USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 807 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 82 THR OG1 : rot 170:sc= 0.433 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 179:sc= 0.349 (180deg=-0.134) USER MOD Set 2.1: A 72 HIS : no HE2:sc= -7.7! C(o=-11!,f=-13!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -3.78 K(o=-11,f=-16!) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0.954 USER MOD Set 3.2: A 57 TYR OH : rot 91:sc= 1.22 USER MOD Set 4.1: A 45 SER OG : rot 55:sc= 0.6 USER MOD Set 4.2: A 83 HIS : no HE2:sc= -5.48! C(o=-4.9!,f=-8.6!) USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0.00474 USER MOD Set 5.2: A 9 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-9!) USER MOD Single : A 3 HIS : no HE2:sc= -8.29! C(o=-8.3!,f=-7.9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc=-0.000336 (180deg=-0.107) USER MOD Single : A 10 ASN : amide:sc= -5.25! C(o=-5.2!,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.052 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.55 K(o=-1.5,f=0) USER MOD Single : A 28 SER OG : rot 63:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= -6.06! C(o=-6.1!,f=-5.8!) USER MOD Single : A 31 THR OG1 : rot -174:sc= -1.61! USER MOD Single : A 32 THR OG1 : rot -137:sc= 0.415 USER MOD Single : A 42 THR OG1 : rot -150:sc= -0.246 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 1.32 (180deg=1.19) USER MOD Single : A 47 ASN : amide:sc= -1.95! C(o=-2!,f=-4.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 50 MET CE :methyl 153:sc= -0.246 (180deg=-1.58!) USER MOD Single : A 52 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 55 ASN : amide:sc= -0.533 K(o=-0.53,f=-4!) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0563) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 97:sc= 0.57 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -2.38! (180deg=-5.52!) USER MOD Single : A 86 ASN : amide:sc= -4.48! K(o=-4.5!,f=-0.57) USER MOD Single : A 88 THR OG1 : rot 100:sc= 1.04 USER MOD Single : A 89 TYR OH : rot -99:sc= -0.404! USER MOD Single : A 90 MET CE :methyl -170:sc= -2.92! (180deg=-3.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 100 SER OG : rot 69:sc= 0.289 USER MOD Single : A 104 THR OG1 : rot -6:sc= 1.01 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.45! K(o=-2.4!,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.089 -10.027 5.174 1.00 0.59 N ATOM 2 CA HIS A 3 -5.156 -9.152 5.862 1.00 0.46 C ATOM 3 C HIS A 3 -5.179 -7.783 5.198 1.00 0.43 C ATOM 4 O HIS A 3 -5.264 -7.696 3.979 1.00 0.47 O ATOM 5 CB HIS A 3 -3.730 -9.726 5.803 1.00 0.45 C ATOM 6 CG HIS A 3 -2.665 -8.701 6.058 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.513 -8.061 7.267 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.711 -8.189 5.240 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.524 -7.198 7.188 1.00 0.52 C ATOM 10 NE2 HIS A 3 -1.019 -7.252 5.969 1.00 0.51 N ATOM 0 HA HIS A 3 -5.453 -9.068 6.907 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.637 -10.526 6.538 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.566 -10.173 4.822 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -3.081 -8.230 8.097 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.530 -8.465 4.212 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.183 -6.554 7.985 1.00 0.52 H new ATOM 19 N LYS A 4 -5.085 -6.723 5.982 1.00 0.40 N ATOM 20 CA LYS A 4 -5.017 -5.386 5.417 1.00 0.39 C ATOM 21 C LYS A 4 -3.995 -4.536 6.162 1.00 0.35 C ATOM 22 O LYS A 4 -3.758 -4.729 7.357 1.00 0.43 O ATOM 23 CB LYS A 4 -6.392 -4.718 5.462 1.00 0.54 C ATOM 24 CG LYS A 4 -6.826 -4.298 6.855 1.00 0.90 C ATOM 25 CD LYS A 4 -8.036 -3.381 6.811 1.00 1.13 C ATOM 26 CE LYS A 4 -8.301 -2.759 8.172 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.434 -1.801 8.139 1.00 2.36 N ATOM 0 H LYS A 4 -5.054 -6.760 7.001 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.702 -5.471 4.377 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.380 -3.840 4.816 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.133 -5.405 5.053 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.061 -5.183 7.446 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.002 -3.790 7.356 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -7.874 -2.595 6.074 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.912 -3.944 6.489 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.514 -3.547 8.894 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.403 -2.246 8.516 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.579 -1.402 9.088 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -9.221 -1.034 7.469 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -10.298 -2.295 7.836 1.00 2.36 H new ATOM 41 N VAL A 5 -3.363 -3.622 5.448 1.00 0.31 N ATOM 42 CA VAL A 5 -2.453 -2.676 6.062 1.00 0.33 C ATOM 43 C VAL A 5 -3.013 -1.261 5.996 1.00 0.27 C ATOM 44 O VAL A 5 -3.633 -0.878 5.019 1.00 0.29 O ATOM 45 CB VAL A 5 -1.030 -2.729 5.432 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.366 -1.365 5.426 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.167 -3.718 6.192 1.00 0.49 C ATOM 0 H VAL A 5 -3.465 -3.516 4.439 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.355 -2.967 7.108 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.137 -3.052 4.396 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.625 -1.445 4.979 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.971 -0.668 4.846 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.274 -1.001 6.449 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.827 -3.751 5.747 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.088 -3.407 7.234 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.619 -4.708 6.143 1.00 0.49 H new ATOM 57 N THR A 6 -2.846 -0.536 7.083 1.00 0.41 N ATOM 58 CA THR A 6 -3.130 0.889 7.140 1.00 0.33 C ATOM 59 C THR A 6 -1.851 1.674 7.431 1.00 0.37 C ATOM 60 O THR A 6 -0.830 1.070 7.765 1.00 0.51 O ATOM 61 CB THR A 6 -4.189 1.188 8.203 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.048 0.254 9.284 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.584 1.110 7.599 1.00 0.36 C ATOM 0 H THR A 6 -2.505 -0.921 7.964 1.00 0.41 H new ATOM 0 HA THR A 6 -3.519 1.200 6.170 1.00 0.33 H new ATOM 0 HB THR A 6 -4.047 2.199 8.585 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.723 0.442 9.969 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.326 1.325 8.368 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.673 1.840 6.794 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.753 0.109 7.202 1.00 0.36 H new ATOM 71 N LYS A 7 -1.921 3.002 7.288 1.00 0.30 N ATOM 72 CA LYS A 7 -0.755 3.905 7.371 1.00 0.28 C ATOM 73 C LYS A 7 0.250 3.528 8.468 1.00 0.27 C ATOM 74 O LYS A 7 1.451 3.560 8.221 1.00 0.32 O ATOM 75 CB LYS A 7 -1.234 5.347 7.581 1.00 0.27 C ATOM 76 CG LYS A 7 -0.123 6.391 7.522 1.00 0.28 C ATOM 77 CD LYS A 7 0.763 6.201 6.297 1.00 0.42 C ATOM 78 CE LYS A 7 1.689 7.390 6.074 1.00 0.35 C ATOM 79 NZ LYS A 7 2.456 7.750 7.292 1.00 0.83 N ATOM 0 H LYS A 7 -2.798 3.492 7.109 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.223 3.806 6.425 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -1.980 5.584 6.823 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.730 5.416 8.549 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.562 7.389 7.503 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.485 6.327 8.424 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.358 5.295 6.416 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.138 6.058 5.416 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.384 7.159 5.266 1.00 0.35 H new ATOM 0 HE3 LYS A 7 1.101 8.249 5.752 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.199 8.434 7.045 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.815 8.173 7.993 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 2.892 6.895 7.693 1.00 0.83 H new ATOM 93 N ALA A 8 -0.230 3.182 9.662 1.00 0.25 N ATOM 94 CA ALA A 8 0.654 2.814 10.781 1.00 0.26 C ATOM 95 C ALA A 8 1.678 1.749 10.373 1.00 0.23 C ATOM 96 O ALA A 8 2.843 1.773 10.793 1.00 0.24 O ATOM 97 CB ALA A 8 -0.170 2.310 11.955 1.00 0.33 C ATOM 0 H ALA A 8 -1.225 3.147 9.885 1.00 0.25 H new ATOM 0 HA ALA A 8 1.201 3.710 11.074 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.494 2.041 12.777 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.854 3.093 12.283 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.742 1.434 11.649 1.00 0.33 H new ATOM 103 N HIS A 9 1.246 0.845 9.507 1.00 0.23 N ATOM 104 CA HIS A 9 2.083 -0.253 9.048 1.00 0.23 C ATOM 105 C HIS A 9 3.258 0.245 8.220 1.00 0.23 C ATOM 106 O HIS A 9 4.070 -0.559 7.757 1.00 0.25 O ATOM 107 CB HIS A 9 1.288 -1.251 8.232 1.00 0.28 C ATOM 108 CG HIS A 9 0.247 -2.004 8.995 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.058 -1.592 9.061 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.295 -3.202 9.624 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.776 -2.508 9.682 1.00 1.69 C ATOM 112 NE2 HIS A 9 -0.979 -3.496 10.040 1.00 2.12 N ATOM 0 H HIS A 9 0.309 0.851 9.104 1.00 0.23 H new ATOM 0 HA HIS A 9 2.465 -0.746 9.942 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.804 -0.722 7.411 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.979 -1.967 7.787 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.173 -3.813 9.771 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.839 -2.457 9.866 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.262 -4.338 10.542 1.00 2.12 H new ATOM 121 N ASN A 10 3.322 1.566 8.009 1.00 0.22 N ATOM 122 CA ASN A 10 4.490 2.224 7.414 1.00 0.24 C ATOM 123 C ASN A 10 5.770 1.698 8.077 1.00 0.24 C ATOM 124 O ASN A 10 6.860 1.763 7.509 1.00 0.26 O ATOM 125 CB ASN A 10 4.378 3.753 7.593 1.00 0.31 C ATOM 126 CG ASN A 10 5.600 4.534 7.119 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.952 5.560 7.701 1.00 1.41 O ATOM 128 ND2 ASN A 10 6.236 4.083 6.052 1.00 0.96 N ATOM 0 H ASN A 10 2.565 2.208 8.246 1.00 0.22 H new ATOM 0 HA ASN A 10 4.529 2.001 6.348 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.502 4.107 7.049 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.209 3.972 8.647 1.00 0.31 H new ATOM 0 HD21 ASN A 10 7.044 4.589 5.688 1.00 0.96 H new ATOM 0 HD22 ASN A 10 5.919 3.229 5.592 1.00 0.96 H new ATOM 135 N GLY A 11 5.609 1.152 9.282 1.00 0.25 N ATOM 136 CA GLY A 11 6.711 0.514 9.975 1.00 0.26 C ATOM 137 C GLY A 11 6.261 -0.750 10.684 1.00 0.25 C ATOM 138 O GLY A 11 6.403 -0.868 11.901 1.00 0.30 O ATOM 0 H GLY A 11 4.726 1.142 9.792 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.500 0.272 9.263 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.138 1.207 10.700 1.00 0.26 H new ATOM 142 N ALA A 12 5.700 -1.691 9.928 1.00 0.24 N ATOM 143 CA ALA A 12 5.129 -2.903 10.516 1.00 0.27 C ATOM 144 C ALA A 12 5.835 -4.184 10.065 1.00 0.28 C ATOM 145 O ALA A 12 6.520 -4.213 9.043 1.00 0.31 O ATOM 146 CB ALA A 12 3.663 -2.992 10.158 1.00 0.32 C ATOM 0 H ALA A 12 5.628 -1.639 8.912 1.00 0.24 H new ATOM 0 HA ALA A 12 5.266 -2.825 11.595 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.236 -3.894 10.595 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.140 -2.118 10.546 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.555 -3.028 9.074 1.00 0.32 H new ATOM 152 N THR A 13 5.640 -5.241 10.851 1.00 0.39 N ATOM 153 CA THR A 13 6.144 -6.577 10.546 1.00 0.44 C ATOM 154 C THR A 13 5.217 -7.620 11.180 1.00 0.56 C ATOM 155 O THR A 13 5.107 -7.688 12.405 1.00 0.95 O ATOM 156 CB THR A 13 7.575 -6.773 11.087 1.00 0.71 C ATOM 157 OG1 THR A 13 8.397 -5.657 10.721 1.00 0.89 O ATOM 158 CG2 THR A 13 8.193 -8.055 10.545 1.00 0.74 C ATOM 0 H THR A 13 5.121 -5.192 11.728 1.00 0.39 H new ATOM 0 HA THR A 13 6.169 -6.697 9.463 1.00 0.44 H new ATOM 0 HB THR A 13 7.517 -6.845 12.173 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.303 -5.790 11.070 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.202 -8.169 10.942 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.586 -8.908 10.848 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.235 -8.007 9.457 1.00 0.74 H new ATOM 166 N LEU A 14 4.537 -8.416 10.356 1.00 0.39 N ATOM 167 CA LEU A 14 3.538 -9.359 10.857 1.00 0.70 C ATOM 168 C LEU A 14 3.288 -10.495 9.864 1.00 0.35 C ATOM 169 O LEU A 14 3.697 -10.430 8.707 1.00 0.88 O ATOM 170 CB LEU A 14 2.208 -8.647 11.156 1.00 1.51 C ATOM 171 CG LEU A 14 1.422 -8.153 9.936 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.008 -7.771 10.339 1.00 2.43 C ATOM 173 CD2 LEU A 14 2.123 -6.970 9.288 1.00 3.00 C ATOM 0 H LEU A 14 4.659 -8.427 9.343 1.00 0.39 H new ATOM 0 HA LEU A 14 3.937 -9.781 11.779 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.573 -9.329 11.721 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.413 -7.793 11.802 1.00 1.51 H new ATOM 0 HG LEU A 14 1.373 -8.963 9.209 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.538 -7.422 9.463 1.00 2.43 H new ATOM 0 HD12 LEU A 14 -0.498 -8.640 10.760 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.044 -6.976 11.084 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.549 -6.635 8.424 1.00 3.00 H new ATOM 0 HD22 LEU A 14 2.203 -6.156 10.008 1.00 3.00 H new ATOM 0 HD23 LEU A 14 3.120 -7.270 8.966 1.00 3.00 H new ATOM 185 N THR A 15 2.613 -11.538 10.332 1.00 0.70 N ATOM 186 CA THR A 15 2.243 -12.662 9.483 1.00 0.74 C ATOM 187 C THR A 15 0.763 -12.598 9.127 1.00 0.82 C ATOM 188 O THR A 15 -0.068 -12.234 9.960 1.00 1.21 O ATOM 189 CB THR A 15 2.535 -14.012 10.161 1.00 1.40 C ATOM 190 OG1 THR A 15 3.945 -14.153 10.373 1.00 1.55 O ATOM 191 CG2 THR A 15 2.013 -15.160 9.305 1.00 1.73 C ATOM 0 H THR A 15 2.309 -11.628 11.302 1.00 0.70 H new ATOM 0 HA THR A 15 2.847 -12.589 8.579 1.00 0.74 H new ATOM 0 HB THR A 15 2.026 -14.041 11.124 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.126 -15.013 10.806 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.227 -16.108 9.798 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.936 -15.055 9.173 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.502 -15.139 8.331 1.00 1.73 H new ATOM 199 N VAL A 16 0.437 -12.954 7.890 1.00 0.57 N ATOM 200 CA VAL A 16 -0.927 -12.842 7.406 1.00 0.64 C ATOM 201 C VAL A 16 -1.417 -14.164 6.829 1.00 0.59 C ATOM 202 O VAL A 16 -0.623 -14.980 6.359 1.00 0.59 O ATOM 203 CB VAL A 16 -1.027 -11.738 6.332 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.152 -10.562 6.731 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.649 -12.239 4.951 1.00 0.63 C ATOM 0 H VAL A 16 1.100 -13.322 7.207 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.560 -12.579 8.254 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.068 -11.420 6.276 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.222 -9.782 5.973 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.488 -10.167 7.690 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.883 -10.892 6.817 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.736 -11.424 4.232 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.378 -12.603 4.965 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.317 -13.050 4.663 1.00 0.63 H new ATOM 215 N ALA A 17 -2.719 -14.377 6.888 1.00 0.63 N ATOM 216 CA ALA A 17 -3.335 -15.517 6.245 1.00 0.60 C ATOM 217 C ALA A 17 -4.042 -15.047 4.986 1.00 0.55 C ATOM 218 O ALA A 17 -4.950 -14.217 5.049 1.00 0.76 O ATOM 219 CB ALA A 17 -4.308 -16.188 7.198 1.00 0.75 C ATOM 0 H ALA A 17 -3.373 -13.768 7.380 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.575 -16.249 5.973 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.767 -17.045 6.705 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.774 -16.523 8.087 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.083 -15.478 7.487 1.00 0.75 H new ATOM 225 N VAL A 18 -3.611 -15.549 3.842 1.00 0.54 N ATOM 226 CA VAL A 18 -4.156 -15.093 2.571 1.00 0.50 C ATOM 227 C VAL A 18 -5.196 -16.062 2.028 1.00 0.49 C ATOM 228 O VAL A 18 -5.621 -16.993 2.713 1.00 0.59 O ATOM 229 CB VAL A 18 -3.055 -14.901 1.510 1.00 0.58 C ATOM 230 CG1 VAL A 18 -2.019 -13.903 1.983 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.404 -16.224 1.148 1.00 1.12 C ATOM 0 H VAL A 18 -2.891 -16.267 3.764 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.628 -14.131 2.772 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.525 -14.504 0.610 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.252 -13.784 1.217 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.498 -12.942 2.169 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.560 -14.264 2.903 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.632 -16.056 0.397 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.955 -16.664 2.038 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.157 -16.903 0.748 1.00 1.12 H new ATOM 241 N GLY A 19 -5.602 -15.832 0.788 1.00 0.52 N ATOM 242 CA GLY A 19 -6.582 -16.685 0.157 1.00 0.55 C ATOM 243 C GLY A 19 -7.716 -15.878 -0.421 1.00 0.59 C ATOM 244 O GLY A 19 -8.132 -16.096 -1.559 1.00 0.71 O ATOM 0 H GLY A 19 -5.266 -15.064 0.206 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.107 -17.267 -0.633 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.972 -17.396 0.886 1.00 0.55 H new ATOM 248 N GLU A 20 -8.210 -14.939 0.365 1.00 0.57 N ATOM 249 CA GLU A 20 -9.259 -14.045 -0.088 1.00 0.64 C ATOM 250 C GLU A 20 -8.639 -12.816 -0.736 1.00 0.50 C ATOM 251 O GLU A 20 -8.716 -12.629 -1.952 1.00 0.50 O ATOM 252 CB GLU A 20 -10.131 -13.607 1.086 1.00 0.76 C ATOM 253 CG GLU A 20 -10.475 -14.727 2.051 1.00 0.96 C ATOM 254 CD GLU A 20 -11.121 -14.202 3.311 1.00 1.55 C ATOM 255 OE1 GLU A 20 -10.429 -13.510 4.086 1.00 2.35 O ATOM 256 OE2 GLU A 20 -12.319 -14.470 3.532 1.00 1.75 O ATOM 0 H GLU A 20 -7.900 -14.776 1.323 1.00 0.57 H new ATOM 0 HA GLU A 20 -9.878 -14.574 -0.813 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.617 -12.816 1.632 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.055 -13.178 0.699 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.148 -15.433 1.564 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -9.569 -15.276 2.308 1.00 0.96 H new ATOM 263 N LEU A 21 -8.015 -11.987 0.089 1.00 0.45 N ATOM 264 CA LEU A 21 -7.433 -10.739 -0.373 1.00 0.32 C ATOM 265 C LEU A 21 -6.508 -10.146 0.672 1.00 0.38 C ATOM 266 O LEU A 21 -6.905 -9.943 1.810 1.00 0.64 O ATOM 267 CB LEU A 21 -8.548 -9.743 -0.694 1.00 0.39 C ATOM 268 CG LEU A 21 -8.091 -8.336 -1.080 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.224 -8.375 -2.329 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.299 -7.434 -1.280 1.00 0.71 C ATOM 0 H LEU A 21 -7.900 -12.160 1.088 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.848 -10.945 -1.270 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.147 -10.147 -1.510 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.203 -9.667 0.174 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.486 -7.928 -0.270 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.910 -7.363 -2.586 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.345 -8.992 -2.142 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.795 -8.798 -3.155 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.965 -6.434 -1.555 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.927 -7.838 -2.074 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.873 -7.383 -0.354 1.00 0.71 H new ATOM 282 N VAL A 22 -5.281 -9.858 0.293 1.00 0.27 N ATOM 283 CA VAL A 22 -4.375 -9.185 1.198 1.00 0.28 C ATOM 284 C VAL A 22 -4.162 -7.741 0.748 1.00 0.30 C ATOM 285 O VAL A 22 -3.618 -7.468 -0.323 1.00 0.37 O ATOM 286 CB VAL A 22 -3.044 -9.962 1.378 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.859 -9.027 1.591 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.182 -10.896 2.565 1.00 0.38 C ATOM 0 H VAL A 22 -4.892 -10.076 -0.624 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.831 -9.160 2.188 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.850 -10.526 0.466 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.949 -9.615 1.712 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.754 -8.370 0.728 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.025 -8.427 2.486 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.253 -11.449 2.703 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.395 -10.315 3.462 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.997 -11.596 2.384 1.00 0.38 H new ATOM 298 N GLU A 23 -4.624 -6.815 1.572 1.00 0.29 N ATOM 299 CA GLU A 23 -4.631 -5.414 1.210 1.00 0.36 C ATOM 300 C GLU A 23 -3.514 -4.646 1.884 1.00 0.27 C ATOM 301 O GLU A 23 -3.047 -4.995 2.969 1.00 0.37 O ATOM 302 CB GLU A 23 -5.938 -4.737 1.606 1.00 0.58 C ATOM 303 CG GLU A 23 -7.177 -5.288 0.933 1.00 0.96 C ATOM 304 CD GLU A 23 -8.411 -4.470 1.266 1.00 0.99 C ATOM 305 OE1 GLU A 23 -8.343 -3.218 1.166 1.00 1.06 O ATOM 306 OE2 GLU A 23 -9.452 -5.060 1.606 1.00 1.09 O ATOM 0 H GLU A 23 -5.000 -7.013 2.499 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.501 -5.395 0.128 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.061 -4.823 2.686 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -5.862 -3.674 1.378 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -7.029 -5.300 -0.147 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -7.331 -6.321 1.245 1.00 0.96 H new ATOM 313 N ILE A 24 -3.128 -3.580 1.219 1.00 0.25 N ATOM 314 CA ILE A 24 -2.220 -2.589 1.755 1.00 0.24 C ATOM 315 C ILE A 24 -2.815 -1.225 1.469 1.00 0.29 C ATOM 316 O ILE A 24 -2.749 -0.740 0.350 1.00 0.54 O ATOM 317 CB ILE A 24 -0.828 -2.675 1.095 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.210 -4.057 1.314 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.078 -1.588 1.644 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.005 -4.396 2.772 1.00 0.27 C ATOM 0 H ILE A 24 -3.443 -3.373 0.271 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.092 -2.762 2.824 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.942 -2.524 0.022 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.853 -4.811 0.860 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.749 -4.104 0.799 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.058 -1.658 1.171 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.357 -0.611 1.434 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.185 -1.713 2.721 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.436 -5.389 2.856 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.662 -3.663 3.226 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.965 -4.381 3.288 1.00 0.27 H new ATOM 332 N GLN A 25 -3.406 -0.606 2.461 1.00 0.21 N ATOM 333 CA GLN A 25 -4.137 0.614 2.231 1.00 0.22 C ATOM 334 C GLN A 25 -3.480 1.803 2.917 1.00 0.20 C ATOM 335 O GLN A 25 -3.105 1.756 4.087 1.00 0.23 O ATOM 336 CB GLN A 25 -5.589 0.446 2.674 1.00 0.27 C ATOM 337 CG GLN A 25 -6.391 1.721 2.599 1.00 0.29 C ATOM 338 CD GLN A 25 -6.721 2.297 3.966 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.752 1.971 4.549 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.851 3.144 4.490 1.00 0.30 N ATOM 0 H GLN A 25 -3.395 -0.925 3.430 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.123 0.823 1.161 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.066 -0.311 2.051 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.608 0.074 3.698 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.834 2.461 2.024 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.318 1.529 2.058 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -5.006 3.391 3.975 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -6.025 3.551 5.409 1.00 0.30 H new ATOM 349 N LEU A 26 -3.350 2.868 2.159 1.00 0.19 N ATOM 350 CA LEU A 26 -2.806 4.113 2.647 1.00 0.18 C ATOM 351 C LEU A 26 -3.924 5.136 2.740 1.00 0.22 C ATOM 352 O LEU A 26 -4.935 5.016 2.062 1.00 0.31 O ATOM 353 CB LEU A 26 -1.705 4.636 1.720 1.00 0.22 C ATOM 354 CG LEU A 26 -0.321 4.000 1.886 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.155 4.066 3.333 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.323 2.571 1.381 1.00 0.85 C ATOM 0 H LEU A 26 -3.622 2.894 1.176 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.367 3.943 3.630 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -2.027 4.490 0.689 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.609 5.711 1.875 1.00 0.22 H new ATOM 0 HG LEU A 26 0.382 4.575 1.284 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.140 3.606 3.413 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.214 5.107 3.649 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.548 3.532 3.972 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.669 2.139 1.508 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -1.049 1.986 1.946 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.591 2.559 0.325 1.00 0.85 H new ATOM 368 N PRO A 27 -3.781 6.128 3.609 1.00 0.21 N ATOM 369 CA PRO A 27 -4.726 7.237 3.704 1.00 0.25 C ATOM 370 C PRO A 27 -4.343 8.374 2.769 1.00 0.26 C ATOM 371 O PRO A 27 -4.900 9.467 2.841 1.00 0.35 O ATOM 372 CB PRO A 27 -4.566 7.667 5.152 1.00 0.27 C ATOM 373 CG PRO A 27 -3.123 7.425 5.442 1.00 0.25 C ATOM 374 CD PRO A 27 -2.710 6.240 4.607 1.00 0.22 C ATOM 0 HA PRO A 27 -5.744 6.962 3.427 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -4.830 8.716 5.289 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.209 7.087 5.814 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.525 8.302 5.193 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -2.969 7.225 6.502 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.740 6.400 4.137 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.627 5.335 5.209 1.00 0.22 H new ATOM 382 N SER A 28 -3.367 8.095 1.906 1.00 0.22 N ATOM 383 CA SER A 28 -2.792 9.088 1.005 1.00 0.25 C ATOM 384 C SER A 28 -1.981 10.113 1.789 1.00 0.25 C ATOM 385 O SER A 28 -0.775 10.244 1.589 1.00 0.31 O ATOM 386 CB SER A 28 -3.886 9.772 0.170 1.00 0.35 C ATOM 387 OG SER A 28 -3.334 10.592 -0.844 1.00 0.91 O ATOM 0 H SER A 28 -2.952 7.168 1.813 1.00 0.22 H new ATOM 0 HA SER A 28 -2.120 8.576 0.316 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.526 9.014 -0.283 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.518 10.375 0.822 1.00 0.35 H new ATOM 0 HG SER A 28 -2.829 10.037 -1.475 1.00 0.91 H new ATOM 393 N ASN A 29 -2.632 10.760 2.735 1.00 0.29 N ATOM 394 CA ASN A 29 -2.051 11.881 3.464 1.00 0.36 C ATOM 395 C ASN A 29 -1.580 12.914 2.443 1.00 0.42 C ATOM 396 O ASN A 29 -0.389 13.212 2.351 1.00 0.48 O ATOM 397 CB ASN A 29 -0.857 11.462 4.341 1.00 0.42 C ATOM 398 CG ASN A 29 -0.936 10.060 4.913 1.00 0.60 C ATOM 399 OD1 ASN A 29 -1.509 9.840 5.977 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.320 9.106 4.227 1.00 0.39 N ATOM 0 H ASN A 29 -3.582 10.526 3.024 1.00 0.29 H new ATOM 0 HA ASN A 29 -2.813 12.286 4.130 1.00 0.36 H new ATOM 0 HB2 ASN A 29 0.055 11.545 3.749 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.767 12.169 5.166 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.311 8.149 4.580 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.145 9.330 3.347 1.00 0.39 H new ATOM 407 N PRO A 30 -2.528 13.472 1.673 1.00 0.55 N ATOM 408 CA PRO A 30 -2.236 14.236 0.450 1.00 0.66 C ATOM 409 C PRO A 30 -1.257 15.378 0.676 1.00 0.72 C ATOM 410 O PRO A 30 -1.554 16.346 1.381 1.00 0.82 O ATOM 411 CB PRO A 30 -3.612 14.762 0.027 1.00 0.83 C ATOM 412 CG PRO A 30 -4.561 13.788 0.623 1.00 0.82 C ATOM 413 CD PRO A 30 -3.968 13.436 1.949 1.00 0.75 C ATOM 0 HA PRO A 30 -1.750 13.619 -0.306 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.787 15.771 0.401 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.709 14.802 -1.058 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.554 14.223 0.737 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.670 12.906 -0.008 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.251 14.150 2.722 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.291 12.452 2.290 1.00 0.75 H new ATOM 421 N THR A 31 -0.078 15.242 0.088 1.00 0.73 N ATOM 422 CA THR A 31 0.957 16.251 0.206 1.00 0.84 C ATOM 423 C THR A 31 0.862 17.240 -0.958 1.00 1.10 C ATOM 424 O THR A 31 0.946 18.454 -0.767 1.00 1.83 O ATOM 425 CB THR A 31 2.363 15.596 0.241 1.00 0.96 C ATOM 426 OG1 THR A 31 2.782 15.215 -1.078 1.00 1.60 O ATOM 427 CG2 THR A 31 2.352 14.350 1.122 1.00 0.81 C ATOM 0 H THR A 31 0.184 14.436 -0.479 1.00 0.73 H new ATOM 0 HA THR A 31 0.808 16.790 1.142 1.00 0.84 H new ATOM 0 HB THR A 31 3.057 16.332 0.647 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.626 14.721 -1.023 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.347 13.904 1.134 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.065 14.625 2.137 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.637 13.630 0.725 1.00 0.81 H new ATOM 435 N THR A 32 0.660 16.698 -2.159 1.00 1.19 N ATOM 436 CA THR A 32 0.569 17.478 -3.389 1.00 1.43 C ATOM 437 C THR A 32 0.440 16.507 -4.577 1.00 1.47 C ATOM 438 O THR A 32 -0.306 15.533 -4.486 1.00 2.05 O ATOM 439 CB THR A 32 1.793 18.434 -3.546 1.00 1.62 C ATOM 440 OG1 THR A 32 1.750 19.137 -4.796 1.00 2.36 O ATOM 441 CG2 THR A 32 3.114 17.686 -3.426 1.00 1.32 C ATOM 0 H THR A 32 0.554 15.694 -2.305 1.00 1.19 H new ATOM 0 HA THR A 32 -0.313 18.117 -3.355 1.00 1.43 H new ATOM 0 HB THR A 32 1.730 19.156 -2.732 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.645 19.149 -5.195 1.00 2.36 H new ATOM 0 HG21 THR A 32 3.941 18.387 -3.541 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.175 17.210 -2.447 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.173 16.925 -4.204 1.00 1.32 H new ATOM 449 N GLY A 33 1.156 16.760 -5.674 1.00 1.30 N ATOM 450 CA GLY A 33 1.114 15.880 -6.839 1.00 1.26 C ATOM 451 C GLY A 33 1.572 14.461 -6.545 1.00 1.01 C ATOM 452 O GLY A 33 1.341 13.548 -7.335 1.00 1.27 O ATOM 0 H GLY A 33 1.771 17.567 -5.778 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.095 15.851 -7.226 1.00 1.26 H new ATOM 0 HA3 GLY A 33 1.742 16.300 -7.625 1.00 1.26 H new ATOM 456 N PHE A 34 2.259 14.296 -5.430 1.00 0.86 N ATOM 457 CA PHE A 34 2.715 12.997 -4.967 1.00 0.88 C ATOM 458 C PHE A 34 1.529 12.135 -4.530 1.00 0.79 C ATOM 459 O PHE A 34 0.567 12.641 -3.954 1.00 1.11 O ATOM 460 CB PHE A 34 3.682 13.180 -3.790 1.00 1.25 C ATOM 461 CG PHE A 34 4.939 13.945 -4.110 1.00 1.50 C ATOM 462 CD1 PHE A 34 4.885 15.252 -4.557 1.00 1.95 C ATOM 463 CD2 PHE A 34 6.179 13.352 -3.952 1.00 1.69 C ATOM 464 CE1 PHE A 34 6.028 15.952 -4.845 1.00 2.22 C ATOM 465 CE2 PHE A 34 7.332 14.050 -4.239 1.00 1.94 C ATOM 466 CZ PHE A 34 7.256 15.351 -4.686 1.00 2.08 C ATOM 0 H PHE A 34 2.519 15.066 -4.814 1.00 0.86 H new ATOM 0 HA PHE A 34 3.228 12.494 -5.787 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.157 13.694 -2.985 1.00 1.25 H new ATOM 0 HB3 PHE A 34 3.960 12.196 -3.412 1.00 1.25 H new ATOM 0 HD1 PHE A 34 3.925 15.730 -4.682 1.00 1.95 H new ATOM 0 HD2 PHE A 34 6.244 12.333 -3.601 1.00 1.69 H new ATOM 0 HE1 PHE A 34 5.965 16.972 -5.195 1.00 2.22 H new ATOM 0 HE2 PHE A 34 8.295 13.577 -4.114 1.00 1.94 H new ATOM 0 HZ PHE A 34 8.159 15.899 -4.911 1.00 2.08 H new ATOM 476 N ALA A 35 1.609 10.841 -4.811 1.00 0.44 N ATOM 477 CA ALA A 35 0.602 9.876 -4.379 1.00 0.37 C ATOM 478 C ALA A 35 1.268 8.521 -4.150 1.00 0.30 C ATOM 479 O ALA A 35 2.363 8.275 -4.671 1.00 0.30 O ATOM 480 CB ALA A 35 -0.503 9.764 -5.420 1.00 0.44 C ATOM 0 H ALA A 35 2.374 10.429 -5.345 1.00 0.44 H new ATOM 0 HA ALA A 35 0.152 10.214 -3.445 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -1.247 9.041 -5.085 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.977 10.737 -5.554 1.00 0.44 H new ATOM 0 HB3 ALA A 35 -0.078 9.434 -6.368 1.00 0.44 H new ATOM 486 N TRP A 36 0.634 7.648 -3.366 1.00 0.26 N ATOM 487 CA TRP A 36 1.257 6.375 -3.013 1.00 0.21 C ATOM 488 C TRP A 36 1.260 5.407 -4.195 1.00 0.27 C ATOM 489 O TRP A 36 0.213 5.047 -4.730 1.00 0.43 O ATOM 490 CB TRP A 36 0.583 5.695 -1.805 1.00 0.20 C ATOM 491 CG TRP A 36 0.712 6.421 -0.501 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.200 7.254 0.092 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.818 6.337 0.397 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.277 7.678 1.305 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.515 7.134 1.513 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.036 5.665 0.360 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.383 7.269 2.587 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.900 5.803 1.422 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.572 6.598 2.527 1.00 0.14 C ATOM 0 H TRP A 36 -0.294 7.796 -2.970 1.00 0.26 H new ATOM 0 HA TRP A 36 2.283 6.617 -2.737 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.477 5.568 -2.027 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.007 4.697 -1.689 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.152 7.535 -0.333 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.212 8.299 1.949 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.298 5.047 -0.486 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.128 7.882 3.439 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.849 5.288 1.403 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.271 6.682 3.346 1.00 0.14 H new ATOM 510 N TYR A 37 2.458 5.014 -4.606 1.00 0.27 N ATOM 511 CA TYR A 37 2.646 3.948 -5.580 1.00 0.34 C ATOM 512 C TYR A 37 3.631 2.942 -5.021 1.00 0.39 C ATOM 513 O TYR A 37 4.049 3.082 -3.893 1.00 0.78 O ATOM 514 CB TYR A 37 3.178 4.496 -6.901 1.00 0.53 C ATOM 515 CG TYR A 37 2.121 5.121 -7.768 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.266 4.344 -8.538 1.00 1.42 C ATOM 517 CD2 TYR A 37 1.976 6.498 -7.805 1.00 0.90 C ATOM 518 CE1 TYR A 37 0.294 4.927 -9.328 1.00 2.10 C ATOM 519 CE2 TYR A 37 1.005 7.090 -8.587 1.00 1.47 C ATOM 520 CZ TYR A 37 0.174 6.253 -9.390 1.00 2.04 C ATOM 521 OH TYR A 37 -0.807 6.887 -10.123 1.00 2.78 O ATOM 0 H TYR A 37 3.329 5.427 -4.272 1.00 0.27 H new ATOM 0 HA TYR A 37 1.683 3.475 -5.771 1.00 0.34 H new ATOM 0 HB2 TYR A 37 3.949 5.238 -6.692 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.656 3.687 -7.453 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.362 3.268 -8.519 1.00 1.42 H new ATOM 0 HD2 TYR A 37 2.633 7.118 -7.213 1.00 0.90 H new ATOM 0 HE1 TYR A 37 -0.375 4.302 -9.901 1.00 2.10 H new ATOM 0 HE2 TYR A 37 0.877 8.162 -8.591 1.00 1.47 H new ATOM 0 HH TYR A 37 -0.711 7.858 -10.027 1.00 2.78 H new ATOM 531 N PHE A 38 3.986 1.919 -5.779 1.00 0.26 N ATOM 532 CA PHE A 38 5.105 1.070 -5.392 1.00 0.25 C ATOM 533 C PHE A 38 6.421 1.762 -5.724 1.00 0.32 C ATOM 534 O PHE A 38 7.079 2.316 -4.845 1.00 0.38 O ATOM 535 CB PHE A 38 5.048 -0.275 -6.098 1.00 0.27 C ATOM 536 CG PHE A 38 4.564 -1.408 -5.236 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.413 -2.007 -4.320 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.261 -1.874 -5.340 1.00 0.33 C ATOM 539 CE1 PHE A 38 4.974 -3.047 -3.523 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.818 -2.913 -4.544 1.00 0.41 C ATOM 541 CZ PHE A 38 3.676 -3.501 -3.636 1.00 0.43 C ATOM 0 H PHE A 38 3.527 1.657 -6.651 1.00 0.26 H new ATOM 0 HA PHE A 38 5.039 0.898 -4.318 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.394 -0.189 -6.965 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.043 -0.518 -6.472 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.431 -1.657 -4.228 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.586 -1.420 -6.050 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.646 -3.504 -2.812 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.801 -3.265 -4.632 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.332 -4.315 -3.015 1.00 0.43 H new ATOM 551 N GLU A 39 6.794 1.737 -7.000 1.00 0.40 N ATOM 552 CA GLU A 39 7.997 2.423 -7.457 1.00 0.51 C ATOM 553 C GLU A 39 7.632 3.681 -8.234 1.00 0.51 C ATOM 554 O GLU A 39 8.507 4.406 -8.706 1.00 0.61 O ATOM 555 CB GLU A 39 8.854 1.512 -8.337 1.00 0.61 C ATOM 556 CG GLU A 39 9.341 0.255 -7.639 1.00 1.11 C ATOM 557 CD GLU A 39 10.405 -0.462 -8.443 1.00 1.75 C ATOM 558 OE1 GLU A 39 10.067 -1.032 -9.504 1.00 2.39 O ATOM 559 OE2 GLU A 39 11.578 -0.468 -8.015 1.00 2.19 O ATOM 0 H GLU A 39 6.281 1.250 -7.735 1.00 0.40 H new ATOM 0 HA GLU A 39 8.574 2.698 -6.574 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.276 1.226 -9.216 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.717 2.075 -8.692 1.00 0.61 H new ATOM 0 HG2 GLU A 39 9.741 0.516 -6.659 1.00 1.11 H new ATOM 0 HG3 GLU A 39 8.499 -0.416 -7.471 1.00 1.11 H new ATOM 566 N GLY A 40 6.337 3.930 -8.372 1.00 0.51 N ATOM 567 CA GLY A 40 5.880 5.108 -9.088 1.00 0.55 C ATOM 568 C GLY A 40 5.272 4.764 -10.428 1.00 0.56 C ATOM 569 O GLY A 40 5.987 4.472 -11.384 1.00 0.73 O ATOM 0 H GLY A 40 5.593 3.338 -8.002 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.144 5.636 -8.482 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.718 5.789 -9.236 1.00 0.55 H new ATOM 573 N GLY A 41 3.945 4.787 -10.492 1.00 0.55 N ATOM 574 CA GLY A 41 3.251 4.387 -11.703 1.00 0.70 C ATOM 575 C GLY A 41 3.257 2.882 -11.880 1.00 0.61 C ATOM 576 O GLY A 41 2.752 2.355 -12.868 1.00 0.70 O ATOM 0 H GLY A 41 3.337 5.076 -9.726 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.222 4.745 -11.668 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.723 4.857 -12.566 1.00 0.70 H new ATOM 580 N THR A 42 3.826 2.199 -10.899 1.00 0.53 N ATOM 581 CA THR A 42 3.988 0.762 -10.935 1.00 0.51 C ATOM 582 C THR A 42 3.542 0.116 -9.647 1.00 0.43 C ATOM 583 O THR A 42 3.678 0.703 -8.568 1.00 0.44 O ATOM 584 CB THR A 42 5.444 0.353 -11.153 1.00 0.67 C ATOM 585 OG1 THR A 42 6.322 1.355 -10.614 1.00 1.13 O ATOM 586 CG2 THR A 42 5.735 0.124 -12.623 1.00 0.92 C ATOM 0 H THR A 42 4.190 2.634 -10.051 1.00 0.53 H new ATOM 0 HA THR A 42 3.371 0.425 -11.768 1.00 0.51 H new ATOM 0 HB THR A 42 5.617 -0.588 -10.631 1.00 0.67 H new ATOM 0 HG1 THR A 42 7.156 1.370 -11.128 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.779 -0.166 -12.747 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.091 -0.669 -13.002 1.00 0.92 H new ATOM 0 HG23 THR A 42 5.545 1.042 -13.179 1.00 0.92 H new ATOM 594 N LYS A 43 2.969 -1.061 -9.774 1.00 0.49 N ATOM 595 CA LYS A 43 2.735 -1.914 -8.635 1.00 0.46 C ATOM 596 C LYS A 43 3.007 -3.372 -8.992 1.00 0.55 C ATOM 597 O LYS A 43 2.583 -3.858 -10.042 1.00 0.75 O ATOM 598 CB LYS A 43 1.322 -1.717 -8.082 1.00 0.58 C ATOM 599 CG LYS A 43 0.219 -1.614 -9.130 1.00 1.15 C ATOM 600 CD LYS A 43 -0.203 -2.977 -9.662 1.00 1.41 C ATOM 601 CE LYS A 43 -1.206 -2.851 -10.795 1.00 1.96 C ATOM 602 NZ LYS A 43 -1.603 -4.177 -11.337 1.00 2.52 N ATOM 0 H LYS A 43 2.655 -1.449 -10.663 1.00 0.49 H new ATOM 0 HA LYS A 43 3.431 -1.633 -7.844 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.091 -2.549 -7.416 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.310 -0.811 -7.476 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.646 -1.113 -8.696 1.00 1.15 H new ATOM 0 HG3 LYS A 43 0.564 -0.995 -9.958 1.00 1.15 H new ATOM 0 HD2 LYS A 43 0.675 -3.519 -10.012 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -0.639 -3.564 -8.854 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -2.092 -2.325 -10.438 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -0.777 -2.247 -11.594 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -2.558 -4.114 -11.744 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -0.930 -4.466 -12.075 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.599 -4.880 -10.571 1.00 2.52 H new ATOM 616 N GLU A 44 3.758 -4.047 -8.140 1.00 0.48 N ATOM 617 CA GLU A 44 4.083 -5.450 -8.348 1.00 0.60 C ATOM 618 C GLU A 44 3.949 -6.236 -7.046 1.00 0.49 C ATOM 619 O GLU A 44 4.084 -5.680 -5.953 1.00 0.54 O ATOM 620 CB GLU A 44 5.502 -5.588 -8.909 1.00 0.83 C ATOM 621 CG GLU A 44 6.579 -4.974 -8.026 1.00 0.92 C ATOM 622 CD GLU A 44 7.967 -5.112 -8.619 1.00 1.48 C ATOM 623 OE1 GLU A 44 8.363 -4.250 -9.423 1.00 2.30 O ATOM 624 OE2 GLU A 44 8.672 -6.088 -8.277 1.00 1.80 O ATOM 0 H GLU A 44 4.157 -3.645 -7.292 1.00 0.48 H new ATOM 0 HA GLU A 44 3.378 -5.862 -9.070 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.724 -6.646 -9.053 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.541 -5.118 -9.892 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.358 -3.918 -7.870 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.557 -5.452 -7.047 1.00 0.92 H new ATOM 631 N SER A 45 3.661 -7.519 -7.168 1.00 0.61 N ATOM 632 CA SER A 45 3.559 -8.396 -6.016 1.00 0.55 C ATOM 633 C SER A 45 4.592 -9.512 -6.147 1.00 0.80 C ATOM 634 O SER A 45 4.753 -10.090 -7.216 1.00 1.15 O ATOM 635 CB SER A 45 2.143 -8.976 -5.918 1.00 0.83 C ATOM 636 OG SER A 45 1.945 -9.666 -4.689 1.00 1.61 O ATOM 0 H SER A 45 3.492 -7.980 -8.062 1.00 0.61 H new ATOM 0 HA SER A 45 3.756 -7.832 -5.105 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.413 -8.172 -6.007 1.00 0.83 H new ATOM 0 HB3 SER A 45 1.969 -9.657 -6.751 1.00 0.83 H new ATOM 0 HG SER A 45 2.154 -9.069 -3.941 1.00 1.61 H new ATOM 642 N PRO A 46 5.315 -9.825 -5.064 1.00 0.85 N ATOM 643 CA PRO A 46 6.395 -10.824 -5.088 1.00 1.17 C ATOM 644 C PRO A 46 5.883 -12.256 -5.242 1.00 1.12 C ATOM 645 O PRO A 46 6.667 -13.188 -5.424 1.00 1.88 O ATOM 646 CB PRO A 46 7.079 -10.657 -3.722 1.00 1.50 C ATOM 647 CG PRO A 46 6.522 -9.399 -3.137 1.00 1.39 C ATOM 648 CD PRO A 46 5.159 -9.225 -3.737 1.00 0.92 C ATOM 0 HA PRO A 46 7.056 -10.666 -5.940 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.876 -11.511 -3.076 1.00 1.50 H new ATOM 0 HB3 PRO A 46 8.161 -10.591 -3.832 1.00 1.50 H new ATOM 0 HG2 PRO A 46 6.463 -9.468 -2.051 1.00 1.39 H new ATOM 0 HG3 PRO A 46 7.161 -8.546 -3.368 1.00 1.39 H new ATOM 0 HD2 PRO A 46 4.391 -9.730 -3.151 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.874 -8.175 -3.798 1.00 0.92 H new ATOM 656 N ASN A 47 4.568 -12.425 -5.165 1.00 1.01 N ATOM 657 CA ASN A 47 3.963 -13.754 -5.216 1.00 1.08 C ATOM 658 C ASN A 47 2.903 -13.833 -6.312 1.00 0.97 C ATOM 659 O ASN A 47 1.980 -14.644 -6.231 1.00 1.25 O ATOM 660 CB ASN A 47 3.317 -14.107 -3.864 1.00 1.23 C ATOM 661 CG ASN A 47 4.320 -14.391 -2.756 1.00 1.53 C ATOM 662 OD1 ASN A 47 5.432 -13.870 -2.747 1.00 2.43 O ATOM 663 ND2 ASN A 47 3.920 -15.216 -1.800 1.00 1.23 N ATOM 0 H ASN A 47 3.900 -11.661 -5.067 1.00 1.01 H new ATOM 0 HA ASN A 47 4.757 -14.467 -5.438 1.00 1.08 H new ATOM 0 HB2 ASN A 47 2.672 -13.284 -3.555 1.00 1.23 H new ATOM 0 HB3 ASN A 47 2.678 -14.980 -3.995 1.00 1.23 H new ATOM 0 HD21 ASN A 47 4.543 -15.437 -1.023 1.00 1.23 H new ATOM 0 HD22 ASN A 47 2.989 -15.630 -1.841 1.00 1.23 H new ATOM 670 N GLU A 48 3.031 -13.007 -7.342 1.00 0.86 N ATOM 671 CA GLU A 48 2.003 -12.943 -8.367 1.00 0.93 C ATOM 672 C GLU A 48 2.337 -13.843 -9.561 1.00 0.93 C ATOM 673 O GLU A 48 2.788 -13.397 -10.616 1.00 1.53 O ATOM 674 CB GLU A 48 1.733 -11.488 -8.791 1.00 1.24 C ATOM 675 CG GLU A 48 2.886 -10.772 -9.474 1.00 1.89 C ATOM 676 CD GLU A 48 2.479 -9.400 -9.967 1.00 2.65 C ATOM 677 OE1 GLU A 48 1.432 -9.293 -10.640 1.00 2.99 O ATOM 678 OE2 GLU A 48 3.200 -8.421 -9.687 1.00 3.26 O ATOM 0 H GLU A 48 3.824 -12.382 -7.488 1.00 0.86 H new ATOM 0 HA GLU A 48 1.079 -13.329 -7.937 1.00 0.93 H new ATOM 0 HB2 GLU A 48 0.875 -11.479 -9.464 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.450 -10.918 -7.906 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.719 -10.676 -8.777 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.240 -11.370 -10.314 1.00 1.89 H new ATOM 685 N SER A 49 2.117 -15.133 -9.364 1.00 0.94 N ATOM 686 CA SER A 49 2.279 -16.121 -10.418 1.00 1.13 C ATOM 687 C SER A 49 0.934 -16.400 -11.092 1.00 1.05 C ATOM 688 O SER A 49 0.774 -16.245 -12.305 1.00 1.48 O ATOM 689 CB SER A 49 2.844 -17.403 -9.808 1.00 1.39 C ATOM 690 OG SER A 49 2.125 -17.750 -8.629 1.00 2.06 O ATOM 0 H SER A 49 1.821 -15.524 -8.470 1.00 0.94 H new ATOM 0 HA SER A 49 2.966 -15.743 -11.175 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.782 -18.216 -10.532 1.00 1.39 H new ATOM 0 HB3 SER A 49 3.899 -17.266 -9.571 1.00 1.39 H new ATOM 0 HG SER A 49 2.496 -18.574 -8.250 1.00 2.06 H new ATOM 696 N MET A 50 -0.021 -16.803 -10.274 1.00 0.77 N ATOM 697 CA MET A 50 -1.381 -17.097 -10.716 1.00 0.69 C ATOM 698 C MET A 50 -2.314 -16.008 -10.221 1.00 0.60 C ATOM 699 O MET A 50 -3.310 -15.660 -10.853 1.00 0.66 O ATOM 700 CB MET A 50 -1.822 -18.452 -10.173 1.00 0.68 C ATOM 701 CG MET A 50 -1.577 -18.606 -8.678 1.00 0.66 C ATOM 702 SD MET A 50 -2.049 -20.217 -8.033 1.00 1.25 S ATOM 703 CE MET A 50 -1.534 -20.033 -6.328 1.00 1.10 C ATOM 0 H MET A 50 0.122 -16.938 -9.273 1.00 0.77 H new ATOM 0 HA MET A 50 -1.411 -17.131 -11.805 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.884 -18.590 -10.377 1.00 0.68 H new ATOM 0 HB3 MET A 50 -1.290 -19.240 -10.705 1.00 0.68 H new ATOM 0 HG2 MET A 50 -0.520 -18.437 -8.472 1.00 0.66 H new ATOM 0 HG3 MET A 50 -2.133 -17.834 -8.146 1.00 0.66 H new ATOM 0 HE1 MET A 50 -2.141 -20.678 -5.693 1.00 1.10 H new ATOM 0 HE2 MET A 50 -0.485 -20.314 -6.232 1.00 1.10 H new ATOM 0 HE3 MET A 50 -1.662 -18.995 -6.019 1.00 1.10 H new ATOM 713 N PHE A 51 -1.945 -15.474 -9.074 1.00 0.52 N ATOM 714 CA PHE A 51 -2.653 -14.389 -8.437 1.00 0.44 C ATOM 715 C PHE A 51 -1.856 -13.113 -8.659 1.00 0.51 C ATOM 716 O PHE A 51 -0.727 -13.187 -9.127 1.00 0.74 O ATOM 717 CB PHE A 51 -2.834 -14.711 -6.956 1.00 0.37 C ATOM 718 CG PHE A 51 -4.050 -15.549 -6.672 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.126 -16.861 -7.110 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.120 -15.021 -5.967 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.246 -17.628 -6.852 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.241 -15.783 -5.706 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.305 -17.089 -6.149 1.00 0.61 C ATOM 0 H PHE A 51 -1.128 -15.790 -8.551 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.647 -14.252 -8.862 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.949 -15.234 -6.595 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.905 -13.779 -6.395 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.301 -17.289 -7.659 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -5.076 -14.000 -5.617 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.293 -18.649 -7.200 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -7.067 -15.358 -5.156 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.181 -17.687 -5.946 1.00 0.61 H new ATOM 733 N THR A 52 -2.424 -11.951 -8.376 1.00 0.47 N ATOM 734 CA THR A 52 -1.792 -10.704 -8.795 1.00 0.61 C ATOM 735 C THR A 52 -2.266 -9.503 -7.971 1.00 0.49 C ATOM 736 O THR A 52 -3.225 -9.593 -7.200 1.00 0.75 O ATOM 737 CB THR A 52 -2.038 -10.453 -10.299 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.248 -9.346 -10.765 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.512 -10.179 -10.573 1.00 1.46 C ATOM 0 H THR A 52 -3.302 -11.842 -7.869 1.00 0.47 H new ATOM 0 HA THR A 52 -0.722 -10.813 -8.619 1.00 0.61 H new ATOM 0 HB THR A 52 -1.742 -11.354 -10.837 1.00 1.10 H new ATOM 0 HG1 THR A 52 -0.312 -9.624 -10.847 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.658 -10.006 -11.639 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.106 -11.038 -10.260 1.00 1.46 H new ATOM 0 HG23 THR A 52 -3.828 -9.297 -10.016 1.00 1.46 H new ATOM 747 N VAL A 53 -1.565 -8.385 -8.140 1.00 0.46 N ATOM 748 CA VAL A 53 -1.833 -7.161 -7.398 1.00 0.44 C ATOM 749 C VAL A 53 -2.622 -6.162 -8.253 1.00 0.49 C ATOM 750 O VAL A 53 -2.334 -5.963 -9.433 1.00 0.76 O ATOM 751 CB VAL A 53 -0.509 -6.500 -6.936 1.00 0.67 C ATOM 752 CG1 VAL A 53 0.461 -6.360 -8.102 1.00 1.00 C ATOM 753 CG2 VAL A 53 -0.763 -5.140 -6.296 1.00 1.31 C ATOM 0 H VAL A 53 -0.791 -8.305 -8.800 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.427 -7.430 -6.525 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.061 -7.151 -6.185 1.00 0.67 H new ATOM 0 HG11 VAL A 53 1.383 -5.894 -7.754 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.684 -7.346 -8.510 1.00 1.00 H new ATOM 0 HG13 VAL A 53 0.011 -5.740 -8.877 1.00 1.00 H new ATOM 0 HG21 VAL A 53 0.185 -4.703 -5.983 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -1.245 -4.482 -7.019 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -1.411 -5.262 -5.428 1.00 1.31 H new ATOM 763 N GLU A 54 -3.615 -5.546 -7.635 1.00 0.45 N ATOM 764 CA GLU A 54 -4.472 -4.563 -8.277 1.00 0.52 C ATOM 765 C GLU A 54 -4.517 -3.294 -7.433 1.00 0.46 C ATOM 766 O GLU A 54 -4.521 -3.354 -6.205 1.00 0.59 O ATOM 767 CB GLU A 54 -5.876 -5.143 -8.447 1.00 0.71 C ATOM 768 CG GLU A 54 -6.416 -5.781 -7.176 1.00 1.35 C ATOM 769 CD GLU A 54 -7.731 -6.495 -7.386 1.00 1.86 C ATOM 770 OE1 GLU A 54 -7.759 -7.486 -8.139 1.00 2.18 O ATOM 771 OE2 GLU A 54 -8.743 -6.079 -6.790 1.00 2.45 O ATOM 0 H GLU A 54 -3.853 -5.717 -6.658 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.073 -4.314 -9.261 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.554 -4.351 -8.765 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -5.861 -5.888 -9.242 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -5.682 -6.489 -6.791 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -6.545 -5.011 -6.416 1.00 1.35 H new ATOM 778 N ASN A 55 -4.534 -2.145 -8.079 1.00 0.49 N ATOM 779 CA ASN A 55 -4.521 -0.887 -7.343 1.00 0.46 C ATOM 780 C ASN A 55 -5.865 -0.182 -7.410 1.00 0.46 C ATOM 781 O ASN A 55 -6.535 -0.177 -8.444 1.00 0.65 O ATOM 782 CB ASN A 55 -3.419 0.052 -7.851 1.00 0.62 C ATOM 783 CG ASN A 55 -3.587 0.443 -9.311 1.00 1.21 C ATOM 784 OD1 ASN A 55 -3.078 -0.228 -10.204 1.00 1.84 O ATOM 785 ND2 ASN A 55 -4.288 1.540 -9.565 1.00 1.93 N ATOM 0 H ASN A 55 -4.556 -2.051 -9.094 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.314 -1.139 -6.303 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.410 0.954 -7.239 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.451 -0.432 -7.721 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -4.418 1.850 -10.528 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -4.697 2.073 -8.797 1.00 1.93 H new ATOM 792 N LYS A 56 -6.252 0.398 -6.284 1.00 0.42 N ATOM 793 CA LYS A 56 -7.411 1.268 -6.218 1.00 0.43 C ATOM 794 C LYS A 56 -7.213 2.290 -5.108 1.00 0.46 C ATOM 795 O LYS A 56 -7.317 1.984 -3.919 1.00 0.53 O ATOM 796 CB LYS A 56 -8.722 0.473 -6.055 1.00 0.55 C ATOM 797 CG LYS A 56 -8.639 -0.784 -5.186 1.00 1.03 C ATOM 798 CD LYS A 56 -8.827 -0.505 -3.699 1.00 0.62 C ATOM 799 CE LYS A 56 -10.133 0.213 -3.396 1.00 1.26 C ATOM 800 NZ LYS A 56 -11.314 -0.452 -4.007 1.00 1.42 N ATOM 0 H LYS A 56 -5.771 0.278 -5.393 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.505 1.800 -7.165 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.475 1.136 -5.630 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -9.074 0.184 -7.045 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -9.398 -1.494 -5.514 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -7.670 -1.260 -5.339 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.799 -1.447 -3.151 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.994 0.098 -3.339 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -10.271 0.266 -2.316 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -10.071 1.238 -3.760 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -12.185 -0.002 -3.659 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -11.267 -0.361 -5.042 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -11.318 -1.459 -3.748 1.00 1.42 H new ATOM 814 N TYR A 57 -6.903 3.508 -5.505 1.00 0.48 N ATOM 815 CA TYR A 57 -6.537 4.545 -4.561 1.00 0.56 C ATOM 816 C TYR A 57 -7.422 5.763 -4.728 1.00 0.57 C ATOM 817 O TYR A 57 -7.921 6.033 -5.822 1.00 0.71 O ATOM 818 CB TYR A 57 -5.056 4.922 -4.702 1.00 0.69 C ATOM 819 CG TYR A 57 -4.519 4.975 -6.113 1.00 0.54 C ATOM 820 CD1 TYR A 57 -4.962 5.928 -7.021 1.00 0.91 C ATOM 821 CD2 TYR A 57 -3.542 4.078 -6.525 1.00 0.61 C ATOM 822 CE1 TYR A 57 -4.450 5.986 -8.302 1.00 1.19 C ATOM 823 CE2 TYR A 57 -3.026 4.128 -7.807 1.00 0.98 C ATOM 824 CZ TYR A 57 -3.484 5.083 -8.692 1.00 1.19 C ATOM 825 OH TYR A 57 -2.970 5.137 -9.970 1.00 1.66 O ATOM 0 H TYR A 57 -6.897 3.805 -6.481 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.688 4.151 -3.556 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -4.904 5.897 -4.239 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.463 4.204 -4.135 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -5.720 6.636 -6.720 1.00 0.91 H new ATOM 0 HD2 TYR A 57 -3.180 3.331 -5.834 1.00 0.61 H new ATOM 0 HE1 TYR A 57 -4.804 6.735 -8.995 1.00 1.19 H new ATOM 0 HE2 TYR A 57 -2.268 3.423 -8.114 1.00 0.98 H new ATOM 0 HH TYR A 57 -2.184 5.723 -9.982 1.00 1.66 H new ATOM 835 N PHE A 58 -7.639 6.489 -3.641 1.00 0.52 N ATOM 836 CA PHE A 58 -8.518 7.635 -3.688 1.00 0.60 C ATOM 837 C PHE A 58 -7.842 8.903 -3.167 1.00 0.73 C ATOM 838 O PHE A 58 -7.646 9.076 -1.955 1.00 0.80 O ATOM 839 CB PHE A 58 -9.786 7.340 -2.889 1.00 0.67 C ATOM 840 CG PHE A 58 -11.033 7.749 -3.610 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.431 7.069 -4.746 1.00 1.56 C ATOM 842 CD2 PHE A 58 -11.806 8.805 -3.155 1.00 1.19 C ATOM 843 CE1 PHE A 58 -12.578 7.432 -5.422 1.00 2.14 C ATOM 844 CE2 PHE A 58 -12.955 9.176 -3.829 1.00 1.65 C ATOM 845 CZ PHE A 58 -13.341 8.487 -4.962 1.00 2.08 C ATOM 0 H PHE A 58 -7.222 6.304 -2.729 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.775 7.817 -4.732 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.832 6.273 -2.669 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -9.737 7.861 -1.933 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -10.837 6.243 -5.109 1.00 1.56 H new ATOM 0 HD2 PHE A 58 -11.509 9.343 -2.267 1.00 1.19 H new ATOM 0 HE1 PHE A 58 -12.878 6.893 -6.308 1.00 2.14 H new ATOM 0 HE2 PHE A 58 -13.550 10.003 -3.470 1.00 1.65 H new ATOM 0 HZ PHE A 58 -14.240 8.773 -5.488 1.00 2.08 H new ATOM 855 N PRO A 59 -7.433 9.775 -4.101 1.00 0.90 N ATOM 856 CA PRO A 59 -7.054 11.159 -3.829 1.00 1.17 C ATOM 857 C PRO A 59 -8.280 12.074 -3.922 1.00 1.32 C ATOM 858 O PRO A 59 -8.925 12.166 -4.970 1.00 1.92 O ATOM 859 CB PRO A 59 -6.048 11.476 -4.954 1.00 1.46 C ATOM 860 CG PRO A 59 -5.965 10.233 -5.789 1.00 1.30 C ATOM 861 CD PRO A 59 -7.222 9.466 -5.511 1.00 1.01 C ATOM 0 HA PRO A 59 -6.638 11.307 -2.832 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -6.382 12.326 -5.549 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -5.073 11.738 -4.544 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -5.884 10.479 -6.848 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.084 9.646 -5.529 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -8.053 9.797 -6.134 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -7.099 8.397 -5.685 1.00 1.01 H new ATOM 869 N PRO A 60 -8.605 12.769 -2.822 1.00 1.14 N ATOM 870 CA PRO A 60 -9.855 13.516 -2.671 1.00 1.27 C ATOM 871 C PRO A 60 -9.828 14.878 -3.360 1.00 1.97 C ATOM 872 O PRO A 60 -10.298 15.017 -4.486 1.00 2.64 O ATOM 873 CB PRO A 60 -10.000 13.657 -1.153 1.00 1.41 C ATOM 874 CG PRO A 60 -8.794 13.001 -0.552 1.00 1.85 C ATOM 875 CD PRO A 60 -7.771 12.901 -1.636 1.00 1.56 C ATOM 0 HA PRO A 60 -10.694 13.004 -3.143 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -10.056 14.706 -0.864 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -10.916 13.181 -0.804 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -8.413 13.585 0.286 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -9.044 12.013 -0.164 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -7.135 13.785 -1.680 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -7.114 12.042 -1.500 1.00 1.56 H new ATOM 883 N ASP A 61 -9.270 15.881 -2.696 1.00 2.53 N ATOM 884 CA ASP A 61 -9.167 17.211 -3.281 1.00 3.55 C ATOM 885 C ASP A 61 -7.828 17.336 -3.961 1.00 4.33 C ATOM 886 O ASP A 61 -7.653 18.092 -4.914 1.00 4.81 O ATOM 887 CB ASP A 61 -9.242 18.299 -2.210 1.00 4.18 C ATOM 888 CG ASP A 61 -9.905 17.838 -0.934 1.00 5.17 C ATOM 889 OD1 ASP A 61 -9.225 17.162 -0.140 1.00 5.80 O ATOM 890 OD2 ASP A 61 -11.091 18.159 -0.715 1.00 5.51 O ATOM 0 H ASP A 61 -8.883 15.800 -1.756 1.00 2.53 H new ATOM 0 HA ASP A 61 -9.993 17.338 -3.981 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -8.234 18.645 -1.983 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -9.790 19.153 -2.608 1.00 4.18 H new ATOM 895 N SER A 62 -6.880 16.585 -3.411 1.00 4.84 N ATOM 896 CA SER A 62 -5.489 16.608 -3.830 1.00 5.85 C ATOM 897 C SER A 62 -4.844 17.957 -3.527 1.00 6.45 C ATOM 898 O SER A 62 -3.738 18.248 -3.979 1.00 6.95 O ATOM 899 CB SER A 62 -5.363 16.244 -5.311 1.00 6.81 C ATOM 900 OG SER A 62 -5.907 14.955 -5.555 1.00 7.43 O ATOM 0 H SER A 62 -7.063 15.933 -2.648 1.00 4.84 H new ATOM 0 HA SER A 62 -4.949 15.855 -3.256 1.00 5.85 H new ATOM 0 HB2 SER A 62 -5.882 16.985 -5.919 1.00 6.81 H new ATOM 0 HB3 SER A 62 -4.315 16.265 -5.609 1.00 6.81 H new ATOM 0 HG SER A 62 -5.820 14.738 -6.507 1.00 7.43 H new ATOM 906 N LYS A 63 -5.542 18.769 -2.742 1.00 6.69 N ATOM 907 CA LYS A 63 -5.011 20.044 -2.291 1.00 7.56 C ATOM 908 C LYS A 63 -5.063 20.140 -0.767 1.00 7.34 C ATOM 909 O LYS A 63 -4.476 21.041 -0.172 1.00 8.03 O ATOM 910 CB LYS A 63 -5.764 21.215 -2.948 1.00 8.44 C ATOM 911 CG LYS A 63 -7.286 21.186 -2.784 1.00 8.39 C ATOM 912 CD LYS A 63 -7.725 21.603 -1.385 1.00 7.90 C ATOM 913 CE LYS A 63 -9.232 21.788 -1.301 1.00 8.47 C ATOM 914 NZ LYS A 63 -9.641 22.429 -0.022 1.00 8.71 N ATOM 0 H LYS A 63 -6.482 18.563 -2.404 1.00 6.69 H new ATOM 0 HA LYS A 63 -3.967 20.108 -2.597 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -5.387 22.148 -2.530 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -5.530 21.225 -4.012 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -7.741 21.851 -3.518 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -7.653 20.181 -2.993 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -7.410 20.848 -0.665 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -7.228 22.533 -1.110 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -9.570 22.399 -2.138 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -9.723 20.819 -1.395 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -10.675 22.538 -0.003 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -9.341 21.834 0.776 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -9.193 23.364 0.056 1.00 8.71 H new ATOM 928 N LEU A 64 -5.776 19.210 -0.138 1.00 6.59 N ATOM 929 CA LEU A 64 -5.899 19.215 1.313 1.00 6.64 C ATOM 930 C LEU A 64 -6.103 17.809 1.863 1.00 5.83 C ATOM 931 O LEU A 64 -5.139 17.107 2.159 1.00 6.33 O ATOM 932 CB LEU A 64 -7.055 20.108 1.765 1.00 6.54 C ATOM 933 CG LEU A 64 -7.215 20.235 3.282 1.00 7.43 C ATOM 934 CD1 LEU A 64 -5.988 20.886 3.893 1.00 7.88 C ATOM 935 CD2 LEU A 64 -8.466 21.024 3.628 1.00 8.10 C ATOM 0 H LEU A 64 -6.272 18.451 -0.606 1.00 6.59 H new ATOM 0 HA LEU A 64 -4.964 19.612 1.708 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -6.912 21.103 1.345 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -7.983 19.716 1.348 1.00 6.54 H new ATOM 0 HG LEU A 64 -7.319 19.233 3.699 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -6.119 20.968 4.972 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -5.109 20.278 3.680 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -5.853 21.880 3.467 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -8.559 21.102 4.711 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -8.397 22.023 3.197 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -9.341 20.514 3.224 1.00 8.10 H new ATOM 947 N LEU A 65 -7.361 17.392 1.958 1.00 4.74 N ATOM 948 CA LEU A 65 -7.700 16.140 2.611 1.00 4.07 C ATOM 949 C LEU A 65 -9.186 15.846 2.524 1.00 3.22 C ATOM 950 O LEU A 65 -10.006 16.530 3.129 1.00 3.56 O ATOM 951 CB LEU A 65 -7.274 16.157 4.080 1.00 4.05 C ATOM 952 CG LEU A 65 -6.240 15.102 4.468 1.00 4.01 C ATOM 953 CD1 LEU A 65 -5.892 15.219 5.942 1.00 4.35 C ATOM 954 CD2 LEU A 65 -6.752 13.708 4.159 1.00 4.56 C ATOM 0 H LEU A 65 -8.161 17.906 1.589 1.00 4.74 H new ATOM 0 HA LEU A 65 -7.159 15.353 2.086 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -6.870 17.142 4.313 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -8.160 16.020 4.700 1.00 4.05 H new ATOM 0 HG LEU A 65 -5.339 15.276 3.880 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -5.154 14.460 6.203 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -5.481 16.209 6.141 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -6.791 15.072 6.541 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -5.999 12.973 4.443 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -7.669 13.525 4.720 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -6.956 13.624 3.092 1.00 4.56 H new ATOM 966 N GLY A 66 -9.511 14.821 1.761 1.00 2.53 N ATOM 967 CA GLY A 66 -10.866 14.317 1.704 1.00 2.28 C ATOM 968 C GLY A 66 -11.132 13.399 2.870 1.00 2.48 C ATOM 969 O GLY A 66 -11.258 12.186 2.684 1.00 3.02 O ATOM 0 H GLY A 66 -8.849 14.319 1.169 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -11.571 15.148 1.718 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -11.023 13.782 0.768 1.00 2.28 H new ATOM 973 N ALA A 67 -11.138 13.981 4.068 1.00 2.66 N ATOM 974 CA ALA A 67 -11.283 13.236 5.324 1.00 3.24 C ATOM 975 C ALA A 67 -9.991 12.496 5.652 1.00 3.13 C ATOM 976 O ALA A 67 -9.304 12.804 6.627 1.00 3.73 O ATOM 977 CB ALA A 67 -12.455 12.260 5.266 1.00 4.02 C ATOM 0 H ALA A 67 -11.042 14.988 4.199 1.00 2.66 H new ATOM 0 HA ALA A 67 -11.491 13.956 6.116 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -12.531 11.726 6.213 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -13.378 12.810 5.084 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -12.294 11.545 4.459 1.00 4.02 H new ATOM 983 N GLY A 68 -9.667 11.524 4.816 1.00 2.74 N ATOM 984 CA GLY A 68 -8.434 10.785 4.962 1.00 2.84 C ATOM 985 C GLY A 68 -7.999 10.183 3.650 1.00 2.21 C ATOM 986 O GLY A 68 -7.428 9.097 3.628 1.00 2.79 O ATOM 0 H GLY A 68 -10.245 11.231 4.029 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -7.653 11.446 5.338 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -8.566 9.995 5.701 1.00 2.84 H new ATOM 990 N GLY A 69 -8.274 10.903 2.551 1.00 1.49 N ATOM 991 CA GLY A 69 -7.985 10.390 1.217 1.00 1.05 C ATOM 992 C GLY A 69 -8.478 8.973 1.065 1.00 0.84 C ATOM 993 O GLY A 69 -9.682 8.736 1.162 1.00 1.12 O ATOM 0 H GLY A 69 -8.692 11.833 2.566 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.458 11.026 0.469 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -6.911 10.427 1.034 1.00 1.05 H new ATOM 997 N THR A 70 -7.553 8.082 0.707 1.00 0.52 N ATOM 998 CA THR A 70 -7.567 6.662 1.061 1.00 0.46 C ATOM 999 C THR A 70 -7.173 5.847 -0.167 1.00 0.39 C ATOM 1000 O THR A 70 -8.005 5.445 -0.977 1.00 0.44 O ATOM 1001 CB THR A 70 -8.898 6.136 1.682 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.296 6.936 2.803 1.00 0.97 O ATOM 1003 CG2 THR A 70 -8.722 4.727 2.196 1.00 0.59 C ATOM 0 H THR A 70 -6.744 8.339 0.142 1.00 0.52 H new ATOM 0 HA THR A 70 -6.841 6.539 1.865 1.00 0.46 H new ATOM 0 HB THR A 70 -9.650 6.177 0.894 1.00 0.58 H new ATOM 0 HG1 THR A 70 -9.951 7.604 2.512 1.00 0.97 H new ATOM 0 HG21 THR A 70 -9.660 4.377 2.626 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.433 4.073 1.373 1.00 0.59 H new ATOM 0 HG23 THR A 70 -7.945 4.713 2.961 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.873 5.626 -0.290 1.00 0.34 N ATOM 1012 CA GLU A 71 -5.284 4.980 -1.449 1.00 0.34 C ATOM 1013 C GLU A 71 -4.921 3.541 -1.119 1.00 0.31 C ATOM 1014 O GLU A 71 -4.067 3.299 -0.279 1.00 0.31 O ATOM 1015 CB GLU A 71 -4.018 5.734 -1.867 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.263 7.185 -2.237 1.00 0.47 C ATOM 1017 CD GLU A 71 -3.038 7.836 -2.850 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.884 7.759 -4.082 1.00 0.81 O ATOM 1019 OE2 GLU A 71 -2.232 8.423 -2.098 1.00 0.53 O ATOM 0 H GLU A 71 -5.192 5.894 0.420 1.00 0.34 H new ATOM 0 HA GLU A 71 -6.008 4.990 -2.264 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.296 5.694 -1.051 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.566 5.223 -2.717 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -5.093 7.243 -2.941 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.560 7.740 -1.347 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.557 2.580 -1.768 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.323 1.188 -1.412 1.00 0.32 C ATOM 1028 C HIS A 72 -4.526 0.461 -2.478 1.00 0.29 C ATOM 1029 O HIS A 72 -4.691 0.689 -3.677 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.613 0.398 -1.219 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.683 1.023 -0.387 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.548 0.263 0.359 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -8.094 2.310 -0.238 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.440 1.037 0.919 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -9.199 2.282 0.575 1.00 0.53 N ATOM 0 H HIS A 72 -6.223 2.730 -2.526 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.772 1.235 -0.473 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -7.031 0.189 -2.204 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -6.356 -0.562 -0.772 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.502 -0.751 0.461 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.638 3.186 -0.675 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.244 0.707 1.560 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.694 -0.441 -2.015 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.994 -1.379 -2.861 1.00 0.25 C ATOM 1046 C PHE A 73 -3.436 -2.787 -2.511 1.00 0.25 C ATOM 1047 O PHE A 73 -3.179 -3.279 -1.420 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.490 -1.210 -2.686 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.938 -0.119 -3.553 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.263 1.203 -3.311 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.076 -0.415 -4.600 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.744 2.213 -4.097 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.446 0.591 -5.387 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.059 1.897 -5.181 1.00 1.13 C ATOM 0 H PHE A 73 -3.481 -0.546 -1.023 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.231 -1.190 -3.908 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.270 -0.988 -1.642 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.990 -2.149 -2.924 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.930 1.449 -2.498 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.189 -1.443 -4.801 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.963 3.245 -3.868 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.158 0.355 -6.164 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.380 2.671 -5.862 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.130 -3.420 -3.431 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.722 -4.721 -3.177 1.00 0.30 C ATOM 1066 C HIS A 74 -3.926 -5.815 -3.857 1.00 0.31 C ATOM 1067 O HIS A 74 -3.880 -5.879 -5.074 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.155 -4.763 -3.714 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.185 -4.113 -2.847 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.517 -4.441 -2.925 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.090 -3.168 -1.874 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.194 -3.738 -2.047 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.359 -2.957 -1.390 1.00 0.45 N ATOM 0 H HIS A 74 -4.301 -3.055 -4.368 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.719 -4.883 -2.099 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.172 -4.282 -4.692 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.438 -5.805 -3.866 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.187 -2.676 -1.544 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.261 -3.791 -1.889 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.612 -2.306 -0.647 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.302 -6.687 -3.093 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.686 -7.842 -3.700 1.00 0.26 C ATOM 1084 C VAL A 75 -3.560 -9.058 -3.422 1.00 0.25 C ATOM 1085 O VAL A 75 -3.835 -9.423 -2.276 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.210 -8.083 -3.258 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.395 -6.802 -3.341 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.122 -8.682 -1.873 1.00 0.87 C ATOM 0 H VAL A 75 -3.210 -6.621 -2.079 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.620 -7.658 -4.772 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.786 -8.806 -3.954 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.629 -7.002 -3.027 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.395 -6.437 -4.368 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -0.835 -6.048 -2.688 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.076 -8.832 -1.607 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.585 -8.006 -1.154 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.642 -9.640 -1.857 1.00 0.87 H new ATOM 1098 N THR A 76 -4.045 -9.650 -4.477 1.00 0.28 N ATOM 1099 CA THR A 76 -4.888 -10.807 -4.359 1.00 0.32 C ATOM 1100 C THR A 76 -4.047 -12.014 -4.680 1.00 0.34 C ATOM 1101 O THR A 76 -3.720 -12.250 -5.835 1.00 0.39 O ATOM 1102 CB THR A 76 -6.075 -10.734 -5.341 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.643 -9.416 -5.324 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.144 -11.756 -4.978 1.00 0.45 C ATOM 0 H THR A 76 -3.869 -9.348 -5.435 1.00 0.28 H new ATOM 0 HA THR A 76 -5.295 -10.862 -3.349 1.00 0.32 H new ATOM 0 HB THR A 76 -5.705 -10.959 -6.341 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.395 -9.376 -5.951 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.970 -11.685 -5.685 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.718 -12.758 -5.018 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.510 -11.557 -3.971 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.660 -12.740 -3.647 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.743 -13.850 -3.802 1.00 0.41 C ATOM 1114 C VAL A 77 -2.900 -14.852 -2.673 1.00 0.45 C ATOM 1115 O VAL A 77 -3.158 -14.480 -1.530 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.274 -13.354 -3.847 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.953 -12.489 -2.636 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.303 -14.524 -3.937 1.00 1.04 C ATOM 0 H VAL A 77 -3.969 -12.578 -2.688 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.985 -14.339 -4.746 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.158 -12.745 -4.744 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.083 -12.154 -2.692 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.614 -11.622 -2.622 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -1.098 -13.070 -1.725 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.719 -14.147 -3.967 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.427 -15.168 -3.066 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.505 -15.096 -4.842 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.788 -16.123 -3.016 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.607 -17.158 -2.030 1.00 0.41 C ATOM 1130 C LYS A 78 -1.388 -17.990 -2.401 1.00 0.40 C ATOM 1131 O LYS A 78 -1.432 -18.822 -3.301 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.873 -18.015 -1.872 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.690 -18.227 -3.145 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.167 -19.355 -4.033 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.239 -20.725 -3.358 1.00 1.29 C ATOM 1136 NZ LYS A 78 -3.194 -20.915 -2.313 1.00 1.54 N ATOM 0 H LYS A 78 -2.820 -16.458 -3.979 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.432 -16.702 -1.055 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.583 -18.990 -1.481 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.514 -17.549 -1.124 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -5.723 -18.442 -2.871 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.699 -17.300 -3.718 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.744 -19.380 -4.957 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.133 -19.145 -4.308 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -5.223 -20.850 -2.907 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -4.134 -21.503 -4.115 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -2.809 -21.879 -2.378 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -2.429 -20.226 -2.458 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -3.614 -20.773 -1.372 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.289 -17.726 -1.718 1.00 0.39 N ATOM 1151 CA ALA A 79 0.966 -18.408 -1.987 1.00 0.40 C ATOM 1152 C ALA A 79 1.936 -18.172 -0.848 1.00 0.43 C ATOM 1153 O ALA A 79 2.034 -17.054 -0.349 1.00 0.67 O ATOM 1154 CB ALA A 79 1.568 -17.942 -3.308 1.00 0.46 C ATOM 0 H ALA A 79 -0.240 -17.038 -0.966 1.00 0.39 H new ATOM 0 HA ALA A 79 0.769 -19.477 -2.068 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.506 -18.467 -3.486 1.00 0.46 H new ATOM 0 HB2 ALA A 79 0.873 -18.156 -4.120 1.00 0.46 H new ATOM 0 HB3 ALA A 79 1.756 -16.869 -3.264 1.00 0.46 H new ATOM 1160 N ALA A 80 2.647 -19.218 -0.455 1.00 0.34 N ATOM 1161 CA ALA A 80 3.529 -19.163 0.703 1.00 0.33 C ATOM 1162 C ALA A 80 4.797 -18.364 0.414 1.00 0.34 C ATOM 1163 O ALA A 80 5.739 -18.865 -0.200 1.00 0.44 O ATOM 1164 CB ALA A 80 3.876 -20.573 1.151 1.00 0.37 C ATOM 0 H ALA A 80 2.630 -20.123 -0.925 1.00 0.34 H new ATOM 0 HA ALA A 80 3.001 -18.648 1.506 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.536 -20.527 2.017 1.00 0.37 H new ATOM 0 HB2 ALA A 80 2.963 -21.105 1.418 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.379 -21.099 0.339 1.00 0.37 H new ATOM 1170 N GLY A 81 4.799 -17.117 0.850 1.00 0.28 N ATOM 1171 CA GLY A 81 5.951 -16.252 0.691 1.00 0.29 C ATOM 1172 C GLY A 81 5.818 -15.033 1.566 1.00 0.25 C ATOM 1173 O GLY A 81 4.742 -14.757 2.078 1.00 0.26 O ATOM 0 H GLY A 81 4.007 -16.679 1.321 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.860 -16.795 0.949 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.046 -15.950 -0.352 1.00 0.29 H new ATOM 1177 N THR A 82 6.877 -14.288 1.751 1.00 0.26 N ATOM 1178 CA THR A 82 6.783 -13.112 2.585 1.00 0.25 C ATOM 1179 C THR A 82 6.664 -11.865 1.715 1.00 0.25 C ATOM 1180 O THR A 82 7.430 -11.662 0.773 1.00 0.30 O ATOM 1181 CB THR A 82 7.986 -12.996 3.543 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.272 -14.281 4.119 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.685 -12.009 4.659 1.00 0.36 C ATOM 0 H THR A 82 7.796 -14.466 1.347 1.00 0.26 H new ATOM 0 HA THR A 82 5.888 -13.204 3.200 1.00 0.25 H new ATOM 0 HB THR A 82 8.847 -12.642 2.975 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.127 -14.242 4.597 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.545 -11.940 5.325 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.478 -11.028 4.231 1.00 0.36 H new ATOM 0 HG23 THR A 82 6.816 -12.350 5.222 1.00 0.36 H new ATOM 1191 N HIS A 83 5.687 -11.040 2.045 1.00 0.24 N ATOM 1192 CA HIS A 83 5.320 -9.904 1.222 1.00 0.25 C ATOM 1193 C HIS A 83 5.868 -8.623 1.835 1.00 0.24 C ATOM 1194 O HIS A 83 5.327 -8.109 2.813 1.00 0.24 O ATOM 1195 CB HIS A 83 3.789 -9.794 1.109 1.00 0.27 C ATOM 1196 CG HIS A 83 3.333 -9.017 -0.087 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.576 -7.669 -0.242 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.649 -9.402 -1.189 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.061 -7.254 -1.383 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.492 -8.288 -1.982 1.00 0.39 N ATOM 0 H HIS A 83 5.126 -11.139 2.891 1.00 0.24 H new ATOM 0 HA HIS A 83 5.743 -10.048 0.228 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.363 -10.796 1.065 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.399 -9.321 2.010 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.078 -7.082 0.424 1.00 0.40 H new ATOM 0 HD2 HIS A 83 2.293 -10.398 -1.406 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.097 -6.244 -1.763 1.00 0.40 H new ATOM 1209 N ALA A 84 6.913 -8.086 1.237 1.00 0.25 N ATOM 1210 CA ALA A 84 7.493 -6.847 1.720 1.00 0.25 C ATOM 1211 C ALA A 84 7.016 -5.704 0.850 1.00 0.25 C ATOM 1212 O ALA A 84 7.332 -5.631 -0.335 1.00 0.35 O ATOM 1213 CB ALA A 84 9.012 -6.929 1.732 1.00 0.31 C ATOM 0 H ALA A 84 7.376 -8.485 0.420 1.00 0.25 H new ATOM 0 HA ALA A 84 7.170 -6.673 2.746 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.424 -5.989 2.098 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.327 -7.742 2.386 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.374 -7.115 0.721 1.00 0.31 H new ATOM 1219 N VAL A 85 6.214 -4.834 1.439 1.00 0.22 N ATOM 1220 CA VAL A 85 5.523 -3.811 0.677 1.00 0.23 C ATOM 1221 C VAL A 85 6.160 -2.453 0.892 1.00 0.22 C ATOM 1222 O VAL A 85 5.950 -1.824 1.928 1.00 0.25 O ATOM 1223 CB VAL A 85 4.042 -3.726 1.083 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.216 -3.093 -0.022 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.508 -5.097 1.455 1.00 0.59 C ATOM 0 H VAL A 85 6.026 -4.816 2.441 1.00 0.22 H new ATOM 0 HA VAL A 85 5.598 -4.089 -0.374 1.00 0.23 H new ATOM 0 HB VAL A 85 3.963 -3.088 1.963 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.172 -3.043 0.287 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.584 -2.086 -0.220 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.298 -3.694 -0.927 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.459 -5.014 1.739 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.601 -5.768 0.601 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.080 -5.495 2.293 1.00 0.59 H new ATOM 1235 N ASN A 86 6.932 -2.011 -0.089 1.00 0.22 N ATOM 1236 CA ASN A 86 7.539 -0.688 -0.055 1.00 0.22 C ATOM 1237 C ASN A 86 6.860 0.198 -1.084 1.00 0.20 C ATOM 1238 O ASN A 86 7.123 0.096 -2.281 1.00 0.24 O ATOM 1239 CB ASN A 86 9.046 -0.754 -0.346 1.00 0.28 C ATOM 1240 CG ASN A 86 9.871 -1.423 0.747 1.00 0.85 C ATOM 1241 OD1 ASN A 86 11.001 -1.022 1.011 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.331 -2.459 1.370 1.00 0.94 N ATOM 0 H ASN A 86 7.154 -2.553 -0.924 1.00 0.22 H new ATOM 0 HA ASN A 86 7.408 -0.275 0.945 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.200 -1.293 -1.281 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.419 0.259 -0.497 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.857 -2.950 2.094 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.389 -2.766 1.126 1.00 0.94 H new ATOM 1249 N LEU A 87 5.996 1.072 -0.605 1.00 0.18 N ATOM 1250 CA LEU A 87 5.217 1.934 -1.473 1.00 0.19 C ATOM 1251 C LEU A 87 5.750 3.357 -1.428 1.00 0.18 C ATOM 1252 O LEU A 87 5.854 3.947 -0.365 1.00 0.18 O ATOM 1253 CB LEU A 87 3.746 1.910 -1.059 1.00 0.20 C ATOM 1254 CG LEU A 87 3.047 0.561 -1.221 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.679 0.594 -0.568 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.912 0.212 -2.683 1.00 0.22 C ATOM 0 H LEU A 87 5.815 1.204 0.390 1.00 0.18 H new ATOM 0 HA LEU A 87 5.302 1.564 -2.495 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.674 2.216 -0.015 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.207 2.653 -1.647 1.00 0.20 H new ATOM 0 HG LEU A 87 3.652 -0.202 -0.731 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.193 -0.374 -0.692 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.788 0.812 0.494 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.071 1.368 -1.037 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.412 -0.752 -2.782 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.325 0.979 -3.187 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.902 0.156 -3.137 1.00 0.22 H new ATOM 1268 N THR A 88 6.056 3.909 -2.584 1.00 0.21 N ATOM 1269 CA THR A 88 6.672 5.213 -2.670 1.00 0.21 C ATOM 1270 C THR A 88 5.647 6.278 -3.063 1.00 0.21 C ATOM 1271 O THR A 88 5.004 6.193 -4.111 1.00 0.29 O ATOM 1272 CB THR A 88 7.820 5.194 -3.695 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.606 4.013 -3.515 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.711 6.415 -3.536 1.00 0.29 C ATOM 0 H THR A 88 5.885 3.466 -3.487 1.00 0.21 H new ATOM 0 HA THR A 88 7.071 5.462 -1.687 1.00 0.21 H new ATOM 0 HB THR A 88 7.385 5.205 -4.694 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.353 3.346 -4.187 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.514 6.378 -4.272 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.121 7.319 -3.689 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.138 6.426 -2.533 1.00 0.29 H new ATOM 1282 N TYR A 89 5.502 7.268 -2.199 1.00 0.24 N ATOM 1283 CA TYR A 89 4.576 8.371 -2.399 1.00 0.27 C ATOM 1284 C TYR A 89 5.260 9.461 -3.222 1.00 0.27 C ATOM 1285 O TYR A 89 6.015 10.274 -2.683 1.00 0.30 O ATOM 1286 CB TYR A 89 4.143 8.915 -1.028 1.00 0.37 C ATOM 1287 CG TYR A 89 3.025 9.929 -1.069 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.701 9.529 -1.040 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.291 11.282 -1.136 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.671 10.443 -1.079 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.267 12.205 -1.172 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.960 11.782 -1.143 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.058 12.704 -1.209 1.00 0.80 O ATOM 0 H TYR A 89 6.030 7.330 -1.328 1.00 0.24 H new ATOM 0 HA TYR A 89 3.692 8.031 -2.939 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.831 8.078 -0.403 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.008 9.369 -0.544 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.469 8.476 -0.986 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.316 11.622 -1.161 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.355 10.108 -1.059 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.492 13.260 -1.223 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.184 12.986 -2.139 1.00 0.80 H new ATOM 1303 N MET A 90 5.001 9.464 -4.524 1.00 0.29 N ATOM 1304 CA MET A 90 5.705 10.352 -5.448 1.00 0.34 C ATOM 1305 C MET A 90 4.757 11.028 -6.409 1.00 0.38 C ATOM 1306 O MET A 90 3.645 10.558 -6.621 1.00 0.47 O ATOM 1307 CB MET A 90 6.689 9.573 -6.306 1.00 0.37 C ATOM 1308 CG MET A 90 7.820 8.923 -5.556 1.00 0.36 C ATOM 1309 SD MET A 90 9.003 8.165 -6.683 1.00 0.65 S ATOM 1310 CE MET A 90 7.882 7.404 -7.859 1.00 0.54 C ATOM 0 H MET A 90 4.308 8.861 -4.967 1.00 0.29 H new ATOM 0 HA MET A 90 6.212 11.089 -4.824 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.142 8.801 -6.847 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.109 10.248 -7.052 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.326 9.667 -4.941 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.423 8.166 -4.879 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.443 6.746 -8.523 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.131 6.824 -7.323 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.391 8.179 -8.447 1.00 0.54 H new ATOM 1320 N ARG A 91 5.214 12.136 -6.982 1.00 0.40 N ATOM 1321 CA ARG A 91 4.585 12.690 -8.171 1.00 0.49 C ATOM 1322 C ARG A 91 4.749 11.687 -9.309 1.00 0.58 C ATOM 1323 O ARG A 91 5.841 11.534 -9.823 1.00 0.65 O ATOM 1324 CB ARG A 91 5.222 14.039 -8.556 1.00 0.55 C ATOM 1325 CG ARG A 91 4.449 15.245 -8.052 1.00 0.67 C ATOM 1326 CD ARG A 91 5.061 16.558 -8.520 1.00 0.79 C ATOM 1327 NE ARG A 91 4.257 17.711 -8.112 1.00 1.37 N ATOM 1328 CZ ARG A 91 4.714 18.963 -8.045 1.00 1.71 C ATOM 1329 NH1 ARG A 91 5.962 19.246 -8.407 1.00 1.74 N ATOM 1330 NH2 ARG A 91 3.907 19.934 -7.639 1.00 2.59 N ATOM 0 H ARG A 91 6.016 12.666 -6.642 1.00 0.40 H new ATOM 0 HA ARG A 91 3.528 12.870 -7.973 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.237 14.078 -8.160 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.301 14.097 -9.642 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.417 15.183 -8.398 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.421 15.227 -6.962 1.00 0.67 H new ATOM 0 HD2 ARG A 91 6.067 16.655 -8.113 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.156 16.548 -9.606 1.00 0.79 H new ATOM 0 HE ARG A 91 3.282 17.546 -7.862 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.578 18.503 -8.739 1.00 1.74 H new ATOM 0 HH12 ARG A 91 6.304 20.206 -8.353 1.00 1.74 H new ATOM 0 HH21 ARG A 91 2.943 19.722 -7.380 1.00 2.59 H new ATOM 0 HH22 ARG A 91 4.250 20.893 -7.585 1.00 2.59 H new ATOM 1344 N PRO A 92 3.674 10.973 -9.685 1.00 0.67 N ATOM 1345 CA PRO A 92 3.744 9.798 -10.571 1.00 0.81 C ATOM 1346 C PRO A 92 4.605 9.989 -11.823 1.00 0.91 C ATOM 1347 O PRO A 92 5.235 9.044 -12.290 1.00 1.04 O ATOM 1348 CB PRO A 92 2.279 9.541 -10.961 1.00 0.92 C ATOM 1349 CG PRO A 92 1.487 10.678 -10.397 1.00 0.88 C ATOM 1350 CD PRO A 92 2.295 11.241 -9.268 1.00 0.72 C ATOM 0 HA PRO A 92 4.226 8.968 -10.054 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.169 9.490 -12.044 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.931 8.589 -10.560 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.302 11.437 -11.157 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.514 10.336 -10.045 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.114 12.307 -9.134 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.058 10.756 -8.321 1.00 0.72 H new ATOM 1358 N TRP A 93 4.649 11.209 -12.348 1.00 0.90 N ATOM 1359 CA TRP A 93 5.391 11.478 -13.578 1.00 1.03 C ATOM 1360 C TRP A 93 6.858 11.826 -13.303 1.00 1.03 C ATOM 1361 O TRP A 93 7.637 12.022 -14.234 1.00 1.17 O ATOM 1362 CB TRP A 93 4.713 12.599 -14.381 1.00 1.08 C ATOM 1363 CG TRP A 93 4.448 13.848 -13.598 1.00 0.98 C ATOM 1364 CD1 TRP A 93 5.239 14.959 -13.527 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.301 14.122 -12.781 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.658 15.900 -12.714 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.468 15.411 -12.246 1.00 0.94 C ATOM 1368 CE3 TRP A 93 2.151 13.401 -12.450 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.529 15.995 -11.399 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.219 13.981 -11.612 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.413 15.266 -11.093 1.00 0.99 C ATOM 0 H TRP A 93 4.184 12.023 -11.946 1.00 0.90 H new ATOM 0 HA TRP A 93 5.381 10.562 -14.169 1.00 1.03 H new ATOM 0 HB2 TRP A 93 5.341 12.847 -15.236 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.769 12.226 -14.777 1.00 1.08 H new ATOM 0 HD1 TRP A 93 6.184 15.080 -14.036 1.00 1.01 H new ATOM 0 HE1 TRP A 93 5.050 16.816 -12.494 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.994 12.407 -12.843 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.677 16.987 -10.999 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.325 13.433 -11.353 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.667 15.690 -10.438 1.00 0.99 H new ATOM 1382 N THR A 94 7.235 11.894 -12.030 1.00 0.91 N ATOM 1383 CA THR A 94 8.612 12.190 -11.650 1.00 0.95 C ATOM 1384 C THR A 94 8.889 11.787 -10.193 1.00 0.86 C ATOM 1385 O THR A 94 9.628 10.835 -9.945 1.00 1.07 O ATOM 1386 CB THR A 94 8.974 13.683 -11.888 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.248 13.999 -11.308 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.909 14.619 -11.325 1.00 0.85 C ATOM 0 H THR A 94 6.604 11.748 -11.242 1.00 0.91 H new ATOM 0 HA THR A 94 9.254 11.591 -12.296 1.00 0.95 H new ATOM 0 HB THR A 94 9.024 13.830 -12.967 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.457 14.943 -11.471 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.198 15.653 -11.511 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.954 14.417 -11.810 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.813 14.457 -10.251 1.00 0.85 H new ATOM 1396 N GLY A 95 8.283 12.489 -9.237 1.00 0.64 N ATOM 1397 CA GLY A 95 8.531 12.204 -7.835 1.00 0.60 C ATOM 1398 C GLY A 95 9.895 12.682 -7.406 1.00 0.70 C ATOM 1399 O GLY A 95 10.837 11.888 -7.341 1.00 1.16 O ATOM 0 H GLY A 95 7.625 13.249 -9.410 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.767 12.685 -7.224 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.449 11.131 -7.661 1.00 0.60 H new ATOM 1403 N PRO A 96 10.026 13.998 -7.165 1.00 0.64 N ATOM 1404 CA PRO A 96 11.221 14.610 -6.596 1.00 0.90 C ATOM 1405 C PRO A 96 11.945 13.701 -5.606 1.00 0.98 C ATOM 1406 O PRO A 96 11.408 13.362 -4.548 1.00 1.17 O ATOM 1407 CB PRO A 96 10.631 15.825 -5.901 1.00 1.02 C ATOM 1408 CG PRO A 96 9.539 16.268 -6.809 1.00 1.20 C ATOM 1409 CD PRO A 96 9.003 15.020 -7.463 1.00 0.97 C ATOM 0 HA PRO A 96 11.985 14.834 -7.341 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.249 15.572 -4.912 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.377 16.607 -5.764 1.00 1.02 H new ATOM 0 HG2 PRO A 96 8.756 16.783 -6.253 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.914 16.968 -7.555 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.030 14.742 -7.057 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.874 15.155 -8.537 1.00 0.97 H new ATOM 1417 N SER A 97 13.161 13.317 -5.987 1.00 1.20 N ATOM 1418 CA SER A 97 13.959 12.314 -5.284 1.00 1.48 C ATOM 1419 C SER A 97 13.890 12.442 -3.764 1.00 1.31 C ATOM 1420 O SER A 97 13.522 11.493 -3.072 1.00 1.86 O ATOM 1421 CB SER A 97 15.406 12.423 -5.753 1.00 2.04 C ATOM 1422 OG SER A 97 15.824 13.779 -5.787 1.00 2.64 O ATOM 0 H SER A 97 13.629 13.701 -6.808 1.00 1.20 H new ATOM 0 HA SER A 97 13.543 11.336 -5.525 1.00 1.48 H new ATOM 0 HB2 SER A 97 16.053 11.855 -5.085 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.506 11.982 -6.745 1.00 2.04 H new ATOM 0 HG SER A 97 16.755 13.827 -6.089 1.00 2.64 H new ATOM 1428 N HIS A 98 14.222 13.615 -3.243 1.00 1.20 N ATOM 1429 CA HIS A 98 14.290 13.793 -1.799 1.00 1.22 C ATOM 1430 C HIS A 98 13.038 14.472 -1.257 1.00 0.98 C ATOM 1431 O HIS A 98 13.057 15.026 -0.160 1.00 1.07 O ATOM 1432 CB HIS A 98 15.548 14.586 -1.398 1.00 1.58 C ATOM 1433 CG HIS A 98 15.559 16.019 -1.845 1.00 2.34 C ATOM 1434 ND1 HIS A 98 15.097 17.057 -1.062 1.00 3.02 N ATOM 1435 CD2 HIS A 98 15.989 16.586 -2.998 1.00 3.23 C ATOM 1436 CE1 HIS A 98 15.240 18.195 -1.713 1.00 3.95 C ATOM 1437 NE2 HIS A 98 15.777 17.936 -2.887 1.00 4.09 N ATOM 0 H HIS A 98 14.446 14.447 -3.789 1.00 1.20 H new ATOM 0 HA HIS A 98 14.351 12.800 -1.354 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.647 14.558 -0.313 1.00 1.58 H new ATOM 0 HB3 HIS A 98 16.423 14.085 -1.811 1.00 1.58 H new ATOM 0 HD2 HIS A 98 16.418 16.071 -3.845 1.00 3.23 H new ATOM 0 HE1 HIS A 98 14.964 19.172 -1.346 1.00 3.95 H new ATOM 0 HE2 HIS A 98 16.000 18.630 -3.601 1.00 4.09 H new ATOM 1446 N ASP A 99 11.945 14.433 -2.012 1.00 0.79 N ATOM 1447 CA ASP A 99 10.712 15.057 -1.555 1.00 0.79 C ATOM 1448 C ASP A 99 9.575 14.042 -1.552 1.00 0.77 C ATOM 1449 O ASP A 99 8.416 14.375 -1.298 1.00 1.35 O ATOM 1450 CB ASP A 99 10.367 16.257 -2.441 1.00 0.96 C ATOM 1451 CG ASP A 99 9.447 17.242 -1.745 1.00 1.18 C ATOM 1452 OD1 ASP A 99 9.605 17.455 -0.524 1.00 1.35 O ATOM 1453 OD2 ASP A 99 8.548 17.795 -2.418 1.00 1.67 O ATOM 0 H ASP A 99 11.888 13.984 -2.926 1.00 0.79 H new ATOM 0 HA ASP A 99 10.854 15.413 -0.535 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.286 16.766 -2.733 1.00 0.96 H new ATOM 0 HB3 ASP A 99 9.892 15.905 -3.357 1.00 0.96 H new ATOM 1458 N SER A 100 9.925 12.794 -1.827 1.00 0.51 N ATOM 1459 CA SER A 100 8.954 11.716 -1.880 1.00 0.45 C ATOM 1460 C SER A 100 8.940 10.921 -0.573 1.00 0.46 C ATOM 1461 O SER A 100 9.966 10.779 0.098 1.00 0.69 O ATOM 1462 CB SER A 100 9.283 10.798 -3.055 1.00 0.55 C ATOM 1463 OG SER A 100 9.330 11.529 -4.270 1.00 1.39 O ATOM 0 H SER A 100 10.884 12.503 -2.018 1.00 0.51 H new ATOM 0 HA SER A 100 7.961 12.145 -2.018 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.242 10.309 -2.883 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.533 10.011 -3.128 1.00 0.55 H new ATOM 0 HG SER A 100 10.105 12.128 -4.261 1.00 1.39 H new ATOM 1469 N GLU A 101 7.768 10.409 -0.222 1.00 0.35 N ATOM 1470 CA GLU A 101 7.597 9.596 0.978 1.00 0.40 C ATOM 1471 C GLU A 101 7.568 8.119 0.581 1.00 0.40 C ATOM 1472 O GLU A 101 7.457 7.807 -0.597 1.00 0.68 O ATOM 1473 CB GLU A 101 6.295 10.004 1.692 1.00 0.46 C ATOM 1474 CG GLU A 101 5.931 9.156 2.907 1.00 0.62 C ATOM 1475 CD GLU A 101 6.940 9.248 4.034 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.128 8.948 3.795 1.00 1.91 O ATOM 1477 OE2 GLU A 101 6.553 9.630 5.162 1.00 1.19 O ATOM 0 H GLU A 101 6.911 10.544 -0.758 1.00 0.35 H new ATOM 0 HA GLU A 101 8.428 9.756 1.665 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.382 11.044 2.007 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.475 9.955 0.975 1.00 0.46 H new ATOM 0 HG2 GLU A 101 4.955 9.468 3.278 1.00 0.62 H new ATOM 0 HG3 GLU A 101 5.837 8.115 2.598 1.00 0.62 H new ATOM 1484 N ARG A 102 7.690 7.211 1.541 1.00 0.22 N ATOM 1485 CA ARG A 102 7.583 5.794 1.243 1.00 0.18 C ATOM 1486 C ARG A 102 7.109 5.007 2.462 1.00 0.17 C ATOM 1487 O ARG A 102 7.493 5.280 3.599 1.00 0.20 O ATOM 1488 CB ARG A 102 8.921 5.239 0.728 1.00 0.23 C ATOM 1489 CG ARG A 102 8.797 3.866 0.084 1.00 0.26 C ATOM 1490 CD ARG A 102 10.079 3.422 -0.603 1.00 0.36 C ATOM 1491 NE ARG A 102 9.818 2.359 -1.578 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.756 1.598 -2.142 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.032 1.746 -1.814 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.406 0.680 -3.039 1.00 0.52 N ATOM 0 H ARG A 102 7.861 7.430 2.522 1.00 0.22 H new ATOM 0 HA ARG A 102 6.838 5.677 0.456 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.340 5.936 0.002 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.625 5.181 1.558 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.526 3.135 0.846 1.00 0.26 H new ATOM 0 HG3 ARG A 102 7.986 3.883 -0.644 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.540 4.273 -1.104 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.791 3.068 0.143 1.00 0.36 H new ATOM 0 HE ARG A 102 8.848 2.189 -1.844 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.303 2.447 -1.125 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.742 1.159 -2.251 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.425 0.562 -3.291 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.119 0.094 -3.474 1.00 0.52 H new ATOM 1508 N PHE A 103 6.248 4.049 2.183 1.00 0.15 N ATOM 1509 CA PHE A 103 5.663 3.168 3.173 1.00 0.17 C ATOM 1510 C PHE A 103 6.330 1.805 3.081 1.00 0.18 C ATOM 1511 O PHE A 103 6.877 1.458 2.035 1.00 0.21 O ATOM 1512 CB PHE A 103 4.152 3.064 2.909 1.00 0.18 C ATOM 1513 CG PHE A 103 3.526 1.777 3.323 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.499 0.702 2.461 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.958 1.647 4.578 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.915 -0.481 2.841 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.374 0.469 4.962 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.383 -0.612 4.088 1.00 0.86 C ATOM 0 H PHE A 103 5.927 3.857 1.234 1.00 0.15 H new ATOM 0 HA PHE A 103 5.817 3.559 4.179 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.651 3.879 3.431 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.974 3.211 1.844 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.940 0.791 1.479 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.975 2.483 5.262 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.877 -1.310 2.149 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.911 0.381 5.934 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.967 -1.559 4.399 1.00 0.86 H new ATOM 1528 N THR A 104 6.279 1.028 4.154 1.00 0.17 N ATOM 1529 CA THR A 104 6.901 -0.279 4.155 1.00 0.19 C ATOM 1530 C THR A 104 6.311 -1.162 5.244 1.00 0.17 C ATOM 1531 O THR A 104 6.631 -1.009 6.423 1.00 0.18 O ATOM 1532 CB THR A 104 8.430 -0.171 4.362 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.039 0.503 3.254 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.058 -1.547 4.533 1.00 0.26 C ATOM 0 H THR A 104 5.816 1.282 5.027 1.00 0.17 H new ATOM 0 HA THR A 104 6.705 -0.729 3.182 1.00 0.19 H new ATOM 0 HB THR A 104 8.603 0.405 5.271 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.367 0.663 2.559 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.133 -1.441 4.677 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.623 -2.040 5.402 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.868 -2.147 3.643 1.00 0.26 H new ATOM 1542 N VAL A 105 5.436 -2.077 4.858 1.00 0.17 N ATOM 1543 CA VAL A 105 5.016 -3.112 5.779 1.00 0.17 C ATOM 1544 C VAL A 105 5.667 -4.437 5.409 1.00 0.21 C ATOM 1545 O VAL A 105 5.804 -4.777 4.229 1.00 0.25 O ATOM 1546 CB VAL A 105 3.482 -3.285 5.827 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.945 -3.756 4.490 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.087 -4.258 6.927 1.00 0.88 C ATOM 0 H VAL A 105 5.012 -2.122 3.931 1.00 0.17 H new ATOM 0 HA VAL A 105 5.338 -2.799 6.772 1.00 0.17 H new ATOM 0 HB VAL A 105 3.042 -2.312 6.047 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.863 -3.870 4.552 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.189 -3.023 3.721 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.396 -4.715 4.234 1.00 0.79 H new ATOM 0 HG21 VAL A 105 2.003 -4.366 6.945 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.546 -5.228 6.736 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.429 -3.878 7.889 1.00 0.88 H new ATOM 1558 N TYR A 106 6.096 -5.156 6.419 1.00 0.24 N ATOM 1559 CA TYR A 106 6.614 -6.493 6.239 1.00 0.28 C ATOM 1560 C TYR A 106 5.575 -7.492 6.704 1.00 0.27 C ATOM 1561 O TYR A 106 5.371 -7.675 7.900 1.00 0.36 O ATOM 1562 CB TYR A 106 7.894 -6.699 7.038 1.00 0.38 C ATOM 1563 CG TYR A 106 9.084 -5.892 6.573 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.943 -6.379 5.596 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.332 -4.629 7.092 1.00 0.49 C ATOM 1566 CE1 TYR A 106 11.016 -5.632 5.154 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.407 -3.877 6.657 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.301 -4.432 5.746 1.00 0.58 C ATOM 1569 OH TYR A 106 12.310 -3.634 5.238 1.00 0.70 O ATOM 0 H TYR A 106 6.096 -4.833 7.386 1.00 0.24 H new ATOM 0 HA TYR A 106 6.839 -6.637 5.182 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.695 -6.453 8.081 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.157 -7.756 7.004 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.768 -7.358 5.175 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.674 -4.227 7.848 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.630 -5.994 4.342 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.552 -2.870 7.020 1.00 0.57 H new ATOM 0 HH TYR A 106 12.382 -2.817 5.774 1.00 0.70 H new ATOM 1579 N LEU A 107 4.912 -8.122 5.767 1.00 0.26 N ATOM 1580 CA LEU A 107 3.883 -9.083 6.096 1.00 0.29 C ATOM 1581 C LEU A 107 4.184 -10.395 5.398 1.00 0.31 C ATOM 1582 O LEU A 107 4.762 -10.398 4.326 1.00 0.45 O ATOM 1583 CB LEU A 107 2.515 -8.528 5.682 1.00 0.39 C ATOM 1584 CG LEU A 107 2.261 -8.449 4.173 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.513 -9.678 3.685 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.496 -7.187 3.830 1.00 2.02 C ATOM 0 H LEU A 107 5.065 -7.988 4.767 1.00 0.26 H new ATOM 0 HA LEU A 107 3.863 -9.264 7.171 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.740 -9.150 6.131 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.406 -7.529 6.103 1.00 0.39 H new ATOM 0 HG LEU A 107 3.225 -8.417 3.666 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.344 -9.599 2.611 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.103 -10.570 3.895 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.554 -9.748 4.199 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.324 -7.147 2.754 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.538 -7.189 4.351 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.074 -6.316 4.138 1.00 2.02 H new ATOM 1598 N LYS A 108 3.814 -11.509 5.992 1.00 0.25 N ATOM 1599 CA LYS A 108 4.055 -12.791 5.355 1.00 0.26 C ATOM 1600 C LYS A 108 2.766 -13.341 4.786 1.00 0.24 C ATOM 1601 O LYS A 108 1.819 -13.572 5.524 1.00 0.29 O ATOM 1602 CB LYS A 108 4.641 -13.798 6.333 1.00 0.32 C ATOM 1603 CG LYS A 108 5.117 -15.062 5.639 1.00 0.45 C ATOM 1604 CD LYS A 108 5.461 -16.154 6.634 1.00 0.76 C ATOM 1605 CE LYS A 108 6.655 -15.768 7.493 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.914 -15.685 6.701 1.00 1.89 N ATOM 0 H LYS A 108 3.352 -11.557 6.900 1.00 0.25 H new ATOM 0 HA LYS A 108 4.775 -12.629 4.553 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.476 -13.342 6.865 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.890 -14.056 7.079 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.342 -15.419 4.961 1.00 0.45 H new ATOM 0 HG3 LYS A 108 5.993 -14.835 5.031 1.00 0.45 H new ATOM 0 HD2 LYS A 108 4.600 -16.350 7.273 1.00 0.76 H new ATOM 0 HD3 LYS A 108 5.679 -17.079 6.100 1.00 0.76 H new ATOM 0 HE2 LYS A 108 6.463 -14.806 7.968 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.778 -16.500 8.292 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 8.698 -15.403 7.324 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 8.122 -16.614 6.282 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 7.802 -14.981 5.944 1.00 1.89 H new ATOM 1620 N ALA A 109 2.762 -13.608 3.491 1.00 0.24 N ATOM 1621 CA ALA A 109 1.552 -13.989 2.785 1.00 0.28 C ATOM 1622 C ALA A 109 1.529 -15.490 2.560 1.00 0.34 C ATOM 1623 O ALA A 109 2.496 -16.061 2.074 1.00 0.53 O ATOM 1624 CB ALA A 109 1.475 -13.254 1.454 1.00 0.37 C ATOM 0 H ALA A 109 3.594 -13.567 2.902 1.00 0.24 H new ATOM 0 HA ALA A 109 0.687 -13.715 3.389 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.565 -13.545 0.930 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.463 -12.179 1.632 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.342 -13.511 0.846 1.00 0.37 H new ATOM 1630 N ASN A 110 0.426 -16.118 2.936 1.00 0.41 N ATOM 1631 CA ASN A 110 0.285 -17.573 2.830 1.00 0.54 C ATOM 1632 C ASN A 110 -1.034 -18.021 3.435 1.00 0.95 C ATOM 1633 O ASN A 110 -1.685 -18.914 2.852 1.00 1.35 O ATOM 1634 CB ASN A 110 1.451 -18.341 3.493 1.00 0.56 C ATOM 1635 CG ASN A 110 1.598 -18.127 4.994 1.00 0.80 C ATOM 1636 OD1 ASN A 110 1.840 -19.082 5.739 1.00 1.58 O ATOM 1637 ND2 ASN A 110 1.538 -16.886 5.448 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.443 -17.441 4.459 1.00 1.78 O ATOM 0 H ASN A 110 -0.392 -15.645 3.320 1.00 0.41 H new ATOM 0 HA ASN A 110 0.306 -17.810 1.766 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.316 -19.406 3.305 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.381 -18.047 3.007 1.00 0.56 H new ATOM 0 HD21 ASN A 110 1.694 -16.697 6.438 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.336 -16.118 4.808 1.00 0.56 H new TER 1645 ASN A 110