32.52 C ATOM 1265 CD1 LEU A 74 -7.151 5.078 10.892 1.00 60.10 C ATOM 1266 CD2 LEU A 74 -8.423 6.480 12.603 1.00 1.42 C ATOM 0 H LEU A 74 -7.921 8.657 9.417 1.00 30.34 H new ATOM 0 HA LEU A 74 -7.577 9.177 12.233 1.00 33.12 H new ATOM 0 HB2 LEU A 74 -6.023 7.441 10.253 1.00 5.15 H new ATOM 0 HB3 LEU A 74 -5.872 7.363 11.997 1.00 5.15 H new ATOM 0 HG LEU A 74 -8.438 6.736 10.474 1.00 32.52 H new ATOM 0 HD11 LEU A 74 -7.960 4.349 10.935 1.00 60.10 H new ATOM 0 HD12 LEU A 74 -6.726 5.090 9.888 1.00 60.10 H new ATOM 0 HD13 LEU A 74 -6.378 4.805 11.610 1.00 60.10 H new ATOM 0 HD21 LEU A 74 -9.201 5.717 12.605 1.00 1.42 H new ATOM 0 HD22 LEU A 74 -7.704 6.267 13.394 1.00 1.42 H new ATOM 0 HD23 LEU A 74 -8.873 7.458 12.775 1.00 1.42 H new ATOM 1278 N GLY A 75 -5.393 10.358 10.062 1.00 34.44 N ATOM 1279 CA GLY A 75 -4.252 11.238 9.849 1.00 25.42 C ATOM 1280 C GLY A 75 -2.921 10.526 10.089 1.00 20.12 C ATOM 1281 O GLY A 75 -2.355 10.614 11.183 1.00 62.04 O ATOM 0 H GLY A 75 -5.832 10.043 9.197 1.00 34.44 H new ATOM 0 HA2 GLY A 75 -4.278 11.623 8.830 1.00 25.42 H new ATOM 0 HA3 GLY A 75 -4.328 12.097 10.516 1.00 25.42 H new ATOM 1285 N TYR A 76 -2.438 9.803 9.063 1.00 62.25 N ATOM 1286 CA TYR A 76 -1.132 9.092 9.092 1.00 71.22 C ATOM 1287 C TYR A 76 -0.359 9.346 7.789 1.00 72.33 C ATOM 1288 O TYR A 76 -0.967 9.528 6.727 1.00 1.44 O ATOM 1289 CB TYR A 76 -1.329 7.559 9.312 1.00 54.25 C ATOM 1290 CG TYR A 76 -1.803 7.169 10.725 1.00 10.45 C ATOM 1291 CD1 TYR A 76 -1.087 7.582 11.855 1.00 25.51 C ATOM 1292 CD2 TYR A 76 -2.938 6.374 10.929 1.00 61.41 C ATOM 1293 CE1 TYR A 76 -1.488 7.230 13.126 1.00 21.13 C ATOM 1294 CE2 TYR A 76 -3.343 6.019 12.206 1.00 4.01 C ATOM 1295 CZ TYR A 76 -2.617 6.449 13.297 1.00 20.34 C ATOM 1296 OH TYR A 76 -3.016 6.095 14.567 1.00 53.24 O ATOM 0 H TYR A 76 -2.940 9.690 8.182 1.00 62.25 H new ATOM 0 HA TYR A 76 -0.554 9.482 9.930 1.00 71.22 H new ATOM 0 HB2 TYR A 76 -2.054 7.191 8.586 1.00 54.25 H new ATOM 0 HB3 TYR A 76 -0.386 7.052 9.106 1.00 54.25 H new ATOM 0 HD1 TYR A 76 -0.203 8.189 11.728 1.00 25.51 H new ATOM 0 HD2 TYR A 76 -3.507 6.032 10.077 1.00 61.41 H new ATOM 0 HE1 TYR A 76 -0.923 7.562 13.984 1.00 21.13 H new ATOM 0 HE2 TYR A 76 -4.223 5.409 12.346 1.00 4.01 H new ATOM 0 HH TYR A 76 -3.582 5.296 14.521 1.00 53.24 H new ATOM 1306 N LYS A 77 0.988 9.371 7.893 1.00 22.13 N ATOM 1307 CA LYS A 77 1.884 9.523 6.736 1.00 40.44 C ATOM 1308 C LYS A 77 2.045 8.135 6.090 1.00 74.10 C ATOM 1309 O LYS A 77 2.774 7.284 6.601 1.00 30.43 O ATOM 1310 CB LYS A 77 3.264 10.144 7.169 1.00 75.00 C ATOM 1311 CG LYS A 77 4.039 10.901 6.047 1.00 14.35 C ATOM 1312 CD LYS A 77 4.581 9.983 4.916 1.00 61.00 C ATOM 1313 CE LYS A 77 5.208 10.776 3.754 1.00 34.14 C ATOM 1314 NZ LYS A 77 6.339 11.640 4.196 1.00 24.11 N ATOM 0 H LYS A 77 1.480 9.286 8.783 1.00 22.13 H new ATOM 0 HA LYS A 77 1.462 10.215 6.008 1.00 40.44 H new ATOM 0 HB2 LYS A 77 3.090 10.833 7.995 1.00 75.00 H new ATOM 0 HB3 LYS A 77 3.899 9.344 7.550 1.00 75.00 H new ATOM 0 HG2 LYS A 77 3.380 11.650 5.607 1.00 14.35 H new ATOM 0 HG3 LYS A 77 4.875 11.437 6.497 1.00 14.35 H new ATOM 0 HD2 LYS A 77 5.326 9.304 5.331 1.00 61.00 H new ATOM 0 HD3 LYS A 77 3.767 9.367 4.533 1.00 61.00 H new ATOM 0 HE2 LYS A 77 5.562 10.080 2.993 1.00 34.14 H new ATOM 0 HE3 LYS A 77 4.443 11.396 3.287 1.00 34.14 H new ATOM 0 HZ1 LYS A 77 6.747 12.126 3.372 1.00 24.11 H new ATOM 0 HZ2 LYS A 77 5.992 12.345 4.877 1.00 24.11 H new ATOM 0 HZ3 LYS A 77 7.069 11.053 4.648 1.00 24.11 H new ATOM 1328 N VAL A 78 1.301 7.908 5.000 1.00 4.23 N ATOM 1329 CA VAL A 78 1.258 6.615 4.292 1.00 33.43 C ATOM 1330 C VAL A 78 1.928 6.726 2.917 1.00 12.45 C ATOM 1331 O VAL A 78 1.681 7.677 2.164 1.00 21.53 O ATOM 1332 CB VAL A 78 -0.225 6.121 4.133 1.00 54.14 C ATOM 1333 CG1 VAL A 78 -0.339 4.757 3.404 1.00 20.21 C ATOM 1334 CG2 VAL A 78 -0.912 6.076 5.507 1.00 51.04 C ATOM 0 H VAL A 78 0.706 8.621 4.578 1.00 4.23 H new ATOM 0 HA VAL A 78 1.807 5.885 4.887 1.00 33.43 H new ATOM 0 HB VAL A 78 -0.738 6.842 3.496 1.00 54.14 H new ATOM 0 HG11 VAL A 78 -1.388 4.472 3.327 1.00 20.21 H new ATOM 0 HG12 VAL A 78 0.089 4.842 2.405 1.00 20.21 H new ATOM 0 HG13 VAL A 78 0.202 3.997 3.967 1.00 20.21 H new ATOM 0 HG21 VAL A 78 -1.940 5.733 5.389 1.00 51.04 H new ATOM 0 HG22 VAL A 78 -0.373 5.390 6.161 1.00 51.04 H new ATOM 0 HG23 VAL A 78 -0.911 7.073 5.947 1.00 51.04 H new ATOM 1344 N PHE A 79 2.771 5.738 2.607 1.00 54.55 N ATOM 1345 CA PHE A 79 3.405 5.583 1.297 1.00 13.45 C ATOM 1346 C PHE A 79 2.621 4.506 0.522 1.00 15.41 C ATOM 1347 O PHE A 79 2.413 3.409 1.045 1.00 64.45 O ATOM 1348 CB PHE A 79 4.871 5.132 1.468 1.00 33.30 C ATOM 1349 CG PHE A 79 5.814 6.109 2.189 1.00 53.12 C ATOM 1350 CD1 PHE A 79 5.948 6.091 3.579 1.00 20.30 C ATOM 1351 CD2 PHE A 79 6.596 7.016 1.472 1.00 43.34 C ATOM 1352 CE1 PHE A 79 6.826 6.947 4.222 1.00 1.34 C ATOM 1353 CE2 PHE A 79 7.475 7.865 2.116 1.00 32.31 C ATOM 1354 CZ PHE A 79 7.588 7.832 3.493 1.00 44.40 C ATOM 0 H PHE A 79 3.036 5.011 3.271 1.00 54.55 H new ATOM 0 HA PHE A 79 3.396 6.531 0.758 1.00 13.45 H new ATOM 0 HB2 PHE A 79 4.875 4.189 2.015 1.00 33.30 H new ATOM 0 HB3 PHE A 79 5.282 4.929 0.479 1.00 33.30 H new ATOM 0 HD1 PHE A 79 5.358 5.399 4.161 1.00 20.30 H new ATOM 0 HD2 PHE A 79 6.512 7.055 0.396 1.00 43.34 H new ATOM 0 HE1 PHE A 79 6.913 6.920 5.298 1.00 1.34 H new ATOM 0 HE2 PHE A 79 8.075 8.556 1.542 1.00 32.31 H new ATOM 0 HZ PHE A 79 8.273 8.499 3.996 1.00 44.40 H new ATOM 1364 N LEU A 80 2.193 4.818 -0.704 1.00 25.01 N ATOM 1365 CA LEU A 80 1.362 3.916 -1.527 1.00 75.22 C ATOM 1366 C LEU A 80 2.111 3.460 -2.792 1.00 54.01 C ATOM 1367 O LEU A 80 2.694 4.279 -3.504 1.00 60.20 O ATOM 1368 CB LEU A 80 0.033 4.623 -1.916 1.00 25.13 C ATOM 1369 CG LEU A 80 -0.890 3.849 -2.921 1.00 43.23 C ATOM 1370 CD1 LEU A 80 -1.241 2.450 -2.403 1.00 1.50 C ATOM 1371 CD2 LEU A 80 -2.159 4.654 -3.257 1.00 71.31 C ATOM 0 H LEU A 80 2.410 5.704 -1.161 1.00 25.01 H new ATOM 0 HA LEU A 80 1.138 3.030 -0.934 1.00 75.22 H new ATOM 0 HB2 LEU A 80 -0.534 4.813 -1.005 1.00 25.13 H new ATOM 0 HB3 LEU A 80 0.274 5.594 -2.349 1.00 25.13 H new ATOM 0 HG LEU A 80 -0.325 3.724 -3.845 1.00 43.23 H new ATOM 0 HD11 LEU A 80 -1.881 1.944 -3.126 1.00 1.50 H new ATOM 0 HD12 LEU A 80 -0.326 1.874 -2.263 1.00 1.50 H new ATOM 0 HD13 LEU A 80 -1.765 2.535 -1.451 1.00 1.50 H new ATOM 0 HD21 LEU A 80 -2.775 4.088 -3.956 1.00 71.31 H new ATOM 0 HD22 LEU A 80 -2.724 4.840 -2.344 1.00 71.31 H new ATOM 0 HD23 LEU A 80 -1.878 5.605 -3.710 1.00 71.31 H new ATOM 1383 N LEU A 81 2.079 2.139 -3.066 1.00 4.11 N ATOM 1384 CA LEU A 81 2.552 1.571 -4.339 1.00 73.31 C ATOM 1385 C LEU A 81 1.371 0.972 -5.112 1.00 35.33 C ATOM 1386 O LEU A 81 0.615 0.157 -4.574 1.00 40.45 O ATOM 1387 CB LEU A 81 3.643 0.484 -4.128 1.00 14.13 C ATOM 1388 CG LEU A 81 4.338 -0.012 -5.444 1.00 54.12 C ATOM 1389 CD1 LEU A 81 4.866 1.178 -6.279 1.00 50.45 C ATOM 1390 CD2 LEU A 81 5.461 -1.020 -5.147 1.00 71.34 C ATOM 0 H LEU A 81 1.725 1.441 -2.412 1.00 4.11 H new ATOM 0 HA LEU A 81 3.001 2.383 -4.911 1.00 73.31 H new ATOM 0 HB2 LEU A 81 4.406 0.880 -3.457 1.00 14.13 H new ATOM 0 HB3 LEU A 81 3.191 -0.372 -3.627 1.00 14.13 H new ATOM 0 HG LEU A 81 3.582 -0.529 -6.036 1.00 54.12 H new ATOM 0 HD11 LEU A 81 5.343 0.804 -7.185 1.00 50.45 H new ATOM 0 HD12 LEU A 81 4.035 1.830 -6.549 1.00 50.45 H new ATOM 0 HD13 LEU A 81 5.593 1.740 -5.692 1.00 50.45 H new ATOM 0 HD21 LEU A 81 5.919 -1.341 -6.083 1.00 71.34 H new ATOM 0 HD22 LEU A 81 6.215 -0.549 -4.517 1.00 71.34 H new ATOM 0 HD23 LEU A 81 5.046 -1.886 -4.631 1.00 71.34 H new ATOM 1402 N LEU A 82 1.214 1.410 -6.365 1.00 24.12 N ATOM 1403 CA LEU A 82 0.218 0.876 -7.297 1.00 42.40 C ATOM 1404 C LEU A 82 0.932 0.123 -8.441 1.00 21.00 C ATOM 1405 O LEU A 82 1.686 0.725 -9.218 1.00 55.14 O ATOM 1406 CB LEU A 82 -0.639 2.035 -7.858 1.00 53.31 C ATOM 1407 CG LEU A 82 -1.517 2.823 -6.839 1.00 74.14 C ATOM 1408 CD1 LEU A 82 -2.186 4.045 -7.507 1.00 30.25 C ATOM 1409 CD2 LEU A 82 -2.568 1.900 -6.187 1.00 62.13 C ATOM 0 H LEU A 82 1.783 2.156 -6.765 1.00 24.12 H new ATOM 0 HA LEU A 82 -0.438 0.178 -6.776 1.00 42.40 H new ATOM 0 HB2 LEU A 82 0.029 2.743 -8.349 1.00 53.31 H new ATOM 0 HB3 LEU A 82 -1.295 1.629 -8.628 1.00 53.31 H new ATOM 0 HG LEU A 82 -0.862 3.195 -6.051 1.00 74.14 H new ATOM 0 HD11 LEU A 82 -2.792 4.575 -6.772 1.00 30.25 H new ATOM 0 HD12 LEU A 82 -1.418 4.714 -7.894 1.00 30.25 H new ATOM 0 HD13 LEU A 82 -2.821 3.709 -8.327 1.00 30.25 H new ATOM 0 HD21 LEU A 82 -3.168 2.474 -5.480 1.00 62.13 H new ATOM 0 HD22 LEU A 82 -3.216 1.484 -6.959 1.00 62.13 H new ATOM 0 HD23 LEU A 82 -2.064 1.089 -5.661 1.00 62.13 H new ATOM 1421 N GLN A 83 0.708 -1.203 -8.511 1.00 4.23 N ATOM 1422 CA GLN A 83 1.235 -2.067 -9.576 1.00 72.42 C ATOM 1423 C GLN A 83 0.111 -2.377 -10.568 1.00 52.51 C ATOM 1424 O GLN A 83 -0.866 -3.051 -10.217 1.00 21.31 O ATOM 1425 CB GLN A 83 1.830 -3.389 -9.007 1.00 71.40 C ATOM 1426 CG GLN A 83 2.674 -4.189 -10.040 1.00 75.22 C ATOM 1427 CD GLN A 83 3.219 -5.519 -9.517 1.00 11.44 C ATOM 1428 OE1 GLN A 83 3.426 -5.699 -8.317 1.00 73.20 O ATOM 1429 NE2 GLN A 83 3.492 -6.451 -10.423 1.00 2.14 N ATOM 0 H GLN A 83 0.150 -1.706 -7.821 1.00 4.23 H new ATOM 0 HA GLN A 83 2.045 -1.539 -10.080 1.00 72.42 H new ATOM 0 HB2 GLN A 83 2.454 -3.155 -8.144 1.00 71.40 H new ATOM 0 HB3 GLN A 83 1.016 -4.020 -8.650 1.00 71.40 H new ATOM 0 HG2 GLN A 83 2.061 -4.383 -10.920 1.00 75.22 H new ATOM 0 HG3 GLN A 83 3.510 -3.570 -10.365 1.00 75.22 H new ATOM 0 HE21 GLN A 83 3.309 -6.272 -11.410 1.00 2.14 H new ATOM 0 HE22 GLN A 83 3.885 -7.346 -10.131 1.00 2.14 H new ATOM 1438 N ASP A 84 0.249 -1.849 -11.788 1.00 2.00 N ATOM 1439 CA ASP A 84 -0.687 -2.090 -12.892 1.00 51.44 C ATOM 1440 C ASP A 84 0.071 -1.889 -14.213 1.00 21.05 C ATOM 1441 O ASP A 84 0.855 -0.942 -14.345 1.00 62.53 O ATOM 1442 CB ASP A 84 -1.904 -1.134 -12.784 1.00 21.33 C ATOM 1443 CG ASP A 84 -3.018 -1.430 -13.803 1.00 0.41 C ATOM 1444 OD1 ASP A 84 -3.875 -2.306 -13.530 1.00 74.31 O ATOM 1445 OD2 ASP A 84 -3.037 -0.807 -14.887 1.00 32.24 O ATOM 0 H ASP A 84 1.023 -1.235 -12.040 1.00 2.00 H new ATOM 0 HA ASP A 84 -1.074 -3.108 -12.850 1.00 51.44 H new ATOM 0 HB2 ASP A 84 -2.318 -1.200 -11.778 1.00 21.33 H new ATOM 0 HB3 ASP A 84 -1.562 -0.108 -12.921 1.00 21.33 H new ATOM 1450 N GLN A 85 -0.163 -2.786 -15.181 1.00 53.13 N ATOM 1451 CA GLN A 85 0.598 -2.834 -16.452 1.00 4.34 C ATOM 1452 C GLN A 85 0.206 -1.706 -17.426 1.00 24.04 C ATOM 1453 O GLN A 85 0.924 -1.457 -18.398 1.00 35.42 O ATOM 1454 CB GLN A 85 0.391 -4.206 -17.134 1.00 40.42 C ATOM 1455 CG GLN A 85 0.809 -5.414 -16.275 1.00 70.52 C ATOM 1456 CD GLN A 85 0.507 -6.744 -16.964 1.00 0.15 C ATOM 1457 OE1 GLN A 85 1.347 -7.293 -17.677 1.00 51.30 O ATOM 1458 NE2 GLN A 85 -0.703 -7.256 -16.785 1.00 23.11 N ATOM 0 H GLN A 85 -0.885 -3.503 -15.111 1.00 53.13 H new ATOM 0 HA GLN A 85 1.649 -2.691 -16.201 1.00 4.34 H new ATOM 0 HB2 GLN A 85 -0.661 -4.311 -17.399 1.00 40.42 H new ATOM 0 HB3 GLN A 85 0.958 -4.224 -18.065 1.00 40.42 H new ATOM 0 HG2 GLN A 85 1.876 -5.353 -16.059 1.00 70.52 H new ATOM 0 HG3 GLN A 85 0.288 -5.375 -15.319 1.00 70.52 H new ATOM 0 HE21 GLN A 85 -1.376 -6.776 -16.188 1.00 23.11 H new ATOM 0 HE22 GLN A 85 -0.960 -8.129 -17.245 1.00 23.11 H new ATOM 1467 N ASP A 86 -0.927 -1.042 -17.163 1.00 25.01 N ATOM 1468 CA ASP A 86 -1.434 0.061 -17.998 1.00 0.12 C ATOM 1469 C ASP A 86 -1.210 1.387 -17.265 1.00 53.33 C ATOM 1470 O ASP A 86 -2.098 1.900 -16.581 1.00 33.25 O ATOM 1471 CB ASP A 86 -2.931 -0.167 -18.360 1.00 1.42 C ATOM 1472 CG ASP A 86 -3.129 -1.189 -19.492 1.00 55.50 C ATOM 1473 OD1 ASP A 86 -3.085 -0.785 -20.675 1.00 55.22 O ATOM 1474 OD2 ASP A 86 -3.321 -2.395 -19.214 1.00 13.13 O ATOM 0 H ASP A 86 -1.522 -1.254 -16.362 1.00 25.01 H new ATOM 0 HA ASP A 86 -0.888 0.095 -18.941 1.00 0.12 H new ATOM 0 HB2 ASP A 86 -3.465 -0.508 -17.473 1.00 1.42 H new ATOM 0 HB3 ASP A 86 -3.376 0.783 -18.655 1.00 1.42 H new ATOM 1479 N GLU A 87 0.020 1.910 -17.416 1.00 30.12 N ATOM 1480 CA GLU A 87 0.507 3.124 -16.733 1.00 23.03 C ATOM 1481 C GLU A 87 -0.291 4.391 -17.094 1.00 44.51 C ATOM 1482 O GLU A 87 -0.266 5.362 -16.331 1.00 42.43 O ATOM 1483 CB GLU A 87 2.010 3.342 -17.051 1.00 54.11 C ATOM 1484 CG GLU A 87 2.959 2.342 -16.360 1.00 72.40 C ATOM 1485 CD GLU A 87 4.446 2.662 -16.601 1.00 4.35 C ATOM 1486 OE1 GLU A 87 5.005 3.514 -15.873 1.00 40.11 O ATOM 1487 OE2 GLU A 87 5.054 2.083 -17.526 1.00 21.23 O ATOM 0 H GLU A 87 0.719 1.492 -18.030 1.00 30.12 H new ATOM 0 HA GLU A 87 0.364 2.958 -15.665 1.00 23.03 H new ATOM 0 HB2 GLU A 87 2.154 3.275 -18.129 1.00 54.11 H new ATOM 0 HB3 GLU A 87 2.289 4.353 -16.754 1.00 54.11 H new ATOM 0 HG2 GLU A 87 2.762 2.343 -15.288 1.00 72.40 H new ATOM 0 HG3 GLU A 87 2.746 1.336 -16.723 1.00 72.40 H new ATOM 1494 N ASN A 88 -0.964 4.381 -18.260 1.00 70.44 N ATOM 1495 CA ASN A 88 -1.793 5.512 -18.725 1.00 33.43 C ATOM 1496 C ASN A 88 -2.966 5.762 -17.752 1.00 32.52 C ATOM 1497 O ASN A 88 -3.064 6.842 -17.158 1.00 54.34 O ATOM 1498 CB ASN A 88 -2.302 5.241 -20.173 1.00 63.24 C ATOM 1499 CG ASN A 88 -1.196 5.281 -21.239 1.00 14.33 C ATOM 1500 OD1 ASN A 88 -0.020 5.050 -20.961 1.00 23.21 O ATOM 1501 ND2 ASN A 88 -1.577 5.549 -22.475 1.00 22.14 N ATOM 0 H ASN A 88 -0.949 3.591 -18.906 1.00 70.44 H new ATOM 0 HA ASN A 88 -1.183 6.415 -18.743 1.00 33.43 H new ATOM 0 HB2 ASN A 88 -2.785 4.264 -20.201 1.00 63.24 H new ATOM 0 HB3 ASN A 88 -3.063 5.980 -20.425 1.00 63.24 H new ATOM 0 HD21 ASN A 88 -0.889 5.568 -23.228 1.00 22.14 H new ATOM 0 HD22 ASN A 88 -2.559 5.737 -22.677 1.00 22.14 H new ATOM 1508 N GLU A 89 -3.807 4.726 -17.545 1.00 11.54 N ATOM 1509 CA GLU A 89 -4.975 4.803 -16.635 1.00 44.23 C ATOM 1510 C GLU A 89 -4.516 4.792 -15.159 1.00 61.04 C ATOM 1511 O GLU A 89 -5.180 5.369 -14.290 1.00 21.14 O ATOM 1512 CB GLU A 89 -5.962 3.636 -16.911 1.00 15.24 C ATOM 1513 CG GLU A 89 -5.374 2.229 -16.655 1.00 41.30 C ATOM 1514 CD GLU A 89 -6.287 1.079 -17.113 1.00 33.20 C ATOM 1515 OE1 GLU A 89 -6.243 0.718 -18.311 1.00 22.40 O ATOM 1516 OE2 GLU A 89 -7.059 0.541 -16.292 1.00 45.34 O ATOM 0 H GLU A 89 -3.699 3.819 -17.999 1.00 11.54 H new ATOM 0 HA GLU A 89 -5.495 5.742 -16.824 1.00 44.23 H new ATOM 0 HB2 GLU A 89 -6.845 3.767 -16.285 1.00 15.24 H new ATOM 0 HB3 GLU A 89 -6.294 3.695 -17.947 1.00 15.24 H new ATOM 0 HG2 GLU A 89 -4.417 2.147 -17.170 1.00 41.30 H new ATOM 0 HG3 GLU A 89 -5.173 2.118 -15.589 1.00 41.30 H new ATOM 1523 N LEU A 90 -3.362 4.132 -14.911 1.00 11.15 N ATOM 1524 CA LEU A 90 -2.749 3.999 -13.578 1.00 5.00 C ATOM 1525 C LEU A 90 -2.288 5.362 -13.025 1.00 3.54 C ATOM 1526 O LEU A 90 -2.400 5.615 -11.826 1.00 52.32 O ATOM 1527 CB LEU A 90 -1.541 3.025 -13.646 1.00 64.41 C ATOM 1528 CG LEU A 90 -0.762 2.788 -12.315 1.00 74.42 C ATOM 1529 CD1 LEU A 90 -1.690 2.226 -11.224 1.00 33.13 C ATOM 1530 CD2 LEU A 90 0.476 1.889 -12.539 1.00 15.44 C ATOM 0 H LEU A 90 -2.825 3.671 -15.646 1.00 11.15 H new ATOM 0 HA LEU A 90 -3.506 3.601 -12.902 1.00 5.00 H new ATOM 0 HB2 LEU A 90 -1.900 2.061 -14.008 1.00 64.41 H new ATOM 0 HB3 LEU A 90 -0.839 3.403 -14.389 1.00 64.41 H new ATOM 0 HG LEU A 90 -0.396 3.753 -11.964 1.00 74.42 H new ATOM 0 HD11 LEU A 90 -1.121 2.070 -10.307 1.00 33.13 H new ATOM 0 HD12 LEU A 90 -2.498 2.933 -11.034 1.00 33.13 H new ATOM 0 HD13 LEU A 90 -2.109 1.276 -11.557 1.00 33.13 H new ATOM 0 HD21 LEU A 90 0.996 1.744 -11.592 1.00 15.44 H new ATOM 0 HD22 LEU A 90 0.158 0.923 -12.930 1.00 15.44 H new ATOM 0 HD23 LEU A 90 1.148 2.366 -13.253 1.00 15.44 H new ATOM 1542 N GLU A 91 -1.755 6.218 -13.914 1.00 52.13 N ATOM 1543 CA GLU A 91 -1.270 7.561 -13.550 1.00 62.01 C ATOM 1544 C GLU A 91 -2.453 8.500 -13.276 1.00 54.03 C ATOM 1545 O GLU A 91 -2.396 9.323 -12.355 1.00 73.04 O ATOM 1546 CB GLU A 91 -0.365 8.122 -14.667 1.00 62.21 C ATOM 1547 CG GLU A 91 0.273 9.489 -14.350 1.00 61.41 C ATOM 1548 CD GLU A 91 1.288 9.909 -15.414 1.00 14.21 C ATOM 1549 OE1 GLU A 91 2.421 9.378 -15.394 1.00 20.32 O ATOM 1550 OE2 GLU A 91 0.958 10.742 -16.287 1.00 5.25 O ATOM 0 H GLU A 91 -1.648 5.999 -14.904 1.00 52.13 H new ATOM 0 HA GLU A 91 -0.679 7.487 -12.637 1.00 62.01 H new ATOM 0 HB2 GLU A 91 0.429 7.403 -14.868 1.00 62.21 H new ATOM 0 HB3 GLU A 91 -0.952 8.213 -15.581 1.00 62.21 H new ATOM 0 HG2 GLU A 91 -0.509 10.245 -14.276 1.00 61.41 H new ATOM 0 HG3 GLU A 91 0.765 9.443 -13.378 1.00 61.41 H new ATOM 1557 N GLU A 92 -3.518 8.350 -14.088 1.00 63.55 N ATOM 1558 CA GLU A 92 -4.796 9.056 -13.883 1.00 64.45 C ATOM 1559 C GLU A 92 -5.429 8.684 -12.521 1.00 2.34 C ATOM 1560 O GLU A 92 -6.100 9.505 -11.905 1.00 22.01 O ATOM 1561 CB GLU A 92 -5.786 8.732 -15.023 1.00 3.11 C ATOM 1562 CG GLU A 92 -5.323 9.157 -16.433 1.00 10.13 C ATOM 1563 CD GLU A 92 -6.385 8.849 -17.507 1.00 13.13 C ATOM 1564 OE1 GLU A 92 -6.663 7.657 -17.742 1.00 65.00 O ATOM 1565 OE2 GLU A 92 -6.963 9.794 -18.093 1.00 2.42 O ATOM 0 H GLU A 92 -3.516 7.737 -14.903 1.00 63.55 H new ATOM 0 HA GLU A 92 -4.585 10.125 -13.886 1.00 64.45 H new ATOM 0 HB2 GLU A 92 -5.972 7.658 -15.027 1.00 3.11 H new ATOM 0 HB3 GLU A 92 -6.737 9.220 -14.807 1.00 3.11 H new ATOM 0 HG2 GLU A 92 -5.103 10.225 -16.436 1.00 10.13 H new ATOM 0 HG3 GLU A 92 -4.396 8.640 -16.681 1.00 10.13 H new ATOM 1572 N PHE A 93 -5.204 7.430 -12.079 1.00 74.41 N ATOM 1573 CA PHE A 93 -5.677 6.922 -10.775 1.00 51.34 C ATOM 1574 C PHE A 93 -4.729 7.381 -9.639 1.00 12.42 C ATOM 1575 O PHE A 93 -5.182 7.663 -8.519 1.00 34.23 O ATOM 1576 CB PHE A 93 -5.777 5.369 -10.828 1.00 4.31 C ATOM 1577 CG PHE A 93 -6.267 4.703 -9.535 1.00 73.25 C ATOM 1578 CD1 PHE A 93 -7.539 4.978 -9.030 1.00 32.41 C ATOM 1579 CD2 PHE A 93 -5.464 3.798 -8.828 1.00 24.44 C ATOM 1580 CE1 PHE A 93 -7.984 4.377 -7.868 1.00 71.44 C ATOM 1581 CE2 PHE A 93 -5.916 3.201 -7.663 1.00 35.45 C ATOM 1582 CZ PHE A 93 -7.174 3.491 -7.186 1.00 33.50 C ATOM 0 H PHE A 93 -4.686 6.737 -12.620 1.00 74.41 H new ATOM 0 HA PHE A 93 -6.666 7.329 -10.566 1.00 51.34 H new ATOM 0 HB2 PHE A 93 -6.450 5.091 -11.639 1.00 4.31 H new ATOM 0 HB3 PHE A 93 -4.795 4.966 -11.077 1.00 4.31 H new ATOM 0 HD1 PHE A 93 -8.183 5.669 -9.554 1.00 32.41 H new ATOM 0 HD2 PHE A 93 -4.477 3.562 -9.198 1.00 24.44 H new ATOM 0 HE1 PHE A 93 -8.971 4.602 -7.491 1.00 71.44 H new ATOM 0 HE2 PHE A 93 -5.282 2.509 -7.129 1.00 35.45 H new ATOM 0 HZ PHE A 93 -7.528 3.025 -6.278 1.00 33.50 H new ATOM 1592 N LYS A 94 -3.415 7.442 -9.952 1.00 73.34 N ATOM 1593 CA LYS A 94 -2.360 7.833 -8.998 1.00 3.11 C ATOM 1594 C LYS A 94 -2.564 9.268 -8.510 1.00 3.12 C ATOM 1595 O LYS A 94 -2.604 9.510 -7.303 1.00 40.41 O ATOM 1596 CB LYS A 94 -0.946 7.682 -9.637 1.00 55.21 C ATOM 1597 CG LYS A 94 0.213 8.190 -8.738 1.00 10.44 C ATOM 1598 CD LYS A 94 1.614 7.877 -9.302 1.00 15.10 C ATOM 1599 CE LYS A 94 1.961 8.705 -10.549 1.00 61.11 C ATOM 1600 NZ LYS A 94 2.218 10.129 -10.224 1.00 31.52 N ATOM 0 H LYS A 94 -3.057 7.219 -10.881 1.00 73.34 H new ATOM 0 HA LYS A 94 -2.428 7.163 -8.141 1.00 3.11 H new ATOM 0 HB2 LYS A 94 -0.776 6.631 -9.872 1.00 55.21 H new ATOM 0 HB3 LYS A 94 -0.925 8.227 -10.581 1.00 55.21 H new ATOM 0 HG2 LYS A 94 0.115 9.268 -8.608 1.00 10.44 H new ATOM 0 HG3 LYS A 94 0.119 7.740 -7.750 1.00 10.44 H new ATOM 0 HD2 LYS A 94 2.360 8.064 -8.530 1.00 15.10 H new ATOM 0 HD3 LYS A 94 1.671 6.817 -9.550 1.00 15.10 H new ATOM 0 HE2 LYS A 94 2.841 8.280 -11.032 1.00 61.11 H new ATOM 0 HE3 LYS A 94 1.142 8.640 -11.265 1.00 61.11 H new ATOM 0 HZ1 LYS A 94 1.551 10.731 -10.748 1.00 31.52 H new ATOM 0 HZ2 LYS A 94 2.092 10.280 -9.203 1.00 31.52 H new ATOM 0 HZ3 LYS A 94 3.192 10.376 -10.493 1.00 31.52 H new ATOM 1614 N ARG A 95 -2.733 10.196 -9.479 1.00 61.34 N ATOM 1615 CA ARG A 95 -2.819 11.651 -9.226 1.00 71.23 C ATOM 1616 C ARG A 95 -4.002 12.033 -8.310 1.00 64.14 C ATOM 1617 O ARG A 95 -3.963 13.085 -7.675 1.00 32.51 O ATOM 1618 CB ARG A 95 -2.899 12.440 -10.562 1.00 11.14 C ATOM 1619 CG ARG A 95 -4.113 12.110 -11.458 1.00 34.10 C ATOM 1620 CD ARG A 95 -4.262 13.084 -12.643 1.00 52.21 C ATOM 1621 NE ARG A 95 -4.536 14.464 -12.190 1.00 35.34 N ATOM 1622 CZ ARG A 95 -5.088 15.444 -12.928 1.00 3.34 C ATOM 1623 NH1 ARG A 95 -5.453 15.235 -14.195 1.00 25.52 N ATOM 1624 NH2 ARG A 95 -5.275 16.639 -12.382 1.00 13.30 N ATOM 0 H ARG A 95 -2.814 9.953 -10.466 1.00 61.34 H new ATOM 0 HA ARG A 95 -1.905 11.926 -8.699 1.00 71.23 H new ATOM 0 HB2 ARG A 95 -2.917 13.506 -10.334 1.00 11.14 H new ATOM 0 HB3 ARG A 95 -1.988 12.251 -11.130 1.00 11.14 H new ATOM 0 HG2 ARG A 95 -4.012 11.094 -11.839 1.00 34.10 H new ATOM 0 HG3 ARG A 95 -5.021 12.136 -10.856 1.00 34.10 H new ATOM 0 HD2 ARG A 95 -3.350 13.072 -13.240 1.00 52.21 H new ATOM 0 HD3 ARG A 95 -5.071 12.747 -13.291 1.00 52.21 H new ATOM 0 HE ARG A 95 -4.283 14.695 -11.229 1.00 35.34 H new ATOM 0 HH11 ARG A 95 -5.315 14.319 -14.621 1.00 25.52 H new ATOM 0 HH12 ARG A 95 -5.870 15.992 -14.737 1.00 25.52 H new ATOM 0 HH21 ARG A 95 -5.001 16.806 -11.414 1.00 13.30 H new ATOM 0 HH22 ARG A 95 -5.693 17.391 -12.931 1.00 13.30 H new ATOM 1638 N LYS A 96 -5.042 11.174 -8.271 1.00 44.21 N ATOM 1639 CA LYS A 96 -6.210 11.344 -7.384 1.00 52.34 C ATOM 1640 C LYS A 96 -5.769 11.266 -5.907 1.00 33.24 C ATOM 1641 O LYS A 96 -5.956 12.204 -5.125 1.00 74.03 O ATOM 1642 CB LYS A 96 -7.264 10.228 -7.663 1.00 51.02 C ATOM 1643 CG LYS A 96 -7.684 10.082 -9.139 1.00 61.21 C ATOM 1644 CD LYS A 96 -8.765 8.989 -9.350 1.00 2.33 C ATOM 1645 CE LYS A 96 -9.130 8.797 -10.833 1.00 35.04 C ATOM 1646 NZ LYS A 96 -9.562 10.065 -11.483 1.00 34.43 N ATOM 0 H LYS A 96 -5.095 10.340 -8.856 1.00 44.21 H new ATOM 0 HA LYS A 96 -6.654 12.320 -7.580 1.00 52.34 H new ATOM 0 HB2 LYS A 96 -6.861 9.275 -7.320 1.00 51.02 H new ATOM 0 HB3 LYS A 96 -8.153 10.432 -7.066 1.00 51.02 H new ATOM 0 HG2 LYS A 96 -8.064 11.038 -9.500 1.00 61.21 H new ATOM 0 HG3 LYS A 96 -6.807 9.840 -9.740 1.00 61.21 H new ATOM 0 HD2 LYS A 96 -8.405 8.044 -8.943 1.00 2.33 H new ATOM 0 HD3 LYS A 96 -9.661 9.257 -8.791 1.00 2.33 H new ATOM 0 HE2 LYS A 96 -8.269 8.394 -11.366 1.00 35.04 H new ATOM 0 HE3 LYS A 96 -9.929 8.060 -10.915 1.00 35.04 H new ATOM 0 HZ1 LYS A 96 -9.893 9.865 -12.448 1.00 34.43 H new ATOM 0 HZ2 LYS A 96 -10.335 10.491 -10.933 1.00 34.43 H new ATOM 0 HZ3 LYS A 96 -8.760 10.726 -11.522 1.00 34.43 H new ATOM 1660 N ILE A 97 -5.122 10.138 -5.583 1.00 4.24 N ATOM 1661 CA ILE A 97 -4.724 9.765 -4.213 1.00 45.23 C ATOM 1662 C ILE A 97 -3.449 10.535 -3.783 1.00 11.04 C ATOM 1663 O ILE A 97 -3.240 10.825 -2.597 1.00 65.34 O ATOM 1664 CB ILE A 97 -4.488 8.212 -4.142 1.00 21.54 C ATOM 1665 CG1 ILE A 97 -5.745 7.446 -4.678 1.00 24.13 C ATOM 1666 CG2 ILE A 97 -4.134 7.764 -2.704 1.00 52.11 C ATOM 1667 CD1 ILE A 97 -5.553 5.952 -4.853 1.00 43.45 C ATOM 0 H ILE A 97 -4.854 9.442 -6.279 1.00 4.24 H new ATOM 0 HA ILE A 97 -5.523 10.036 -3.523 1.00 45.23 H new ATOM 0 HB ILE A 97 -3.638 7.966 -4.779 1.00 21.54 H new ATOM 0 HG12 ILE A 97 -6.575 7.613 -3.992 1.00 24.13 H new ATOM 0 HG13 ILE A 97 -6.033 7.876 -5.637 1.00 24.13 H new ATOM 0 HG21 ILE A 97 -3.977 6.686 -2.687 1.00 52.11 H new ATOM 0 HG22 ILE A 97 -3.224 8.269 -2.379 1.00 52.11 H new ATOM 0 HG23 ILE A 97 -4.952 8.022 -2.031 1.00 52.11 H new ATOM 0 HD11 ILE A 97 -6.475 5.508 -5.227 1.00 43.45 H new ATOM 0 HD12 ILE A 97 -4.748 5.770 -5.564 1.00 43.45 H new ATOM 0 HD13 ILE A 97 -5.298 5.503 -3.893 1.00 43.45 H new ATOM 1679 N GLU A 98 -2.634 10.889 -4.781 1.00 40.30 N ATOM 1680 CA GLU A 98 -1.409 11.682 -4.609 1.00 23.20 C ATOM 1681 C GLU A 98 -1.779 13.132 -4.232 1.00 73.02 C ATOM 1682 O GLU A 98 -1.082 13.776 -3.439 1.00 63.42 O ATOM 1683 CB GLU A 98 -0.587 11.624 -5.919 1.00 24.45 C ATOM 1684 CG GLU A 98 0.812 12.256 -5.846 1.00 72.14 C ATOM 1685 CD GLU A 98 1.538 12.197 -7.199 1.00 62.42 C ATOM 1686 OE1 GLU A 98 2.044 11.115 -7.567 1.00 2.22 O ATOM 1687 OE2 GLU A 98 1.582 13.223 -7.914 1.00 62.31 O ATOM 0 H GLU A 98 -2.809 10.628 -5.751 1.00 40.30 H new ATOM 0 HA GLU A 98 -0.800 11.275 -3.802 1.00 23.20 H new ATOM 0 HB2 GLU A 98 -0.481 10.581 -6.216 1.00 24.45 H new ATOM 0 HB3 GLU A 98 -1.153 12.123 -6.706 1.00 24.45 H new ATOM 0 HG2 GLU A 98 0.725 13.294 -5.525 1.00 72.14 H new ATOM 0 HG3 GLU A 98 1.406 11.738 -5.092 1.00 72.14 H new ATOM 1694 N SER A 99 -2.924 13.603 -4.784 1.00 3.32 N ATOM 1695 CA SER A 99 -3.500 14.921 -4.473 1.00 75.42 C ATOM 1696 C SER A 99 -4.186 14.901 -3.088 1.00 74.22 C ATOM 1697 O SER A 99 -4.386 15.954 -2.473 1.00 62.41 O ATOM 1698 CB SER A 99 -4.504 15.326 -5.578 1.00 22.12 C ATOM 1699 OG SER A 99 -5.066 16.613 -5.354 1.00 61.50 O ATOM 0 H SER A 99 -3.472 13.071 -5.460 1.00 3.32 H new ATOM 0 HA SER A 99 -2.699 15.660 -4.439 1.00 75.42 H new ATOM 0 HB2 SER A 99 -4.000 15.316 -6.545 1.00 22.12 H new ATOM 0 HB3 SER A 99 -5.304 14.587 -5.627 1.00 22.12 H new ATOM 0 HG SER A 99 -5.692 16.827 -6.077 1.00 61.50 H new ATOM 1705 N GLN A 100 -4.545 13.686 -2.604 1.00 13.32 N ATOM 1706 CA GLN A 100 -5.067 13.478 -1.232 1.00 13.24 C ATOM 1707 C GLN A 100 -3.919 13.438 -0.192 1.00 1.20 C ATOM 1708 O GLN A 100 -4.166 13.172 0.990 1.00 1.44 O ATOM 1709 CB GLN A 100 -5.911 12.170 -1.163 1.00 10.41 C ATOM 1710 CG GLN A 100 -7.203 12.188 -2.014 1.00 32.31 C ATOM 1711 CD GLN A 100 -8.009 10.884 -1.921 1.00 11.44 C ATOM 1712 OE1 GLN A 100 -7.445 9.801 -1.744 1.00 64.23 O ATOM 1713 NE2 GLN A 100 -9.329 10.976 -2.042 1.00 13.23 N ATOM 0 H GLN A 100 -4.481 12.828 -3.151 1.00 13.32 H new ATOM 0 HA GLN A 100 -5.710 14.323 -0.987 1.00 13.24 H new ATOM 0 HB2 GLN A 100 -5.290 11.335 -1.488 1.00 10.41 H new ATOM 0 HB3 GLN A 100 -6.180 11.982 -0.124 1.00 10.41 H new ATOM 0 HG2 GLN A 100 -7.831 13.019 -1.692 1.00 32.31 H new ATOM 0 HG3 GLN A 100 -6.941 12.372 -3.056 1.00 32.31 H new ATOM 0 HE21 GLN A 100 -9.766 11.886 -2.188 1.00 13.23 H new ATOM 0 HE22 GLN A 100 -9.906 10.136 -1.989 1.00 13.23 H new ATOM 1722 N GLY A 101 -2.672 13.693 -0.643 1.00 75.03 N ATOM 1723 CA GLY A 101 -1.519 13.830 0.248 1.00 54.24 C ATOM 1724 C GLY A 101 -0.875 12.497 0.585 1.00 60.42 C ATOM 1725 O GLY A 101 -0.503 12.257 1.734 1.00 3.32 O ATOM 0 H GLY A 101 -2.446 13.808 -1.631 1.00 75.03 H new ATOM 0 HA2 GLY A 101 -0.778 14.478 -0.221 1.00 54.24 H new ATOM 0 HA3 GLY A 101 -1.834 14.320 1.170 1.00 54.24 H new ATOM 1729 N TYR A 102 -0.767 11.619 -0.420 1.00 61.41 N ATOM 1730 CA TYR A 102 -0.102 10.308 -0.288 1.00 4.31 C ATOM 1731 C TYR A 102 1.052 10.222 -1.285 1.00 63.21 C ATOM 1732 O TYR A 102 0.896 10.622 -2.446 1.00 62.12 O ATOM 1733 CB TYR A 102 -1.114 9.153 -0.520 1.00 12.44 C ATOM 1734 CG TYR A 102 -2.158 9.025 0.599 1.00 31.34 C ATOM 1735 CD1 TYR A 102 -1.813 8.455 1.820 1.00 75.14 C ATOM 1736 CD2 TYR A 102 -3.470 9.484 0.443 1.00 64.53 C ATOM 1737 CE1 TYR A 102 -2.726 8.348 2.844 1.00 74.04 C ATOM 1738 CE2 TYR A 102 -4.392 9.375 1.469 1.00 74.01 C ATOM 1739 CZ TYR A 102 -4.008 8.803 2.668 1.00 64.33 C ATOM 1740 OH TYR A 102 -4.901 8.695 3.703 1.00 34.43 O ATOM 0 H TYR A 102 -1.139 11.795 -1.353 1.00 61.41 H new ATOM 0 HA TYR A 102 0.291 10.208 0.724 1.00 4.31 H new ATOM 0 HB2 TYR A 102 -1.626 9.313 -1.469 1.00 12.44 H new ATOM 0 HB3 TYR A 102 -0.568 8.213 -0.607 1.00 12.44 H new ATOM 0 HD1 TYR A 102 -0.808 8.089 1.967 1.00 75.14 H new ATOM 0 HD2 TYR A 102 -3.768 9.931 -0.494 1.00 64.53 H new ATOM 0 HE1 TYR A 102 -2.434 7.906 3.785 1.00 74.04 H new ATOM 0 HE2 TYR A 102 -5.402 9.733 1.335 1.00 74.01 H new ATOM 0 HH TYR A 102 -5.750 8.340 3.367 1.00 34.43 H new ATOM 1750 N GLU A 103 2.219 9.733 -0.823 1.00 52.44 N ATOM 1751 CA GLU A 103 3.372 9.491 -1.694 1.00 52.43 C ATOM 1752 C GLU A 103 3.120 8.206 -2.488 1.00 62.43 C ATOM 1753 O GLU A 103 3.390 7.099 -2.012 1.00 63.43 O ATOM 1754 CB GLU A 103 4.697 9.432 -0.872 1.00 71.42 C ATOM 1755 CG GLU A 103 5.974 9.042 -1.673 1.00 30.33 C ATOM 1756 CD GLU A 103 6.200 9.873 -2.955 1.00 35.01 C ATOM 1757 OE1 GLU A 103 6.858 10.937 -2.899 1.00 43.24 O ATOM 1758 OE2 GLU A 103 5.721 9.464 -4.030 1.00 12.40 O ATOM 0 H GLU A 103 2.383 9.498 0.156 1.00 52.44 H new ATOM 0 HA GLU A 103 3.491 10.318 -2.394 1.00 52.43 H new ATOM 0 HB2 GLU A 103 4.862 10.407 -0.414 1.00 71.42 H new ATOM 0 HB3 GLU A 103 4.567 8.716 -0.060 1.00 71.42 H new ATOM 0 HG2 GLU A 103 6.843 9.153 -1.025 1.00 30.33 H new ATOM 0 HG3 GLU A 103 5.911 7.988 -1.944 1.00 30.33 H new ATOM 1765 N VAL A 104 2.570 8.373 -3.698 1.00 73.31 N ATOM 1766 CA VAL A 104 2.159 7.263 -4.556 1.00 12.31 C ATOM 1767 C VAL A 104 3.123 7.156 -5.742 1.00 1.14 C ATOM 1768 O VAL A 104 3.424 8.167 -6.386 1.00 20.40 O ATOM 1769 CB VAL A 104 0.693 7.441 -5.104 1.00 3.11 C ATOM 1770 CG1 VAL A 104 0.209 6.140 -5.782 1.00 52.21 C ATOM 1771 CG2 VAL A 104 -0.291 7.886 -4.000 1.00 43.24 C ATOM 0 H VAL A 104 2.398 9.291 -4.109 1.00 73.31 H new ATOM 0 HA VAL A 104 2.182 6.356 -3.951 1.00 12.31 H new ATOM 0 HB VAL A 104 0.717 8.237 -5.848 1.00 3.11 H new ATOM 0 HG11 VAL A 104 -0.806 6.280 -6.155 1.00 52.21 H new ATOM 0 HG12 VAL A 104 0.871 5.895 -6.613 1.00 52.21 H new ATOM 0 HG13 VAL A 104 0.220 5.326 -5.057 1.00 52.21 H new ATOM 0 HG21 VAL A 104 -1.289 7.996 -4.425 1.00 43.24 H new ATOM 0 HG22 VAL A 104 -0.314 7.136 -3.209 1.00 43.24 H new ATOM 0 HG23 VAL A 104 0.034 8.840 -3.586 1.00 43.24 H new ATOM 1781 N ARG A 105 3.616 5.935 -6.018 1.00 31.30 N ATOM 1782 CA ARG A 105 4.428 5.639 -7.218 1.00 61.34 C ATOM 1783 C ARG A 105 3.755 4.543 -8.060 1.00 10.41 C ATOM 1784 O ARG A 105 2.911 3.779 -7.569 1.00 54.43 O ATOM 1785 CB ARG A 105 5.878 5.221 -6.826 1.00 63.30 C ATOM 1786 CG ARG A 105 6.676 6.327 -6.094 1.00 64.34 C ATOM 1787 CD ARG A 105 6.967 7.562 -6.972 1.00 53.23 C ATOM 1788 NE ARG A 105 7.412 8.711 -6.164 1.00 52.12 N ATOM 1789 CZ ARG A 105 7.910 9.864 -6.641 1.00 75.25 C ATOM 1790 NH1 ARG A 105 8.098 10.045 -7.945 1.00 4.15 N ATOM 1791 NH2 ARG A 105 8.171 10.857 -5.797 1.00 71.42 N ATOM 0 H ARG A 105 3.464 5.125 -5.417 1.00 31.30 H new ATOM 0 HA ARG A 105 4.494 6.547 -7.817 1.00 61.34 H new ATOM 0 HB2 ARG A 105 5.831 4.339 -6.188 1.00 63.30 H new ATOM 0 HB3 ARG A 105 6.419 4.934 -7.728 1.00 63.30 H new ATOM 0 HG2 ARG A 105 6.119 6.642 -5.212 1.00 64.34 H new ATOM 0 HG3 ARG A 105 7.620 5.910 -5.743 1.00 64.34 H new ATOM 0 HD2 ARG A 105 7.734 7.314 -7.706 1.00 53.23 H new ATOM 0 HD3 ARG A 105 6.069 7.833 -7.528 1.00 53.23 H new ATOM 0 HE ARG A 105 7.335 8.623 -5.151 1.00 52.12 H new ATOM 0 HH11 ARG A 105 7.863 9.301 -8.602 1.00 4.15 H new ATOM 0 HH12 ARG A 105 8.477 10.928 -8.288 1.00 4.15 H new ATOM 0 HH21 ARG A 105 7.993 10.739 -4.800 1.00 71.42 H new ATOM 0 HH22 ARG A 105 8.549 11.737 -6.147 1.00 71.42 H new ATOM 1805 N LYS A 106 4.149 4.499 -9.337 1.00 44.34 N ATOM 1806 CA LYS A 106 3.703 3.492 -10.313 1.00 62.05 C ATOM 1807 C LYS A 106 4.743 2.370 -10.404 1.00 3.12 C ATOM 1808 O LYS A 106 5.927 2.583 -10.108 1.00 71.10 O ATOM 1809 CB LYS A 106 3.554 4.155 -11.714 1.00 2.45 C ATOM 1810 CG LYS A 106 2.451 5.238 -11.809 1.00 4.12 C ATOM 1811 CD LYS A 106 2.673 6.223 -12.988 1.00 1.11 C ATOM 1812 CE LYS A 106 2.664 5.556 -14.364 1.00 22.24 C ATOM 1813 NZ LYS A 106 3.031 6.504 -15.451 1.00 34.31 N ATOM 0 H LYS A 106 4.801 5.176 -9.732 1.00 44.34 H new ATOM 0 HA LYS A 106 2.745 3.083 -9.993 1.00 62.05 H new ATOM 0 HB2 LYS A 106 4.508 4.604 -11.991 1.00 2.45 H new ATOM 0 HB3 LYS A 106 3.343 3.377 -12.447 1.00 2.45 H new ATOM 0 HG2 LYS A 106 1.482 4.753 -11.925 1.00 4.12 H new ATOM 0 HG3 LYS A 106 2.418 5.799 -10.875 1.00 4.12 H new ATOM 0 HD2 LYS A 106 1.896 6.987 -12.961 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.627 6.732 -12.848 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.361 4.718 -14.364 1.00 22.24 H new ATOM 0 HE3 LYS A 106 1.673 5.146 -14.561 1.00 22.24 H new ATOM 0 HZ1 LYS A 106 2.396 6.364 -16.263 1.00 34.31 H new ATOM 0 HZ2 LYS A 106 2.941 7.481 -15.105 1.00 34.31 H new ATOM 0 HZ3 LYS A 106 4.013 6.330 -15.746 1.00 34.31 H new ATOM 1827 N VAL A 107 4.278 1.182 -10.812 1.00 40.33 N ATOM 1828 CA VAL A 107 5.150 0.064 -11.195 1.00 33.21 C ATOM 1829 C VAL A 107 4.364 -0.946 -12.060 1.00 31.25 C ATOM 1830 O VAL A 107 3.139 -1.049 -11.960 1.00 12.42 O ATOM 1831 CB VAL A 107 5.809 -0.644 -9.948 1.00 73.21 C ATOM 1832 CG1 VAL A 107 4.765 -1.218 -8.974 1.00 51.22 C ATOM 1833 CG2 VAL A 107 6.818 -1.721 -10.385 1.00 43.44 C ATOM 0 H VAL A 107 3.283 0.969 -10.886 1.00 40.33 H new ATOM 0 HA VAL A 107 5.971 0.473 -11.784 1.00 33.21 H new ATOM 0 HB VAL A 107 6.353 0.127 -9.403 1.00 73.21 H new ATOM 0 HG11 VAL A 107 5.273 -1.694 -8.135 1.00 51.22 H new ATOM 0 HG12 VAL A 107 4.130 -0.412 -8.605 1.00 51.22 H new ATOM 0 HG13 VAL A 107 4.151 -1.955 -9.492 1.00 51.22 H new ATOM 0 HG21 VAL A 107 7.254 -2.190 -9.503 1.00 43.44 H new ATOM 0 HG22 VAL A 107 6.308 -2.476 -10.983 1.00 43.44 H new ATOM 0 HG23 VAL A 107 7.607 -1.260 -10.979 1.00 43.44 H new ATOM 1843 N THR A 108 5.091 -1.645 -12.938 1.00 62.33 N ATOM 1844 CA THR A 108 4.552 -2.690 -13.816 1.00 14.35 C ATOM 1845 C THR A 108 5.258 -4.034 -13.538 1.00 13.34 C ATOM 1846 O THR A 108 4.614 -5.092 -13.500 1.00 31.43 O ATOM 1847 CB THR A 108 4.761 -2.277 -15.311 1.00 40.51 C ATOM 1848 OG1 THR A 108 6.145 -1.951 -15.534 1.00 1.02 O ATOM 1849 CG2 THR A 108 3.903 -1.071 -15.713 1.00 21.03 C ATOM 0 H THR A 108 6.093 -1.497 -13.061 1.00 62.33 H new ATOM 0 HA THR A 108 3.486 -2.807 -13.619 1.00 14.35 H new ATOM 0 HB THR A 108 4.456 -3.127 -15.922 1.00 40.51 H new ATOM 0 HG1 THR A 108 6.274 -1.694 -16.471 1.00 1.02 H new ATOM 0 HG21 THR A 108 4.086 -0.827 -16.759 1.00 21.03 H new ATOM 0 HG22 THR A 108 2.849 -1.313 -15.576 1.00 21.03 H new ATOM 0 HG23 THR A 108 4.163 -0.216 -15.090 1.00 21.03 H new ATOM 1857 N ASP A 109 6.589 -3.962 -13.314 1.00 1.40 N ATOM 1858 CA ASP A 109 7.483 -5.142 -13.259 1.00 15.23 C ATOM 1859 C ASP A 109 7.582 -5.722 -11.838 1.00 71.03 C ATOM 1860 O ASP A 109 7.358 -5.019 -10.848 1.00 24.30 O ATOM 1861 CB ASP A 109 8.895 -4.754 -13.774 1.00 60.44 C ATOM 1862 CG ASP A 109 8.861 -4.149 -15.192 1.00 0.24 C ATOM 1863 OD1 ASP A 109 8.661 -4.903 -16.165 1.00 11.13 O ATOM 1864 OD2 ASP A 109 9.007 -2.914 -15.343 1.00 15.21 O ATOM 0 H ASP A 109 7.077 -3.079 -13.165 1.00 1.40 H new ATOM 0 HA ASP A 109 7.056 -5.914 -13.899 1.00 15.23 H new ATOM 0 HB2 ASP A 109 9.344 -4.037 -13.087 1.00 60.44 H new ATOM 0 HB3 ASP A 109 9.533 -5.638 -13.775 1.00 60.44 H new ATOM 1869 N ASP A 110 7.953 -7.014 -11.776 1.00 43.13 N ATOM 1870 CA ASP A 110 8.023 -7.818 -10.530 1.00 43.24 C ATOM 1871 C ASP A 110 9.182 -7.375 -9.634 1.00 73.41 C ATOM 1872 O ASP A 110 8.992 -7.132 -8.431 1.00 34.33 O ATOM 1873 CB ASP A 110 8.211 -9.325 -10.871 1.00 71.21 C ATOM 1874 CG ASP A 110 7.106 -9.897 -11.763 1.00 2.35 C ATOM 1875 OD1 ASP A 110 6.961 -9.443 -12.922 1.00 34.23 O ATOM 1876 OD2 ASP A 110 6.397 -10.823 -11.332 1.00 71.31 O ATOM 0 H ASP A 110 8.219 -7.545 -12.605 1.00 43.13 H new ATOM 0 HA ASP A 110 7.085 -7.663 -9.996 1.00 43.24 H new ATOM 0 HB2 ASP A 110 9.172 -9.459 -11.367 1.00 71.21 H new ATOM 0 HB3 ASP A 110 8.249 -9.896 -9.943 1.00 71.21 H new ATOM 1881 N GLU A 111 10.383 -7.276 -10.251 1.00 3.23 N ATOM 1882 CA GLU A 111 11.617 -6.893 -9.550 1.00 51.22 C ATOM 1883 C GLU A 111 11.463 -5.477 -8.988 1.00 55.12 C ATOM 1884 O GLU A 111 11.780 -5.213 -7.832 1.00 52.23 O ATOM 1885 CB GLU A 111 12.852 -6.961 -10.503 1.00 32.21 C ATOM 1886 CG GLU A 111 12.720 -6.117 -11.802 1.00 71.52 C ATOM 1887 CD GLU A 111 14.051 -5.867 -12.529 1.00 3.14 C ATOM 1888 OE1 GLU A 111 14.783 -4.934 -12.134 1.00 3.14 O ATOM 1889 OE2 GLU A 111 14.377 -6.590 -13.496 1.00 75.01 O ATOM 0 H GLU A 111 10.517 -7.460 -11.245 1.00 3.23 H new ATOM 0 HA GLU A 111 11.786 -7.596 -8.734 1.00 51.22 H new ATOM 0 HB2 GLU A 111 13.734 -6.626 -9.957 1.00 32.21 H new ATOM 0 HB3 GLU A 111 13.024 -8.002 -10.778 1.00 32.21 H new ATOM 0 HG2 GLU A 111 12.036 -6.624 -12.483 1.00 71.52 H new ATOM 0 HG3 GLU A 111 12.269 -5.156 -11.554 1.00 71.52 H new ATOM 1896 N GLU A 112 10.888 -4.604 -9.830 1.00 11.44 N ATOM 1897 CA GLU A 112 10.741 -3.183 -9.560 1.00 32.23 C ATOM 1898 C GLU A 112 9.724 -2.952 -8.435 1.00 1.14 C ATOM 1899 O GLU A 112 9.902 -2.050 -7.625 1.00 63.52 O ATOM 1900 CB GLU A 112 10.302 -2.468 -10.864 1.00 44.40 C ATOM 1901 CG GLU A 112 10.371 -0.927 -10.817 1.00 3.24 C ATOM 1902 CD GLU A 112 11.812 -0.399 -10.721 1.00 21.23 C ATOM 1903 OE1 GLU A 112 12.488 -0.318 -11.770 1.00 74.23 O ATOM 1904 OE2 GLU A 112 12.288 -0.074 -9.609 1.00 25.33 O ATOM 0 H GLU A 112 10.507 -4.882 -10.734 1.00 11.44 H new ATOM 0 HA GLU A 112 11.694 -2.770 -9.229 1.00 32.23 H new ATOM 0 HB2 GLU A 112 10.930 -2.820 -11.683 1.00 44.40 H new ATOM 0 HB3 GLU A 112 9.279 -2.764 -11.096 1.00 44.40 H new ATOM 0 HG2 GLU A 112 9.898 -0.519 -11.710 1.00 3.24 H new ATOM 0 HG3 GLU A 112 9.799 -0.568 -9.961 1.00 3.24 H new ATOM 1911 N ALA A 113 8.666 -3.800 -8.395 1.00 1.30 N ATOM 1912 CA ALA A 113 7.631 -3.760 -7.348 1.00 33.41 C ATOM 1913 C ALA A 113 8.261 -3.911 -5.957 1.00 22.45 C ATOM 1914 O ALA A 113 8.034 -3.076 -5.084 1.00 33.42 O ATOM 1915 CB ALA A 113 6.578 -4.852 -7.589 1.00 5.32 C ATOM 0 H ALA A 113 8.512 -4.529 -9.092 1.00 1.30 H new ATOM 0 HA ALA A 113 7.135 -2.790 -7.393 1.00 33.41 H new ATOM 0 HB1 ALA A 113 5.821 -4.807 -6.806 1.00 5.32 H new ATOM 0 HB2 ALA A 113 6.106 -4.695 -8.559 1.00 5.32 H new ATOM 0 HB3 ALA A 113 7.058 -5.830 -7.574 1.00 5.32 H new ATOM 1921 N LEU A 114 9.108 -4.954 -5.803 1.00 3.14 N ATOM 1922 CA LEU A 114 9.783 -5.262 -4.527 1.00 2.30 C ATOM 1923 C LEU A 114 10.702 -4.087 -4.109 1.00 34.41 C ATOM 1924 O LEU A 114 10.730 -3.693 -2.938 1.00 61.21 O ATOM 1925 CB LEU A 114 10.610 -6.584 -4.633 1.00 0.33 C ATOM 1926 CG LEU A 114 9.880 -7.851 -5.198 1.00 13.12 C ATOM 1927 CD1 LEU A 114 10.780 -9.101 -5.092 1.00 44.13 C ATOM 1928 CD2 LEU A 114 8.515 -8.094 -4.522 1.00 62.42 C ATOM 0 H LEU A 114 9.340 -5.601 -6.557 1.00 3.14 H new ATOM 0 HA LEU A 114 9.017 -5.402 -3.764 1.00 2.30 H new ATOM 0 HB2 LEU A 114 11.479 -6.388 -5.262 1.00 0.33 H new ATOM 0 HB3 LEU A 114 10.985 -6.827 -3.639 1.00 0.33 H new ATOM 0 HG LEU A 114 9.681 -7.658 -6.252 1.00 13.12 H new ATOM 0 HD11 LEU A 114 10.250 -9.966 -5.491 1.00 44.13 H new ATOM 0 HD12 LEU A 114 11.694 -8.941 -5.663 1.00 44.13 H new ATOM 0 HD13 LEU A 114 11.032 -9.280 -4.047 1.00 44.13 H new ATOM 0 HD21 LEU A 114 8.051 -8.983 -4.949 1.00 62.42 H new ATOM 0 HD22 LEU A 114 8.660 -8.239 -3.451 1.00 62.42 H new ATOM 0 HD23 LEU A 114 7.869 -7.232 -4.687 1.00 62.42 H new ATOM 1940 N LYS A 115 11.401 -3.508 -5.111 1.00 53.53 N ATOM 1941 CA LYS A 115 12.387 -2.426 -4.911 1.00 42.11 C ATOM 1942 C LYS A 115 11.731 -1.103 -4.459 1.00 10.32 C ATOM 1943 O LYS A 115 12.240 -0.459 -3.537 1.00 3.01 O ATOM 1944 CB LYS A 115 13.197 -2.196 -6.213 1.00 22.11 C ATOM 1945 CG LYS A 115 14.076 -3.389 -6.644 1.00 13.10 C ATOM 1946 CD LYS A 115 14.766 -3.146 -8.006 1.00 64.41 C ATOM 1947 CE LYS A 115 15.548 -4.368 -8.505 1.00 31.50 C ATOM 1948 NZ LYS A 115 16.222 -4.103 -9.806 1.00 72.42 N ATOM 0 H LYS A 115 11.295 -3.782 -6.088 1.00 53.53 H new ATOM 0 HA LYS A 115 13.055 -2.746 -4.111 1.00 42.11 H new ATOM 0 HB2 LYS A 115 12.503 -1.963 -7.020 1.00 22.11 H new ATOM 0 HB3 LYS A 115 13.835 -1.322 -6.079 1.00 22.11 H new ATOM 0 HG2 LYS A 115 14.834 -3.573 -5.883 1.00 13.10 H new ATOM 0 HG3 LYS A 115 13.461 -4.287 -6.705 1.00 13.10 H new ATOM 0 HD2 LYS A 115 14.013 -2.876 -8.746 1.00 64.41 H new ATOM 0 HD3 LYS A 115 15.445 -2.298 -7.918 1.00 64.41 H new ATOM 0 HE2 LYS A 115 16.293 -4.651 -7.761 1.00 31.50 H new ATOM 0 HE3 LYS A 115 14.869 -5.214 -8.614 1.00 31.50 H new ATOM 0 HZ1 LYS A 115 17.139 -4.594 -9.828 1.00 72.42 H new ATOM 0 HZ2 LYS A 115 15.625 -4.450 -10.583 1.00 72.42 H new ATOM 0 HZ3 LYS A 115 16.374 -3.080 -9.916 1.00 72.42 H new ATOM 1962 N ILE A 116 10.607 -0.703 -5.112 1.00 21.45 N ATOM 1963 CA ILE A 116 9.908 0.569 -4.796 1.00 41.52 C ATOM 1964 C ILE A 116 9.258 0.498 -3.387 1.00 4.14 C ATOM 1965 O ILE A 116 9.183 1.517 -2.690 1.00 10.34 O ATOM 1966 CB ILE A 116 8.825 0.970 -5.883 1.00 13.42 C ATOM 1967 CG1 ILE A 116 9.434 1.048 -7.329 1.00 35.33 C ATOM 1968 CG2 ILE A 116 8.151 2.323 -5.526 1.00 25.12 C ATOM 1969 CD1 ILE A 116 10.324 2.254 -7.616 1.00 40.22 C ATOM 0 H ILE A 116 10.168 -1.243 -5.858 1.00 21.45 H new ATOM 0 HA ILE A 116 10.668 1.351 -4.807 1.00 41.52 H new ATOM 0 HB ILE A 116 8.073 0.181 -5.877 1.00 13.42 H new ATOM 0 HG12 ILE A 116 10.014 0.143 -7.507 1.00 35.33 H new ATOM 0 HG13 ILE A 116 8.614 1.047 -8.047 1.00 35.33 H new ATOM 0 HG21 ILE A 116 7.413 2.574 -6.288 1.00 25.12 H new ATOM 0 HG22 ILE A 116 7.659 2.240 -4.557 1.00 25.12 H new ATOM 0 HG23 ILE A 116 8.908 3.106 -5.482 1.00 25.12 H new ATOM 0 HD11 ILE A 116 10.687 2.202 -8.642 1.00 40.22 H new ATOM 0 HD12 ILE A 116 9.750 3.170 -7.480 1.00 40.22 H new ATOM 0 HD13 ILE A 116 11.172 2.252 -6.931 1.00 40.22 H new ATOM 1981 N VAL A 117 8.812 -0.714 -2.964 1.00 5.44 N ATOM 1982 CA VAL A 117 8.334 -0.938 -1.579 1.00 53.01 C ATOM 1983 C VAL A 117 9.481 -0.659 -0.586 1.00 22.34 C ATOM 1984 O VAL A 117 9.288 0.033 0.411 1.00 54.23 O ATOM 1985 CB VAL A 117 7.789 -2.399 -1.328 1.00 23.33 C ATOM 1986 CG1 VAL A 117 7.313 -2.566 0.134 1.00 73.53 C ATOM 1987 CG2 VAL A 117 6.646 -2.763 -2.296 1.00 12.34 C ATOM 0 H VAL A 117 8.775 -1.542 -3.558 1.00 5.44 H new ATOM 0 HA VAL A 117 7.500 -0.252 -1.427 1.00 53.01 H new ATOM 0 HB VAL A 117 8.617 -3.082 -1.514 1.00 23.33 H new ATOM 0 HG11 VAL A 117 6.942 -3.580 0.282 1.00 73.53 H new ATOM 0 HG12 VAL A 117 8.147 -2.382 0.811 1.00 73.53 H new ATOM 0 HG13 VAL A 117 6.514 -1.854 0.340 1.00 73.53 H new ATOM 0 HG21 VAL A 117 6.302 -3.776 -2.088 1.00 12.34 H new ATOM 0 HG22 VAL A 117 5.820 -2.064 -2.163 1.00 12.34 H new ATOM 0 HG23 VAL A 117 7.007 -2.706 -3.323 1.00 12.34 H new ATOM 1997 N ARG A 118 10.680 -1.195 -0.899 1.00 11.34 N ATOM 1998 CA ARG A 118 11.893 -1.013 -0.072 1.00 22.12 C ATOM 1999 C ARG A 118 12.378 0.452 -0.094 1.00 1.15 C ATOM 2000 O ARG A 118 13.077 0.872 0.824 1.00 24.13 O ATOM 2001 CB ARG A 118 13.019 -1.987 -0.521 1.00 33.20 C ATOM 2002 CG ARG A 118 12.663 -3.483 -0.371 1.00 32.00 C ATOM 2003 CD ARG A 118 13.755 -4.427 -0.911 1.00 43.24 C ATOM 2004 NE ARG A 118 14.995 -4.390 -0.112 1.00 13.33 N ATOM 2005 CZ ARG A 118 16.002 -5.282 -0.198 1.00 23.45 C ATOM 2006 NH1 ARG A 118 15.945 -6.309 -1.048 1.00 72.21 N ATOM 2007 NH2 ARG A 118 17.064 -5.148 0.580 1.00 25.24 N ATOM 0 H ARG A 118 10.835 -1.765 -1.731 1.00 11.34 H new ATOM 0 HA ARG A 118 11.632 -1.252 0.959 1.00 22.12 H new ATOM 0 HB2 ARG A 118 13.262 -1.786 -1.564 1.00 33.20 H new ATOM 0 HB3 ARG A 118 13.917 -1.779 0.061 1.00 33.20 H new ATOM 0 HG2 ARG A 118 12.490 -3.704 0.682 1.00 32.00 H new ATOM 0 HG3 ARG A 118 11.729 -3.681 -0.896 1.00 32.00 H new ATOM 0 HD2 ARG A 118 13.370 -5.447 -0.928 1.00 43.24 H new ATOM 0 HD3 ARG A 118 13.985 -4.156 -1.941 1.00 43.24 H new ATOM 0 HE ARG A 118 15.098 -3.629 0.559 1.00 13.33 H new ATOM 0 HH11 ARG A 118 15.129 -6.430 -1.648 1.00 72.21 H new ATOM 0 HH12 ARG A 118 16.718 -6.973 -1.098 1.00 72.21 H new ATOM 0 HH21 ARG A 118 17.118 -4.373 1.241 1.00 25.24 H new ATOM 0 HH22 ARG A 118 17.829 -5.820 0.519 1.00 25.24 H new ATOM 2021 N GLU A 119 11.994 1.220 -1.143 1.00 62.11 N ATOM 2022 CA GLU A 119 12.240 2.676 -1.206 1.00 33.32 C ATOM 2023 C GLU A 119 11.358 3.400 -0.178 1.00 10.04 C ATOM 2024 O GLU A 119 11.846 4.236 0.588 1.00 22.41 O ATOM 2025 CB GLU A 119 11.967 3.236 -2.636 1.00 34.04 C ATOM 2026 CG GLU A 119 12.977 2.778 -3.704 1.00 2.14 C ATOM 2027 CD GLU A 119 14.405 3.284 -3.430 1.00 61.32 C ATOM 2028 OE1 GLU A 119 14.674 4.484 -3.650 1.00 5.24 O ATOM 2029 OE2 GLU A 119 15.260 2.499 -2.971 1.00 51.43 O ATOM 0 H GLU A 119 11.510 0.849 -1.960 1.00 62.11 H new ATOM 0 HA GLU A 119 13.290 2.853 -0.971 1.00 33.32 H new ATOM 0 HB2 GLU A 119 10.967 2.933 -2.946 1.00 34.04 H new ATOM 0 HB3 GLU A 119 11.971 4.325 -2.593 1.00 34.04 H new ATOM 0 HG2 GLU A 119 12.984 1.689 -3.747 1.00 2.14 H new ATOM 0 HG3 GLU A 119 12.652 3.134 -4.682 1.00 2.14 H new ATOM 2036 N PHE A 120 10.055 3.058 -0.189 1.00 12.14 N ATOM 2037 CA PHE A 120 9.058 3.584 0.762 1.00 73.42 C ATOM 2038 C PHE A 120 9.433 3.265 2.214 1.00 63.25 C ATOM 2039 O PHE A 120 9.316 4.121 3.087 1.00 61.20 O ATOM 2040 CB PHE A 120 7.656 3.006 0.439 1.00 52.34 C ATOM 2041 CG PHE A 120 7.044 3.506 -0.869 1.00 71.02 C ATOM 2042 CD1 PHE A 120 7.200 4.840 -1.272 1.00 52.42 C ATOM 2043 CD2 PHE A 120 6.286 2.666 -1.677 1.00 64.33 C ATOM 2044 CE1 PHE A 120 6.619 5.301 -2.431 1.00 64.02 C ATOM 2045 CE2 PHE A 120 5.708 3.141 -2.829 1.00 3.24 C ATOM 2046 CZ PHE A 120 5.874 4.449 -3.206 1.00 23.44 C ATOM 0 H PHE A 120 9.662 2.403 -0.865 1.00 12.14 H new ATOM 0 HA PHE A 120 9.039 4.668 0.653 1.00 73.42 H new ATOM 0 HB2 PHE A 120 7.727 1.919 0.399 1.00 52.34 H new ATOM 0 HB3 PHE A 120 6.980 3.251 1.258 1.00 52.34 H new ATOM 0 HD1 PHE A 120 7.784 5.515 -0.664 1.00 52.42 H new ATOM 0 HD2 PHE A 120 6.151 1.632 -1.397 1.00 64.33 H new ATOM 0 HE1 PHE A 120 6.749 6.331 -2.730 1.00 64.02 H new ATOM 0 HE2 PHE A 120 5.117 2.478 -3.444 1.00 3.24 H new ATOM 0 HZ PHE A 120 5.417 4.809 -4.116 1.00 23.44 H new ATOM 2056 N MET A 121 9.884 2.022 2.443 1.00 71.04 N ATOM 2057 CA MET A 121 10.283 1.533 3.769 1.00 12.10 C ATOM 2058 C MET A 121 11.634 2.127 4.216 1.00 13.12 C ATOM 2059 O MET A 121 11.891 2.220 5.413 1.00 2.44 O ATOM 2060 CB MET A 121 10.330 -0.019 3.776 1.00 65.03 C ATOM 2061 CG MET A 121 8.961 -0.702 3.567 1.00 62.44 C ATOM 2062 SD MET A 121 9.034 -2.497 3.769 1.00 13.43 S ATOM 2063 CE MET A 121 10.202 -2.970 2.497 1.00 33.13 C ATOM 0 H MET A 121 9.982 1.324 1.706 1.00 71.04 H new ATOM 0 HA MET A 121 9.534 1.865 4.487 1.00 12.10 H new ATOM 0 HB2 MET A 121 11.012 -0.353 2.994 1.00 65.03 H new ATOM 0 HB3 MET A 121 10.747 -0.353 4.726 1.00 65.03 H new ATOM 0 HG2 MET A 121 8.243 -0.290 4.276 1.00 62.44 H new ATOM 0 HG3 MET A 121 8.592 -0.468 2.568 1.00 62.44 H new ATOM 0 HE1 MET A 121 10.206 -4.055 2.392 1.00 33.13 H new ATOM 0 HE2 MET A 121 9.913 -2.514 1.550 1.00 33.13 H new ATOM 0 HE3 MET A 121 11.200 -2.629 2.774 1.00 33.13 H new ATOM 2073 N GLN A 122 12.497 2.494 3.247 1.00 35.31 N ATOM 2074 CA GLN A 122 13.783 3.187 3.521 1.00 51.41 C ATOM 2075 C GLN A 122 13.520 4.617 4.037 1.00 42.01 C ATOM 2076 O GLN A 122 14.138 5.062 5.015 1.00 32.25 O ATOM 2077 CB GLN A 122 14.663 3.220 2.236 1.00 12.34 C ATOM 2078 CG GLN A 122 16.047 3.906 2.374 1.00 74.24 C ATOM 2079 CD GLN A 122 17.066 3.175 3.275 1.00 23.12 C ATOM 2080 OE1 GLN A 122 16.720 2.489 4.237 1.00 71.43 O ATOM 2081 NE2 GLN A 122 18.345 3.323 2.960 1.00 51.44 N ATOM 0 H GLN A 122 12.328 2.322 2.256 1.00 35.31 H new ATOM 0 HA GLN A 122 14.321 2.636 4.292 1.00 51.41 H new ATOM 0 HB2 GLN A 122 14.820 2.195 1.902 1.00 12.34 H new ATOM 0 HB3 GLN A 122 14.104 3.729 1.451 1.00 12.34 H new ATOM 0 HG2 GLN A 122 16.480 4.014 1.380 1.00 74.24 H new ATOM 0 HG3 GLN A 122 15.897 4.911 2.767 1.00 74.24 H new ATOM 0 HE21 GLN A 122 18.610 3.896 2.159 1.00 51.44 H new ATOM 0 HE22 GLN A 122 19.064 2.864 3.519 1.00 51.44 H new ATOM 2090 N LYS A 123 12.572 5.304 3.376 1.00 3.25 N ATOM 2091 CA LYS A 123 12.160 6.670 3.747 1.00 54.22 C ATOM 2092 C LYS A 123 11.444 6.639 5.104 1.00 63.44 C ATOM 2093 O LYS A 123 11.780 7.405 6.007 1.00 3.22 O ATOM 2094 CB LYS A 123 11.250 7.273 2.642 1.00 24.15 C ATOM 2095 CG LYS A 123 11.947 7.407 1.271 1.00 72.00 C ATOM 2096 CD LYS A 123 11.008 7.904 0.149 1.00 74.23 C ATOM 2097 CE LYS A 123 11.732 8.021 -1.203 1.00 72.14 C ATOM 2098 NZ LYS A 123 10.833 8.478 -2.296 1.00 23.04 N ATOM 0 H LYS A 123 12.070 4.929 2.571 1.00 3.25 H new ATOM 0 HA LYS A 123 13.040 7.306 3.837 1.00 54.22 H new ATOM 0 HB2 LYS A 123 10.365 6.647 2.530 1.00 24.15 H new ATOM 0 HB3 LYS A 123 10.906 8.256 2.963 1.00 24.15 H new ATOM 0 HG2 LYS A 123 12.786 8.097 1.364 1.00 72.00 H new ATOM 0 HG3 LYS A 123 12.360 6.439 0.986 1.00 72.00 H new ATOM 0 HD2 LYS A 123 10.167 7.218 0.051 1.00 74.23 H new ATOM 0 HD3 LYS A 123 10.597 8.875 0.425 1.00 74.23 H new ATOM 0 HE2 LYS A 123 12.564 8.719 -1.106 1.00 72.14 H new ATOM 0 HE3 LYS A 123 12.157 7.053 -1.468 1.00 72.14 H new ATOM 0 HZ1 LYS A 123 11.370 8.540 -3.184 1.00 23.04 H new ATOM 0 HZ2 LYS A 123 10.053 7.800 -2.410 1.00 23.04 H new ATOM 0 HZ3 LYS A 123 10.447 9.414 -2.059 1.00 23.04 H new ATOM 2112 N ALA A 124 10.520 5.667 5.242 1.00 53.00 N ATOM 2113 CA ALA A 124 9.745 5.441 6.469 1.00 51.43 C ATOM 2114 C ALA A 124 10.662 5.018 7.620 1.00 12.13 C ATOM 2115 O ALA A 124 10.385 5.327 8.769 1.00 23.01 O ATOM 2116 CB ALA A 124 8.673 4.368 6.227 1.00 43.52 C ATOM 0 H ALA A 124 10.292 5.012 4.494 1.00 53.00 H new ATOM 0 HA ALA A 124 9.257 6.376 6.744 1.00 51.43 H new ATOM 0 HB1 ALA A 124 8.104 4.209 7.143 1.00 43.52 H new ATOM 0 HB2 ALA A 124 8.000 4.698 5.435 1.00 43.52 H new ATOM 0 HB3 ALA A 124 9.152 3.435 5.930 1.00 43.52 H new ATOM 2122 N GLY A 125 11.743 4.285 7.281 1.00 31.13 N ATOM 2123 CA GLY A 125 12.731 3.829 8.254 1.00 4.12 C ATOM 2124 C GLY A 125 13.457 4.979 8.931 1.00 71.54 C ATOM 2125 O GLY A 125 13.638 4.967 10.146 1.00 50.40 O ATOM 0 H GLY A 125 11.946 3.998 6.324 1.00 31.13 H new ATOM 0 HA2 GLY A 125 12.236 3.220 9.011 1.00 4.12 H new ATOM 0 HA3 GLY A 125 13.458 3.188 7.755 1.00 4.12 H new