USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 785 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 30 GLN : amide:sc= 2.18 K(o=2.9,f=-7.4!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.669 USER MOD Set 2.1: A 10 ASN : amide:sc= 1.28 K(o=2.8,f=1.1) USER MOD Set 2.2: A 87 GLN : amide:sc= 1.55 K(o=2.8,f=-5.7!) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 HIS : no HD1:sc= 1.13 K(o=1.1,f=-6.6!) USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.00409 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00373 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 81:sc= 0.841 USER MOD Single : A 26 ASN : amide:sc= 0.561 K(o=0.56,f=-5.3!) USER MOD Single : A 27 SER OG : rot 180:sc=0.000343 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.247 K(o=0.25,f=-4.8!) USER MOD Single : A 36 MET CE :methyl -177:sc= -0.0248 (180deg=-0.0504) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -71:sc= 1.3 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.213 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 170:sc= 0.379 USER MOD Single : A 86 GLN : amide:sc=-0.00948 K(o=-0.0095,f=-0.63) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.014 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 102 GLN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.699 -9.612 7.622 1.00 0.00 N ATOM 2 CA SER A 1 4.151 -9.290 7.548 1.00 0.00 C ATOM 3 C SER A 1 4.600 -8.327 8.656 1.00 0.00 C ATOM 4 O SER A 1 5.297 -8.756 9.576 1.00 0.00 O ATOM 5 CB SER A 1 4.568 -8.798 6.151 1.00 0.00 C ATOM 6 OG SER A 1 4.187 -9.766 5.183 1.00 0.00 O ATOM 0 H1 SER A 1 2.352 -9.872 6.677 1.00 0.00 H new ATOM 0 H2 SER A 1 2.553 -10.408 8.275 1.00 0.00 H new ATOM 0 H3 SER A 1 2.176 -8.781 7.966 1.00 0.00 H new ATOM 0 HA SER A 1 4.679 -10.227 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.094 -7.841 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.645 -8.635 6.116 1.00 0.00 H new ATOM 0 HG SER A 1 4.449 -9.457 4.291 1.00 0.00 H new ATOM 14 N VAL A 2 4.208 -7.042 8.611 1.00 0.00 N ATOM 15 CA VAL A 2 4.512 -6.018 9.644 1.00 0.00 C ATOM 16 C VAL A 2 3.260 -5.223 10.044 1.00 0.00 C ATOM 17 O VAL A 2 2.292 -5.153 9.282 1.00 0.00 O ATOM 18 CB VAL A 2 5.640 -5.054 9.204 1.00 0.00 C ATOM 19 CG1 VAL A 2 6.973 -5.786 9.032 1.00 0.00 C ATOM 20 CG2 VAL A 2 5.329 -4.289 7.909 1.00 0.00 C ATOM 0 H VAL A 2 3.656 -6.670 7.838 1.00 0.00 H new ATOM 0 HA VAL A 2 4.865 -6.566 10.517 1.00 0.00 H new ATOM 0 HB VAL A 2 5.713 -4.327 10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.740 -5.076 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.262 -6.243 9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.867 -6.560 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.165 -3.634 7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.173 -4.998 7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.428 -3.692 8.047 1.00 0.00 H new ATOM 30 N SER A 3 3.279 -4.615 11.233 1.00 0.00 N ATOM 31 CA SER A 3 2.184 -3.772 11.750 1.00 0.00 C ATOM 32 C SER A 3 1.992 -2.496 10.917 1.00 0.00 C ATOM 33 O SER A 3 2.961 -1.885 10.466 1.00 0.00 O ATOM 34 CB SER A 3 2.443 -3.400 13.217 1.00 0.00 C ATOM 35 OG SER A 3 2.585 -4.574 14.009 1.00 0.00 O ATOM 0 H SER A 3 4.065 -4.692 11.878 1.00 0.00 H new ATOM 0 HA SER A 3 1.267 -4.357 11.677 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.345 -2.792 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.619 -2.795 13.596 1.00 0.00 H new ATOM 0 HG SER A 3 2.751 -4.322 14.941 1.00 0.00 H new ATOM 41 N ILE A 4 0.740 -2.050 10.764 1.00 0.00 N ATOM 42 CA ILE A 4 0.353 -0.921 9.887 1.00 0.00 C ATOM 43 C ILE A 4 0.955 0.446 10.274 1.00 0.00 C ATOM 44 O ILE A 4 0.973 1.365 9.452 1.00 0.00 O ATOM 45 CB ILE A 4 -1.186 -0.820 9.737 1.00 0.00 C ATOM 46 CG1 ILE A 4 -1.951 -0.317 10.988 1.00 0.00 C ATOM 47 CG2 ILE A 4 -1.784 -2.134 9.202 1.00 0.00 C ATOM 48 CD1 ILE A 4 -1.873 -1.165 12.266 1.00 0.00 C ATOM 0 H ILE A 4 -0.053 -2.466 11.252 1.00 0.00 H new ATOM 0 HA ILE A 4 0.795 -1.165 8.921 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.334 -0.032 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.584 0.681 11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.002 -0.214 10.718 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.865 -2.030 9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.355 -2.358 8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.556 -2.945 9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.456 -0.689 13.055 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.274 -2.159 12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.834 -1.250 12.584 1.00 0.00 H new ATOM 60 N LEU A 5 1.475 0.584 11.501 1.00 0.00 N ATOM 61 CA LEU A 5 2.180 1.782 11.978 1.00 0.00 C ATOM 62 C LEU A 5 3.580 1.957 11.341 1.00 0.00 C ATOM 63 O LEU A 5 4.111 3.070 11.322 1.00 0.00 O ATOM 64 CB LEU A 5 2.242 1.698 13.519 1.00 0.00 C ATOM 65 CG LEU A 5 2.810 2.935 14.246 1.00 0.00 C ATOM 66 CD1 LEU A 5 1.993 4.202 13.983 1.00 0.00 C ATOM 67 CD2 LEU A 5 2.813 2.681 15.754 1.00 0.00 C ATOM 0 H LEU A 5 1.416 -0.151 12.206 1.00 0.00 H new ATOM 0 HA LEU A 5 1.633 2.673 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.235 1.513 13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.847 0.833 13.791 1.00 0.00 H new ATOM 0 HG LEU A 5 3.818 3.092 13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.438 5.040 14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.988 4.416 12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.970 4.053 14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.214 3.554 16.269 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.794 2.495 16.094 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.433 1.812 15.975 1.00 0.00 H new ATOM 79 N ARG A 6 4.185 0.879 10.812 1.00 0.00 N ATOM 80 CA ARG A 6 5.519 0.899 10.180 1.00 0.00 C ATOM 81 C ARG A 6 5.468 1.456 8.747 1.00 0.00 C ATOM 82 O ARG A 6 4.496 1.235 8.018 1.00 0.00 O ATOM 83 CB ARG A 6 6.141 -0.514 10.188 1.00 0.00 C ATOM 84 CG ARG A 6 6.284 -1.165 11.579 1.00 0.00 C ATOM 85 CD ARG A 6 7.100 -0.347 12.593 1.00 0.00 C ATOM 86 NE ARG A 6 8.498 -0.146 12.157 1.00 0.00 N ATOM 87 CZ ARG A 6 9.406 0.620 12.741 1.00 0.00 C ATOM 88 NH1 ARG A 6 9.145 1.318 13.811 1.00 0.00 N ATOM 89 NH2 ARG A 6 10.611 0.697 12.254 1.00 0.00 N ATOM 0 H ARG A 6 3.755 -0.046 10.811 1.00 0.00 H new ATOM 0 HA ARG A 6 6.149 1.567 10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.531 -1.165 9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.127 -0.461 9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.288 -1.336 11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.752 -2.142 11.461 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.625 0.623 12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.092 -0.856 13.557 1.00 0.00 H new ATOM 0 HE ARG A 6 8.793 -0.649 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.214 1.285 14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.872 1.897 14.232 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.859 0.166 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.307 1.289 12.707 1.00 0.00 H new ATOM 103 N SER A 7 6.535 2.141 8.330 1.00 0.00 N ATOM 104 CA SER A 7 6.685 2.694 6.971 1.00 0.00 C ATOM 105 C SER A 7 6.899 1.597 5.916 1.00 0.00 C ATOM 106 O SER A 7 7.507 0.559 6.196 1.00 0.00 O ATOM 107 CB SER A 7 7.849 3.694 6.919 1.00 0.00 C ATOM 108 OG SER A 7 7.671 4.721 7.887 1.00 0.00 O ATOM 0 H SER A 7 7.335 2.333 8.933 1.00 0.00 H new ATOM 0 HA SER A 7 5.752 3.207 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.790 3.175 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.914 4.133 5.923 1.00 0.00 H new ATOM 0 HG SER A 7 8.423 5.348 7.841 1.00 0.00 H new ATOM 114 N SER A 8 6.420 1.830 4.689 1.00 0.00 N ATOM 115 CA SER A 8 6.569 0.899 3.555 1.00 0.00 C ATOM 116 C SER A 8 7.966 0.948 2.914 1.00 0.00 C ATOM 117 O SER A 8 8.715 1.915 3.082 1.00 0.00 O ATOM 118 CB SER A 8 5.476 1.172 2.511 1.00 0.00 C ATOM 119 OG SER A 8 5.668 2.445 1.911 1.00 0.00 O ATOM 0 H SER A 8 5.911 2.680 4.448 1.00 0.00 H new ATOM 0 HA SER A 8 6.454 -0.111 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.494 0.396 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.495 1.131 2.984 1.00 0.00 H new ATOM 0 HG SER A 8 4.965 2.603 1.247 1.00 0.00 H new ATOM 125 N VAL A 9 8.307 -0.078 2.120 1.00 0.00 N ATOM 126 CA VAL A 9 9.622 -0.188 1.443 1.00 0.00 C ATOM 127 C VAL A 9 9.919 0.984 0.494 1.00 0.00 C ATOM 128 O VAL A 9 11.079 1.342 0.309 1.00 0.00 O ATOM 129 CB VAL A 9 9.753 -1.558 0.738 1.00 0.00 C ATOM 130 CG1 VAL A 9 8.828 -1.711 -0.477 1.00 0.00 C ATOM 131 CG2 VAL A 9 11.192 -1.856 0.305 1.00 0.00 C ATOM 0 H VAL A 9 7.682 -0.860 1.924 1.00 0.00 H new ATOM 0 HA VAL A 9 10.386 -0.126 2.218 1.00 0.00 H new ATOM 0 HB VAL A 9 9.445 -2.281 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.972 -2.695 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.791 -1.605 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.063 -0.942 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.230 -2.829 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.530 -1.087 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.841 -1.865 1.181 1.00 0.00 H new ATOM 141 N ASN A 10 8.888 1.654 -0.037 1.00 0.00 N ATOM 142 CA ASN A 10 9.042 2.825 -0.910 1.00 0.00 C ATOM 143 C ASN A 10 9.783 3.993 -0.227 1.00 0.00 C ATOM 144 O ASN A 10 10.481 4.748 -0.899 1.00 0.00 O ATOM 145 CB ASN A 10 7.657 3.236 -1.432 1.00 0.00 C ATOM 146 CG ASN A 10 7.713 4.439 -2.365 1.00 0.00 C ATOM 147 OD1 ASN A 10 7.248 5.519 -2.034 1.00 0.00 O ATOM 148 ND2 ASN A 10 8.253 4.297 -3.552 1.00 0.00 N ATOM 0 H ASN A 10 7.915 1.396 0.129 1.00 0.00 H new ATOM 0 HA ASN A 10 9.677 2.550 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.207 2.394 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.009 3.467 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.284 5.087 -4.196 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.642 3.396 -3.831 1.00 0.00 H new ATOM 155 N HIS A 11 9.714 4.117 1.106 1.00 0.00 N ATOM 156 CA HIS A 11 10.449 5.158 1.843 1.00 0.00 C ATOM 157 C HIS A 11 11.966 4.945 1.751 1.00 0.00 C ATOM 158 O HIS A 11 12.676 5.837 1.286 1.00 0.00 O ATOM 159 CB HIS A 11 9.952 5.233 3.296 1.00 0.00 C ATOM 160 CG HIS A 11 8.567 5.823 3.429 1.00 0.00 C ATOM 161 ND1 HIS A 11 8.288 7.159 3.729 1.00 0.00 N ATOM 162 CD2 HIS A 11 7.391 5.153 3.255 1.00 0.00 C ATOM 163 CE1 HIS A 11 6.946 7.255 3.755 1.00 0.00 C ATOM 164 NE2 HIS A 11 6.384 6.069 3.464 1.00 0.00 N ATOM 0 H HIS A 11 9.153 3.506 1.700 1.00 0.00 H new ATOM 0 HA HIS A 11 10.248 6.123 1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.954 4.231 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 11 10.651 5.831 3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.273 4.109 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 11 6.397 8.158 3.978 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.383 5.880 3.408 1.00 0.00 H new ATOM 172 N ARG A 12 12.458 3.746 2.097 1.00 0.00 N ATOM 173 CA ARG A 12 13.893 3.406 1.973 1.00 0.00 C ATOM 174 C ARG A 12 14.361 3.301 0.520 1.00 0.00 C ATOM 175 O ARG A 12 15.466 3.728 0.211 1.00 0.00 O ATOM 176 CB ARG A 12 14.269 2.163 2.805 1.00 0.00 C ATOM 177 CG ARG A 12 13.539 0.863 2.423 1.00 0.00 C ATOM 178 CD ARG A 12 14.026 -0.333 3.257 1.00 0.00 C ATOM 179 NE ARG A 12 15.399 -0.748 2.891 1.00 0.00 N ATOM 180 CZ ARG A 12 16.121 -1.692 3.473 1.00 0.00 C ATOM 181 NH1 ARG A 12 15.669 -2.393 4.475 1.00 0.00 N ATOM 182 NH2 ARG A 12 17.325 -1.955 3.051 1.00 0.00 N ATOM 0 H ARG A 12 11.884 2.989 2.467 1.00 0.00 H new ATOM 0 HA ARG A 12 14.441 4.247 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.342 1.997 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.069 2.376 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.466 0.993 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.696 0.656 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.997 -0.072 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.345 -1.173 3.117 1.00 0.00 H new ATOM 0 HE ARG A 12 15.833 -0.256 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.730 -2.222 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.254 -3.113 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.716 -1.432 2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.876 -2.684 3.504 1.00 0.00 H new ATOM 196 N GLU A 13 13.507 2.814 -0.379 1.00 0.00 N ATOM 197 CA GLU A 13 13.770 2.760 -1.827 1.00 0.00 C ATOM 198 C GLU A 13 14.070 4.150 -2.413 1.00 0.00 C ATOM 199 O GLU A 13 15.089 4.335 -3.086 1.00 0.00 O ATOM 200 CB GLU A 13 12.524 2.147 -2.485 1.00 0.00 C ATOM 201 CG GLU A 13 12.479 2.139 -4.016 1.00 0.00 C ATOM 202 CD GLU A 13 11.128 1.570 -4.501 1.00 0.00 C ATOM 203 OE1 GLU A 13 10.080 2.244 -4.329 1.00 0.00 O ATOM 204 OE2 GLU A 13 11.110 0.445 -5.057 1.00 0.00 O ATOM 0 H GLU A 13 12.594 2.438 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 13 14.656 2.156 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.429 1.118 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.649 2.687 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.615 3.151 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.299 1.538 -4.409 1.00 0.00 H new ATOM 211 N VAL A 14 13.213 5.142 -2.140 1.00 0.00 N ATOM 212 CA VAL A 14 13.364 6.494 -2.706 1.00 0.00 C ATOM 213 C VAL A 14 14.425 7.302 -1.949 1.00 0.00 C ATOM 214 O VAL A 14 15.158 8.056 -2.579 1.00 0.00 O ATOM 215 CB VAL A 14 12.004 7.212 -2.804 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.113 8.583 -3.483 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.010 6.414 -3.660 1.00 0.00 C ATOM 0 H VAL A 14 12.404 5.036 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 14 13.732 6.400 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 14 11.667 7.313 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.128 9.047 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.788 9.219 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.501 8.458 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.061 6.948 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.411 6.294 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.851 5.432 -3.213 1.00 0.00 H new ATOM 227 N ASP A 15 14.589 7.108 -0.634 1.00 0.00 N ATOM 228 CA ASP A 15 15.722 7.682 0.111 1.00 0.00 C ATOM 229 C ASP A 15 17.080 7.179 -0.422 1.00 0.00 C ATOM 230 O ASP A 15 17.982 7.982 -0.671 1.00 0.00 O ATOM 231 CB ASP A 15 15.570 7.340 1.599 1.00 0.00 C ATOM 232 CG ASP A 15 16.755 7.862 2.429 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.845 9.098 2.624 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.583 7.045 2.897 1.00 0.00 O ATOM 0 H ASP A 15 13.950 6.557 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 15 15.709 8.763 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.643 7.770 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.491 6.259 1.717 1.00 0.00 H new ATOM 239 N GLU A 16 17.203 5.871 -0.676 1.00 0.00 N ATOM 240 CA GLU A 16 18.389 5.274 -1.298 1.00 0.00 C ATOM 241 C GLU A 16 18.613 5.801 -2.723 1.00 0.00 C ATOM 242 O GLU A 16 19.745 6.135 -3.074 1.00 0.00 O ATOM 243 CB GLU A 16 18.258 3.742 -1.294 1.00 0.00 C ATOM 244 CG GLU A 16 19.443 3.046 -1.976 1.00 0.00 C ATOM 245 CD GLU A 16 19.339 1.518 -1.818 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.855 0.970 -0.813 1.00 0.00 O ATOM 247 OE2 GLU A 16 18.749 0.848 -2.700 1.00 0.00 O ATOM 0 H GLU A 16 16.475 5.192 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 16 19.263 5.561 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.178 3.391 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.335 3.459 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.465 3.307 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.378 3.399 -1.541 1.00 0.00 H new ATOM 254 N ALA A 17 17.556 5.921 -3.536 1.00 0.00 N ATOM 255 CA ALA A 17 17.676 6.465 -4.886 1.00 0.00 C ATOM 256 C ALA A 17 18.139 7.940 -4.874 1.00 0.00 C ATOM 257 O ALA A 17 19.049 8.303 -5.623 1.00 0.00 O ATOM 258 CB ALA A 17 16.339 6.288 -5.614 1.00 0.00 C ATOM 0 H ALA A 17 16.608 5.647 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 17 18.448 5.916 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.418 6.691 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.090 5.228 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.556 6.819 -5.072 1.00 0.00 H new ATOM 264 N ILE A 18 17.580 8.776 -3.989 1.00 0.00 N ATOM 265 CA ILE A 18 18.029 10.166 -3.807 1.00 0.00 C ATOM 266 C ILE A 18 19.499 10.202 -3.380 1.00 0.00 C ATOM 267 O ILE A 18 20.275 10.913 -4.009 1.00 0.00 O ATOM 268 CB ILE A 18 17.104 10.922 -2.814 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.770 11.245 -3.524 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.743 12.216 -2.267 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.677 11.862 -2.640 1.00 0.00 C ATOM 0 H ILE A 18 16.806 8.511 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 18 17.957 10.688 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 18 16.935 10.274 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.974 11.929 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.381 10.326 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.051 12.701 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.666 11.972 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.964 12.890 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.786 12.048 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.433 11.174 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.035 12.803 -2.222 1.00 0.00 H new ATOM 283 N ASP A 19 19.914 9.417 -2.380 1.00 0.00 N ATOM 284 CA ASP A 19 21.317 9.359 -1.948 1.00 0.00 C ATOM 285 C ASP A 19 22.267 8.871 -3.059 1.00 0.00 C ATOM 286 O ASP A 19 23.352 9.427 -3.232 1.00 0.00 O ATOM 287 CB ASP A 19 21.422 8.464 -0.711 1.00 0.00 C ATOM 288 CG ASP A 19 22.865 8.427 -0.178 1.00 0.00 C ATOM 289 OD1 ASP A 19 23.318 9.437 0.413 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.540 7.380 -0.328 1.00 0.00 O ATOM 0 H ASP A 19 19.292 8.807 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 19 21.635 10.373 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.753 8.832 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.096 7.454 -0.960 1.00 0.00 H new ATOM 295 N ASN A 20 21.840 7.895 -3.870 1.00 0.00 N ATOM 296 CA ASN A 20 22.598 7.420 -5.023 1.00 0.00 C ATOM 297 C ASN A 20 22.811 8.546 -6.054 1.00 0.00 C ATOM 298 O ASN A 20 23.947 8.787 -6.461 1.00 0.00 O ATOM 299 CB ASN A 20 21.880 6.197 -5.629 1.00 0.00 C ATOM 300 CG ASN A 20 22.653 5.518 -6.753 1.00 0.00 C ATOM 301 OD1 ASN A 20 23.853 5.670 -6.917 1.00 0.00 O ATOM 302 ND2 ASN A 20 21.986 4.722 -7.558 1.00 0.00 N ATOM 0 H ASN A 20 20.951 7.412 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 20 23.593 7.111 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.694 5.470 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 20 20.908 6.511 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.471 4.237 -8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.983 4.589 -7.428 1.00 0.00 H new ATOM 309 N ILE A 21 21.758 9.296 -6.418 1.00 0.00 N ATOM 310 CA ILE A 21 21.885 10.461 -7.315 1.00 0.00 C ATOM 311 C ILE A 21 22.773 11.542 -6.688 1.00 0.00 C ATOM 312 O ILE A 21 23.676 12.051 -7.348 1.00 0.00 O ATOM 313 CB ILE A 21 20.490 11.011 -7.725 1.00 0.00 C ATOM 314 CG1 ILE A 21 19.973 10.337 -9.015 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.487 12.535 -7.976 1.00 0.00 C ATOM 316 CD1 ILE A 21 19.614 8.854 -8.855 1.00 0.00 C ATOM 0 H ILE A 21 20.804 9.117 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 21 22.377 10.133 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 21 19.843 10.784 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 21 19.092 10.876 -9.364 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.733 10.433 -9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.484 12.855 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 21 20.791 13.054 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.184 12.773 -8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 21 19.260 8.460 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 21 20.496 8.298 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.830 8.748 -8.105 1.00 0.00 H new ATOM 328 N LEU A 22 22.541 11.867 -5.416 1.00 0.00 N ATOM 329 CA LEU A 22 23.252 12.907 -4.676 1.00 0.00 C ATOM 330 C LEU A 22 24.771 12.658 -4.658 1.00 0.00 C ATOM 331 O LEU A 22 25.558 13.561 -4.930 1.00 0.00 O ATOM 332 CB LEU A 22 22.638 12.899 -3.264 1.00 0.00 C ATOM 333 CG LEU A 22 23.129 13.993 -2.311 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.530 15.345 -2.684 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.715 13.661 -0.880 1.00 0.00 C ATOM 0 H LEU A 22 21.830 11.398 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 22 23.139 13.884 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.556 12.987 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.840 11.930 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 22 24.215 14.043 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 22 22.893 16.107 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 22 22.826 15.606 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.443 15.290 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.068 14.444 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.629 13.595 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.153 12.707 -0.587 1.00 0.00 H new ATOM 347 N ARG A 23 25.190 11.416 -4.385 1.00 0.00 N ATOM 348 CA ARG A 23 26.610 11.019 -4.356 1.00 0.00 C ATOM 349 C ARG A 23 27.208 10.758 -5.746 1.00 0.00 C ATOM 350 O ARG A 23 28.358 11.132 -5.964 1.00 0.00 O ATOM 351 CB ARG A 23 26.800 9.852 -3.373 1.00 0.00 C ATOM 352 CG ARG A 23 26.457 10.195 -1.906 1.00 0.00 C ATOM 353 CD ARG A 23 27.435 11.157 -1.209 1.00 0.00 C ATOM 354 NE ARG A 23 27.226 12.583 -1.573 1.00 0.00 N ATOM 355 CZ ARG A 23 28.144 13.469 -1.925 1.00 0.00 C ATOM 356 NH1 ARG A 23 29.399 13.154 -2.039 1.00 0.00 N ATOM 357 NH2 ARG A 23 27.833 14.703 -2.202 1.00 0.00 N ATOM 0 H ARG A 23 24.550 10.649 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 23 27.188 11.867 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.177 9.017 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.835 9.515 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 23 25.459 10.633 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 23 26.415 9.268 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.332 11.047 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.456 10.871 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 23 26.263 12.918 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.704 12.198 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.080 13.863 -2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.861 15.008 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.561 15.365 -2.471 1.00 0.00 H new ATOM 371 N TYR A 24 26.438 10.247 -6.712 1.00 0.00 N ATOM 372 CA TYR A 24 26.868 10.158 -8.123 1.00 0.00 C ATOM 373 C TYR A 24 27.137 11.548 -8.733 1.00 0.00 C ATOM 374 O TYR A 24 28.126 11.754 -9.438 1.00 0.00 O ATOM 375 CB TYR A 24 25.784 9.419 -8.926 1.00 0.00 C ATOM 376 CG TYR A 24 26.045 9.335 -10.418 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.002 8.430 -10.915 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.332 10.163 -11.310 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.252 8.348 -12.299 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.570 10.075 -12.696 1.00 0.00 C ATOM 381 CZ TYR A 24 26.535 9.170 -13.195 1.00 0.00 C ATOM 382 OH TYR A 24 26.783 9.082 -14.533 1.00 0.00 O ATOM 0 H TYR A 24 25.500 9.883 -6.545 1.00 0.00 H new ATOM 0 HA TYR A 24 27.808 9.607 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.685 8.408 -8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.829 9.919 -8.766 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.547 7.795 -10.232 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.604 10.864 -10.931 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.992 7.657 -12.674 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.014 10.700 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 24 26.207 9.712 -15.015 1.00 0.00 H new ATOM 392 N THR A 25 26.284 12.522 -8.395 1.00 0.00 N ATOM 393 CA THR A 25 26.404 13.929 -8.823 1.00 0.00 C ATOM 394 C THR A 25 27.376 14.732 -7.939 1.00 0.00 C ATOM 395 O THR A 25 27.766 15.840 -8.295 1.00 0.00 O ATOM 396 CB THR A 25 25.007 14.579 -8.847 1.00 0.00 C ATOM 397 OG1 THR A 25 24.112 13.747 -9.551 1.00 0.00 O ATOM 398 CG2 THR A 25 24.937 15.913 -9.576 1.00 0.00 C ATOM 0 H THR A 25 25.471 12.354 -7.803 1.00 0.00 H new ATOM 0 HA THR A 25 26.826 13.941 -9.828 1.00 0.00 H new ATOM 0 HB THR A 25 24.760 14.727 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.799 13.030 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.916 16.294 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.607 16.626 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 25.238 15.776 -10.615 1.00 0.00 H new ATOM 406 N ASN A 26 27.786 14.174 -6.792 1.00 0.00 N ATOM 407 CA ASN A 26 28.577 14.837 -5.747 1.00 0.00 C ATOM 408 C ASN A 26 27.994 16.201 -5.307 1.00 0.00 C ATOM 409 O ASN A 26 28.719 17.174 -5.090 1.00 0.00 O ATOM 410 CB ASN A 26 30.075 14.850 -6.121 1.00 0.00 C ATOM 411 CG ASN A 26 30.987 15.140 -4.933 1.00 0.00 C ATOM 412 OD1 ASN A 26 30.607 15.041 -3.772 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.236 15.473 -5.175 1.00 0.00 N ATOM 0 H ASN A 26 27.566 13.206 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 26 28.502 14.241 -4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.344 13.885 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.244 15.601 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.877 15.646 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.564 15.558 -6.137 1.00 0.00 H new ATOM 420 N SER A 27 26.666 16.265 -5.197 1.00 0.00 N ATOM 421 CA SER A 27 25.899 17.475 -4.864 1.00 0.00 C ATOM 422 C SER A 27 25.400 17.477 -3.409 1.00 0.00 C ATOM 423 O SER A 27 25.559 16.495 -2.677 1.00 0.00 O ATOM 424 CB SER A 27 24.743 17.617 -5.864 1.00 0.00 C ATOM 425 OG SER A 27 23.993 16.414 -5.923 1.00 0.00 O ATOM 0 H SER A 27 26.071 15.449 -5.342 1.00 0.00 H new ATOM 0 HA SER A 27 26.558 18.339 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.096 18.443 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.135 17.858 -6.852 1.00 0.00 H new ATOM 0 HG SER A 27 23.258 16.518 -6.563 1.00 0.00 H new ATOM 431 N THR A 28 24.801 18.597 -2.986 1.00 0.00 N ATOM 432 CA THR A 28 24.053 18.716 -1.714 1.00 0.00 C ATOM 433 C THR A 28 22.540 18.790 -1.970 1.00 0.00 C ATOM 434 O THR A 28 22.102 19.138 -3.063 1.00 0.00 O ATOM 435 CB THR A 28 24.600 19.847 -0.824 1.00 0.00 C ATOM 436 OG1 THR A 28 23.923 19.821 0.412 1.00 0.00 O ATOM 437 CG2 THR A 28 24.451 21.253 -1.407 1.00 0.00 C ATOM 0 H THR A 28 24.819 19.464 -3.522 1.00 0.00 H new ATOM 0 HA THR A 28 24.214 17.807 -1.134 1.00 0.00 H new ATOM 0 HB THR A 28 25.669 19.656 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.265 20.537 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.864 21.982 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 28 24.987 21.313 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.395 21.468 -1.573 1.00 0.00 H new ATOM 445 N GLU A 29 21.707 18.439 -0.989 1.00 0.00 N ATOM 446 CA GLU A 29 20.258 18.240 -1.197 1.00 0.00 C ATOM 447 C GLU A 29 19.505 19.529 -1.563 1.00 0.00 C ATOM 448 O GLU A 29 18.592 19.503 -2.385 1.00 0.00 O ATOM 449 CB GLU A 29 19.651 17.562 0.043 1.00 0.00 C ATOM 450 CG GLU A 29 20.224 16.147 0.246 1.00 0.00 C ATOM 451 CD GLU A 29 19.684 15.437 1.497 1.00 0.00 C ATOM 452 OE1 GLU A 29 18.763 15.951 2.173 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.152 14.322 1.823 1.00 0.00 O ATOM 0 H GLU A 29 22.009 18.283 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 29 20.140 17.589 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.852 18.168 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.568 17.506 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.995 15.542 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.310 16.211 0.315 1.00 0.00 H new ATOM 460 N GLN A 30 19.927 20.677 -1.024 1.00 0.00 N ATOM 461 CA GLN A 30 19.355 21.988 -1.387 1.00 0.00 C ATOM 462 C GLN A 30 19.712 22.372 -2.832 1.00 0.00 C ATOM 463 O GLN A 30 18.839 22.748 -3.612 1.00 0.00 O ATOM 464 CB GLN A 30 19.816 23.056 -0.381 1.00 0.00 C ATOM 465 CG GLN A 30 19.340 22.741 1.047 1.00 0.00 C ATOM 466 CD GLN A 30 19.806 23.786 2.054 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.922 23.739 2.551 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.005 24.779 2.378 1.00 0.00 N ATOM 0 H GLN A 30 20.670 20.730 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 30 18.268 21.922 -1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.904 23.122 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.433 24.030 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.252 22.686 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.713 21.761 1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.071 24.834 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.319 25.494 3.034 1.00 0.00 H new ATOM 477 N GLN A 31 20.973 22.159 -3.220 1.00 0.00 N ATOM 478 CA GLN A 31 21.454 22.315 -4.601 1.00 0.00 C ATOM 479 C GLN A 31 20.698 21.387 -5.571 1.00 0.00 C ATOM 480 O GLN A 31 20.314 21.817 -6.654 1.00 0.00 O ATOM 481 CB GLN A 31 22.963 22.018 -4.594 1.00 0.00 C ATOM 482 CG GLN A 31 23.673 22.161 -5.948 1.00 0.00 C ATOM 483 CD GLN A 31 25.072 21.541 -5.943 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.417 20.711 -5.112 1.00 0.00 O ATOM 485 NE2 GLN A 31 25.922 21.885 -6.885 1.00 0.00 N ATOM 0 H GLN A 31 21.705 21.867 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 31 21.270 23.330 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.443 22.686 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.113 21.001 -4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.071 21.686 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.748 23.217 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.654 22.575 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.850 21.462 -6.914 1.00 0.00 H new ATOM 494 N PHE A 32 20.431 20.136 -5.177 1.00 0.00 N ATOM 495 CA PHE A 32 19.654 19.187 -5.984 1.00 0.00 C ATOM 496 C PHE A 32 18.187 19.636 -6.137 1.00 0.00 C ATOM 497 O PHE A 32 17.659 19.598 -7.247 1.00 0.00 O ATOM 498 CB PHE A 32 19.799 17.781 -5.371 1.00 0.00 C ATOM 499 CG PHE A 32 19.090 16.626 -6.066 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.789 16.655 -7.445 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.744 15.487 -5.313 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.103 15.585 -8.046 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.056 14.416 -5.915 1.00 0.00 C ATOM 504 CZ PHE A 32 17.720 14.476 -7.277 1.00 0.00 C ATOM 0 H PHE A 32 20.749 19.752 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 32 20.047 19.157 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.862 17.543 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.439 17.825 -4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.087 17.504 -8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.008 15.435 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.871 15.617 -9.100 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.787 13.549 -5.330 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.167 13.668 -7.733 1.00 0.00 H new ATOM 514 N LEU A 33 17.544 20.148 -5.079 1.00 0.00 N ATOM 515 CA LEU A 33 16.194 20.730 -5.173 1.00 0.00 C ATOM 516 C LEU A 33 16.160 21.929 -6.133 1.00 0.00 C ATOM 517 O LEU A 33 15.305 21.987 -7.019 1.00 0.00 O ATOM 518 CB LEU A 33 15.687 21.053 -3.749 1.00 0.00 C ATOM 519 CG LEU A 33 14.250 21.596 -3.573 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.083 23.057 -3.994 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.202 20.750 -4.300 1.00 0.00 C ATOM 0 H LEU A 33 17.940 20.172 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 33 15.505 20.007 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.770 20.143 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.370 21.782 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 33 14.081 21.532 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.048 23.364 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.741 23.686 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.341 23.164 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.213 21.180 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.423 20.735 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.222 19.732 -3.911 1.00 0.00 H new ATOM 533 N GLU A 34 17.124 22.841 -6.027 1.00 0.00 N ATOM 534 CA GLU A 34 17.245 23.993 -6.939 1.00 0.00 C ATOM 535 C GLU A 34 17.528 23.576 -8.392 1.00 0.00 C ATOM 536 O GLU A 34 16.964 24.149 -9.323 1.00 0.00 O ATOM 537 CB GLU A 34 18.330 24.958 -6.435 1.00 0.00 C ATOM 538 CG GLU A 34 17.888 25.727 -5.184 1.00 0.00 C ATOM 539 CD GLU A 34 18.969 26.744 -4.762 1.00 0.00 C ATOM 540 OE1 GLU A 34 18.927 27.911 -5.232 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.863 26.395 -3.953 1.00 0.00 O ATOM 0 H GLU A 34 17.847 22.809 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 34 16.280 24.500 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.237 24.397 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.579 25.666 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.950 26.246 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.700 25.029 -4.369 1.00 0.00 H new ATOM 548 N ALA A 35 18.334 22.533 -8.597 1.00 0.00 N ATOM 549 CA ALA A 35 18.594 21.960 -9.920 1.00 0.00 C ATOM 550 C ALA A 35 17.337 21.334 -10.536 1.00 0.00 C ATOM 551 O ALA A 35 17.042 21.554 -11.710 1.00 0.00 O ATOM 552 CB ALA A 35 19.715 20.928 -9.786 1.00 0.00 C ATOM 0 H ALA A 35 18.830 22.057 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 35 18.898 22.757 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.924 20.489 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.614 21.414 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.407 20.144 -9.094 1.00 0.00 H new ATOM 558 N MET A 36 16.558 20.600 -9.741 1.00 0.00 N ATOM 559 CA MET A 36 15.273 20.035 -10.165 1.00 0.00 C ATOM 560 C MET A 36 14.260 21.138 -10.503 1.00 0.00 C ATOM 561 O MET A 36 13.643 21.081 -11.562 1.00 0.00 O ATOM 562 CB MET A 36 14.751 19.096 -9.066 1.00 0.00 C ATOM 563 CG MET A 36 15.578 17.803 -8.998 1.00 0.00 C ATOM 564 SD MET A 36 15.169 16.574 -10.264 1.00 0.00 S ATOM 565 CE MET A 36 13.649 15.908 -9.531 1.00 0.00 C ATOM 0 H MET A 36 16.802 20.378 -8.776 1.00 0.00 H new ATOM 0 HA MET A 36 15.417 19.460 -11.080 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.787 19.605 -8.103 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.706 18.852 -9.259 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.634 18.058 -9.087 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.441 17.352 -8.015 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.274 15.092 -10.149 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.861 15.536 -8.529 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.897 16.695 -9.474 1.00 0.00 H new ATOM 575 N GLU A 37 14.150 22.185 -9.683 1.00 0.00 N ATOM 576 CA GLU A 37 13.286 23.341 -9.973 1.00 0.00 C ATOM 577 C GLU A 37 13.709 24.069 -11.270 1.00 0.00 C ATOM 578 O GLU A 37 12.865 24.415 -12.101 1.00 0.00 O ATOM 579 CB GLU A 37 13.318 24.283 -8.755 1.00 0.00 C ATOM 580 CG GLU A 37 12.317 25.444 -8.823 1.00 0.00 C ATOM 581 CD GLU A 37 10.856 24.953 -8.727 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.346 24.776 -7.594 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.203 24.749 -9.780 1.00 0.00 O ATOM 0 H GLU A 37 14.655 22.260 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 37 12.266 22.997 -10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.119 23.700 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.323 24.692 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.518 26.144 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.456 25.989 -9.757 1.00 0.00 H new ATOM 590 N SER A 38 15.022 24.240 -11.484 1.00 0.00 N ATOM 591 CA SER A 38 15.584 24.868 -12.690 1.00 0.00 C ATOM 592 C SER A 38 15.378 24.033 -13.971 1.00 0.00 C ATOM 593 O SER A 38 15.181 24.592 -15.053 1.00 0.00 O ATOM 594 CB SER A 38 17.079 25.121 -12.459 1.00 0.00 C ATOM 595 OG SER A 38 17.638 25.879 -13.522 1.00 0.00 O ATOM 0 H SER A 38 15.733 23.942 -10.816 1.00 0.00 H new ATOM 0 HA SER A 38 15.049 25.804 -12.853 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.220 25.650 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.603 24.169 -12.372 1.00 0.00 H new ATOM 0 HG SER A 38 18.591 26.029 -13.351 1.00 0.00 H new ATOM 601 N THR A 39 15.368 22.696 -13.859 1.00 0.00 N ATOM 602 CA THR A 39 15.271 21.760 -15.005 1.00 0.00 C ATOM 603 C THR A 39 13.871 21.154 -15.206 1.00 0.00 C ATOM 604 O THR A 39 13.689 20.276 -16.053 1.00 0.00 O ATOM 605 CB THR A 39 16.346 20.663 -14.933 1.00 0.00 C ATOM 606 OG1 THR A 39 16.228 19.935 -13.733 1.00 0.00 O ATOM 607 CG2 THR A 39 17.764 21.233 -14.995 1.00 0.00 C ATOM 0 H THR A 39 15.428 22.221 -12.958 1.00 0.00 H new ATOM 0 HA THR A 39 15.457 22.370 -15.889 1.00 0.00 H new ATOM 0 HB THR A 39 16.183 20.019 -15.797 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.517 20.494 -12.982 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.486 20.418 -14.941 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.898 21.775 -15.931 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.920 21.913 -14.157 1.00 0.00 H new ATOM 615 N GLY A 40 12.862 21.615 -14.455 1.00 0.00 N ATOM 616 CA GLY A 40 11.465 21.177 -14.601 1.00 0.00 C ATOM 617 C GLY A 40 11.157 19.807 -13.977 1.00 0.00 C ATOM 618 O GLY A 40 10.168 19.167 -14.337 1.00 0.00 O ATOM 0 H GLY A 40 12.993 22.310 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.814 21.924 -14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.218 21.143 -15.662 1.00 0.00 H new ATOM 622 N GLY A 41 12.012 19.348 -13.058 1.00 0.00 N ATOM 623 CA GLY A 41 11.836 18.105 -12.296 1.00 0.00 C ATOM 624 C GLY A 41 12.376 16.838 -12.967 1.00 0.00 C ATOM 625 O GLY A 41 12.228 15.758 -12.404 1.00 0.00 O ATOM 0 H GLY A 41 12.870 19.844 -12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.326 18.220 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.773 17.967 -12.101 1.00 0.00 H new ATOM 629 N ARG A 42 13.019 16.944 -14.138 1.00 0.00 N ATOM 630 CA ARG A 42 13.656 15.804 -14.830 1.00 0.00 C ATOM 631 C ARG A 42 15.002 15.470 -14.186 1.00 0.00 C ATOM 632 O ARG A 42 15.988 16.161 -14.428 1.00 0.00 O ATOM 633 CB ARG A 42 13.818 16.138 -16.330 1.00 0.00 C ATOM 634 CG ARG A 42 12.533 15.934 -17.151 1.00 0.00 C ATOM 635 CD ARG A 42 12.303 14.446 -17.467 1.00 0.00 C ATOM 636 NE ARG A 42 11.067 14.247 -18.252 1.00 0.00 N ATOM 637 CZ ARG A 42 10.912 14.285 -19.566 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.899 14.532 -20.383 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.742 14.069 -20.096 1.00 0.00 N ATOM 0 H ARG A 42 13.115 17.827 -14.639 1.00 0.00 H new ATOM 0 HA ARG A 42 13.021 14.923 -14.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.142 17.174 -16.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.609 15.515 -16.749 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.680 16.327 -16.599 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.599 16.500 -18.080 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.155 14.054 -18.022 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.241 13.880 -16.537 1.00 0.00 H new ATOM 0 HE ARG A 42 10.224 14.055 -17.711 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.834 14.705 -20.015 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.735 14.552 -21.390 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.940 13.870 -19.498 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.628 14.099 -21.109 1.00 0.00 H new ATOM 653 N VAL A 43 15.071 14.359 -13.445 1.00 0.00 N ATOM 654 CA VAL A 43 16.289 13.937 -12.708 1.00 0.00 C ATOM 655 C VAL A 43 17.491 13.802 -13.641 1.00 0.00 C ATOM 656 O VAL A 43 18.562 14.310 -13.320 1.00 0.00 O ATOM 657 CB VAL A 43 16.037 12.625 -11.932 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.285 12.110 -11.202 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.960 12.828 -10.863 1.00 0.00 C ATOM 0 H VAL A 43 14.286 13.718 -13.333 1.00 0.00 H new ATOM 0 HA VAL A 43 16.524 14.718 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 43 15.731 11.900 -12.686 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.044 11.186 -10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.077 11.919 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.622 12.859 -10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.797 11.892 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.285 13.596 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.030 13.140 -11.338 1.00 0.00 H new ATOM 669 N ARG A 44 17.308 13.224 -14.839 1.00 0.00 N ATOM 670 CA ARG A 44 18.390 13.074 -15.833 1.00 0.00 C ATOM 671 C ARG A 44 18.991 14.411 -16.288 1.00 0.00 C ATOM 672 O ARG A 44 20.208 14.546 -16.367 1.00 0.00 O ATOM 673 CB ARG A 44 17.916 12.189 -17.005 1.00 0.00 C ATOM 674 CG ARG A 44 16.803 12.785 -17.895 1.00 0.00 C ATOM 675 CD ARG A 44 16.314 11.783 -18.951 1.00 0.00 C ATOM 676 NE ARG A 44 17.361 11.468 -19.948 1.00 0.00 N ATOM 677 CZ ARG A 44 17.329 10.501 -20.851 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.309 9.696 -20.969 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.326 10.328 -21.666 1.00 0.00 N ATOM 0 H ARG A 44 16.411 12.848 -15.148 1.00 0.00 H new ATOM 0 HA ARG A 44 19.219 12.563 -15.343 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.776 11.963 -17.635 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.561 11.242 -16.599 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.964 13.092 -17.270 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.176 13.681 -18.391 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.996 10.864 -18.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.441 12.191 -19.460 1.00 0.00 H new ATOM 0 HE ARG A 44 18.194 12.057 -19.938 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.502 9.801 -20.354 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.318 8.961 -21.677 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.141 10.940 -21.612 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.294 9.581 -22.359 1.00 0.00 H new ATOM 693 N ILE A 45 18.150 15.432 -16.487 1.00 0.00 N ATOM 694 CA ILE A 45 18.594 16.780 -16.898 1.00 0.00 C ATOM 695 C ILE A 45 19.262 17.495 -15.718 1.00 0.00 C ATOM 696 O ILE A 45 20.291 18.136 -15.895 1.00 0.00 O ATOM 697 CB ILE A 45 17.433 17.604 -17.518 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.770 16.833 -18.687 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.957 18.963 -18.030 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.605 17.562 -19.373 1.00 0.00 C ATOM 0 H ILE A 45 17.140 15.353 -16.369 1.00 0.00 H new ATOM 0 HA ILE A 45 19.339 16.677 -17.687 1.00 0.00 H new ATOM 0 HB ILE A 45 16.687 17.771 -16.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.532 16.614 -19.435 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.408 15.876 -18.311 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.133 19.531 -18.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.388 19.523 -17.200 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.720 18.796 -18.790 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.210 16.941 -20.176 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.818 17.757 -18.644 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.959 18.506 -19.786 1.00 0.00 H new ATOM 712 N ALA A 46 18.749 17.322 -14.496 1.00 0.00 N ATOM 713 CA ALA A 46 19.339 17.914 -13.290 1.00 0.00 C ATOM 714 C ALA A 46 20.768 17.396 -13.049 1.00 0.00 C ATOM 715 O ALA A 46 21.715 18.182 -12.961 1.00 0.00 O ATOM 716 CB ALA A 46 18.413 17.643 -12.096 1.00 0.00 C ATOM 0 H ALA A 46 17.912 16.767 -14.314 1.00 0.00 H new ATOM 0 HA ALA A 46 19.429 18.992 -13.422 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.844 18.080 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.436 18.089 -12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.300 16.567 -11.960 1.00 0.00 H new ATOM 722 N ILE A 47 20.954 16.070 -13.037 1.00 0.00 N ATOM 723 CA ILE A 47 22.284 15.473 -12.841 1.00 0.00 C ATOM 724 C ILE A 47 23.207 15.778 -14.028 1.00 0.00 C ATOM 725 O ILE A 47 24.376 16.082 -13.814 1.00 0.00 O ATOM 726 CB ILE A 47 22.217 13.969 -12.490 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.781 13.087 -13.676 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.329 13.762 -11.252 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.629 11.597 -13.347 1.00 0.00 C ATOM 0 H ILE A 47 20.203 15.391 -13.160 1.00 0.00 H new ATOM 0 HA ILE A 47 22.729 15.947 -11.966 1.00 0.00 H new ATOM 0 HB ILE A 47 23.229 13.640 -12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.830 13.459 -14.057 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.511 13.195 -14.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.285 12.700 -11.009 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.748 14.310 -10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.324 14.128 -11.460 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.320 11.057 -14.242 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.583 11.203 -12.996 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.876 11.471 -12.569 1.00 0.00 H new ATOM 741 N ALA A 48 22.693 15.818 -15.268 1.00 0.00 N ATOM 742 CA ALA A 48 23.466 16.238 -16.441 1.00 0.00 C ATOM 743 C ALA A 48 23.984 17.685 -16.333 1.00 0.00 C ATOM 744 O ALA A 48 25.180 17.920 -16.508 1.00 0.00 O ATOM 745 CB ALA A 48 22.584 16.056 -17.681 1.00 0.00 C ATOM 0 H ALA A 48 21.730 15.560 -15.482 1.00 0.00 H new ATOM 0 HA ALA A 48 24.358 15.616 -16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.137 16.362 -18.569 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.299 15.008 -17.774 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.688 16.668 -17.583 1.00 0.00 H new ATOM 751 N LYS A 49 23.114 18.645 -15.990 1.00 0.00 N ATOM 752 CA LYS A 49 23.479 20.069 -15.853 1.00 0.00 C ATOM 753 C LYS A 49 24.425 20.322 -14.671 1.00 0.00 C ATOM 754 O LYS A 49 25.254 21.228 -14.740 1.00 0.00 O ATOM 755 CB LYS A 49 22.202 20.920 -15.725 1.00 0.00 C ATOM 756 CG LYS A 49 21.361 20.995 -17.015 1.00 0.00 C ATOM 757 CD LYS A 49 21.974 21.809 -18.171 1.00 0.00 C ATOM 758 CE LYS A 49 22.126 23.300 -17.829 1.00 0.00 C ATOM 759 NZ LYS A 49 22.535 24.096 -19.022 1.00 0.00 N ATOM 0 H LYS A 49 22.130 18.458 -15.798 1.00 0.00 H new ATOM 0 HA LYS A 49 24.023 20.361 -16.751 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.585 20.511 -14.925 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.481 21.931 -15.427 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.180 19.980 -17.367 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.390 21.425 -16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.951 21.396 -18.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.346 21.705 -19.056 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.182 23.683 -17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.868 23.419 -17.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.628 25.097 -18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.448 23.745 -19.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.815 24.001 -19.766 1.00 0.00 H new ATOM 773 N LEU A 50 24.341 19.509 -13.611 1.00 0.00 N ATOM 774 CA LEU A 50 25.308 19.552 -12.503 1.00 0.00 C ATOM 775 C LEU A 50 26.662 18.912 -12.864 1.00 0.00 C ATOM 776 O LEU A 50 27.705 19.449 -12.493 1.00 0.00 O ATOM 777 CB LEU A 50 24.669 18.925 -11.248 1.00 0.00 C ATOM 778 CG LEU A 50 23.913 19.922 -10.344 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.996 20.898 -11.081 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.060 19.148 -9.338 1.00 0.00 C ATOM 0 H LEU A 50 23.609 18.808 -13.496 1.00 0.00 H new ATOM 0 HA LEU A 50 25.544 20.595 -12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.978 18.143 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.451 18.443 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 50 24.690 20.519 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.511 21.556 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.585 21.495 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.238 20.340 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.525 19.850 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.343 18.525 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.703 18.517 -8.725 1.00 0.00 H new ATOM 792 N LEU A 51 26.674 17.810 -13.622 1.00 0.00 N ATOM 793 CA LEU A 51 27.912 17.125 -14.024 1.00 0.00 C ATOM 794 C LEU A 51 28.676 17.849 -15.145 1.00 0.00 C ATOM 795 O LEU A 51 29.903 17.892 -15.093 1.00 0.00 O ATOM 796 CB LEU A 51 27.597 15.665 -14.405 1.00 0.00 C ATOM 797 CG LEU A 51 27.264 14.759 -13.198 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.716 13.421 -13.684 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.500 14.483 -12.336 1.00 0.00 C ATOM 0 H LEU A 51 25.826 17.366 -13.975 1.00 0.00 H new ATOM 0 HA LEU A 51 28.583 17.138 -13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.755 15.654 -15.097 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.452 15.246 -14.936 1.00 0.00 H new ATOM 0 HG LEU A 51 26.522 15.286 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.484 12.790 -12.826 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.810 13.589 -14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.462 12.927 -14.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.224 13.843 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.260 13.985 -12.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.897 15.425 -11.957 1.00 0.00 H new ATOM 811 N SER A 52 28.002 18.477 -16.113 1.00 0.00 N ATOM 812 CA SER A 52 28.659 19.142 -17.256 1.00 0.00 C ATOM 813 C SER A 52 29.558 20.330 -16.863 1.00 0.00 C ATOM 814 O SER A 52 30.532 20.626 -17.558 1.00 0.00 O ATOM 815 CB SER A 52 27.611 19.597 -18.277 1.00 0.00 C ATOM 816 OG SER A 52 26.769 20.597 -17.721 1.00 0.00 O ATOM 0 H SER A 52 26.984 18.542 -16.132 1.00 0.00 H new ATOM 0 HA SER A 52 29.319 18.394 -17.695 1.00 0.00 H new ATOM 0 HB2 SER A 52 28.107 19.986 -19.166 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.011 18.744 -18.594 1.00 0.00 H new ATOM 0 HG SER A 52 26.108 20.876 -18.388 1.00 0.00 H new ATOM 822 N LYS A 53 29.279 20.967 -15.715 1.00 0.00 N ATOM 823 CA LYS A 53 30.094 22.036 -15.099 1.00 0.00 C ATOM 824 C LYS A 53 31.149 21.527 -14.097 1.00 0.00 C ATOM 825 O LYS A 53 31.931 22.325 -13.578 1.00 0.00 O ATOM 826 CB LYS A 53 29.158 23.072 -14.441 1.00 0.00 C ATOM 827 CG LYS A 53 28.162 23.748 -15.402 1.00 0.00 C ATOM 828 CD LYS A 53 28.848 24.533 -16.532 1.00 0.00 C ATOM 829 CE LYS A 53 27.803 25.297 -17.356 1.00 0.00 C ATOM 830 NZ LYS A 53 28.433 26.086 -18.455 1.00 0.00 N ATOM 0 H LYS A 53 28.448 20.746 -15.166 1.00 0.00 H new ATOM 0 HA LYS A 53 30.669 22.500 -15.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.597 22.580 -13.646 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.767 23.844 -13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.515 22.987 -15.838 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.522 24.424 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.572 25.231 -16.112 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.401 23.849 -17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.087 24.592 -17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.243 25.966 -16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.695 26.588 -18.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.097 26.776 -18.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.946 25.445 -19.093 1.00 0.00 H new ATOM 844 N GLN A 54 31.165 20.220 -13.810 1.00 0.00 N ATOM 845 CA GLN A 54 31.957 19.604 -12.731 1.00 0.00 C ATOM 846 C GLN A 54 32.941 18.518 -13.207 1.00 0.00 C ATOM 847 O GLN A 54 33.984 18.316 -12.588 1.00 0.00 O ATOM 848 CB GLN A 54 30.964 19.080 -11.680 1.00 0.00 C ATOM 849 CG GLN A 54 31.597 18.663 -10.345 1.00 0.00 C ATOM 850 CD GLN A 54 30.518 18.179 -9.380 1.00 0.00 C ATOM 851 OE1 GLN A 54 29.985 18.924 -8.568 1.00 0.00 O ATOM 852 NE2 GLN A 54 30.125 16.924 -9.461 1.00 0.00 N ATOM 0 H GLN A 54 30.614 19.541 -14.334 1.00 0.00 H new ATOM 0 HA GLN A 54 32.613 20.360 -12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 54 30.220 19.853 -11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 54 30.434 18.224 -12.097 1.00 0.00 H new ATOM 0 HG2 GLN A 54 32.328 17.872 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 54 32.134 19.506 -9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 54 30.563 16.295 -10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 54 29.383 16.581 -8.850 1.00 0.00 H new ATOM 861 N THR A 55 32.662 17.875 -14.340 1.00 0.00 N ATOM 862 CA THR A 55 33.528 16.897 -15.033 1.00 0.00 C ATOM 863 C THR A 55 34.950 17.420 -15.324 1.00 0.00 C ATOM 864 O THR A 55 35.920 16.658 -15.300 1.00 0.00 O ATOM 865 CB THR A 55 32.822 16.467 -16.333 1.00 0.00 C ATOM 866 OG1 THR A 55 33.563 15.471 -17.007 1.00 0.00 O ATOM 867 CG2 THR A 55 32.591 17.642 -17.294 1.00 0.00 C ATOM 0 H THR A 55 31.781 18.024 -14.833 1.00 0.00 H new ATOM 0 HA THR A 55 33.672 16.046 -14.368 1.00 0.00 H new ATOM 0 HB THR A 55 31.852 16.072 -16.031 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.094 15.214 -17.828 1.00 0.00 H new ATOM 0 HG21 THR A 55 32.091 17.283 -18.194 1.00 0.00 H new ATOM 0 HG22 THR A 55 31.969 18.393 -16.807 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.550 18.085 -17.564 1.00 0.00 H new ATOM 875 N SER A 56 35.099 18.736 -15.514 1.00 0.00 N ATOM 876 CA SER A 56 36.378 19.442 -15.720 1.00 0.00 C ATOM 877 C SER A 56 37.185 19.695 -14.432 1.00 0.00 C ATOM 878 O SER A 56 38.309 20.200 -14.492 1.00 0.00 O ATOM 879 CB SER A 56 36.065 20.797 -16.363 1.00 0.00 C ATOM 880 OG SER A 56 35.208 21.540 -15.500 1.00 0.00 O ATOM 0 H SER A 56 34.300 19.369 -15.530 1.00 0.00 H new ATOM 0 HA SER A 56 36.996 18.799 -16.347 1.00 0.00 H new ATOM 0 HB2 SER A 56 36.987 21.349 -16.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 35.587 20.651 -17.332 1.00 0.00 H new ATOM 0 HG SER A 56 35.007 22.408 -15.907 1.00 0.00 H new ATOM 886 N GLY A 57 36.611 19.381 -13.264 1.00 0.00 N ATOM 887 CA GLY A 57 37.117 19.763 -11.942 1.00 0.00 C ATOM 888 C GLY A 57 36.598 21.130 -11.458 1.00 0.00 C ATOM 889 O GLY A 57 36.831 21.494 -10.303 1.00 0.00 O ATOM 0 H GLY A 57 35.751 18.835 -13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 57 36.834 18.999 -11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.206 19.786 -11.971 1.00 0.00 H new ATOM 893 N GLY A 58 35.867 21.871 -12.304 1.00 0.00 N ATOM 894 CA GLY A 58 35.263 23.168 -11.974 1.00 0.00 C ATOM 895 C GLY A 58 36.279 24.294 -11.731 1.00 0.00 C ATOM 896 O GLY A 58 37.429 24.236 -12.181 1.00 0.00 O ATOM 0 H GLY A 58 35.675 21.576 -13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 58 34.598 23.463 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 58 34.646 23.052 -11.083 1.00 0.00 H new ATOM 900 N SER A 59 35.841 25.333 -11.014 1.00 0.00 N ATOM 901 CA SER A 59 36.645 26.504 -10.620 1.00 0.00 C ATOM 902 C SER A 59 36.242 27.047 -9.238 1.00 0.00 C ATOM 903 O SER A 59 35.144 26.772 -8.738 1.00 0.00 O ATOM 904 CB SER A 59 36.553 27.605 -11.689 1.00 0.00 C ATOM 905 OG SER A 59 35.217 28.070 -11.852 1.00 0.00 O ATOM 0 H SER A 59 34.880 25.388 -10.677 1.00 0.00 H new ATOM 0 HA SER A 59 37.682 26.176 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 37.197 28.439 -11.409 1.00 0.00 H new ATOM 0 HB3 SER A 59 36.923 27.221 -12.640 1.00 0.00 H new ATOM 0 HG SER A 59 35.196 28.770 -12.537 1.00 0.00 H new ATOM 911 N GLY A 60 37.132 27.820 -8.602 1.00 0.00 N ATOM 912 CA GLY A 60 36.938 28.358 -7.247 1.00 0.00 C ATOM 913 C GLY A 60 37.021 27.293 -6.140 1.00 0.00 C ATOM 914 O GLY A 60 37.583 26.209 -6.335 1.00 0.00 O ATOM 0 H GLY A 60 38.021 28.094 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 60 37.690 29.124 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 60 35.965 28.847 -7.196 1.00 0.00 H new ATOM 918 N GLY A 61 36.474 27.610 -4.961 1.00 0.00 N ATOM 919 CA GLY A 61 36.442 26.716 -3.793 1.00 0.00 C ATOM 920 C GLY A 61 35.497 25.515 -3.956 1.00 0.00 C ATOM 921 O GLY A 61 34.533 25.551 -4.730 1.00 0.00 O ATOM 0 H GLY A 61 36.032 28.512 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.450 26.349 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 61 36.138 27.289 -2.917 1.00 0.00 H new ATOM 925 N SER A 62 35.758 24.445 -3.198 1.00 0.00 N ATOM 926 CA SER A 62 34.999 23.179 -3.233 1.00 0.00 C ATOM 927 C SER A 62 33.693 23.186 -2.416 1.00 0.00 C ATOM 928 O SER A 62 32.851 22.297 -2.587 1.00 0.00 O ATOM 929 CB SER A 62 35.904 22.032 -2.769 1.00 0.00 C ATOM 930 OG SER A 62 36.390 22.280 -1.455 1.00 0.00 O ATOM 0 H SER A 62 36.523 24.430 -2.523 1.00 0.00 H new ATOM 0 HA SER A 62 34.689 23.041 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 35.350 21.094 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 62 36.741 21.921 -3.458 1.00 0.00 H new ATOM 0 HG SER A 62 36.965 21.538 -1.173 1.00 0.00 H new ATOM 936 N LYS A 63 33.496 24.185 -1.541 1.00 0.00 N ATOM 937 CA LYS A 63 32.299 24.344 -0.693 1.00 0.00 C ATOM 938 C LYS A 63 31.038 24.592 -1.539 1.00 0.00 C ATOM 939 O LYS A 63 31.045 25.428 -2.445 1.00 0.00 O ATOM 940 CB LYS A 63 32.573 25.455 0.341 1.00 0.00 C ATOM 941 CG LYS A 63 31.462 25.665 1.387 1.00 0.00 C ATOM 942 CD LYS A 63 30.494 26.806 1.022 1.00 0.00 C ATOM 943 CE LYS A 63 29.347 26.965 2.035 1.00 0.00 C ATOM 944 NZ LYS A 63 29.807 27.474 3.360 1.00 0.00 N ATOM 0 H LYS A 63 34.182 24.926 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 63 32.097 23.420 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.502 25.223 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.732 26.393 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.897 24.740 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.918 25.879 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.050 27.742 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.075 26.618 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.602 27.649 1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.855 26.002 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.992 27.561 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.497 26.811 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.252 28.406 3.238 1.00 0.00 H new ATOM 958 N LEU A 64 29.951 23.883 -1.224 1.00 0.00 N ATOM 959 CA LEU A 64 28.663 23.952 -1.935 1.00 0.00 C ATOM 960 C LEU A 64 27.690 24.945 -1.275 1.00 0.00 C ATOM 961 O LEU A 64 27.701 25.118 -0.053 1.00 0.00 O ATOM 962 CB LEU A 64 28.043 22.540 -2.031 1.00 0.00 C ATOM 963 CG LEU A 64 28.893 21.486 -2.771 1.00 0.00 C ATOM 964 CD1 LEU A 64 28.178 20.135 -2.731 1.00 0.00 C ATOM 965 CD2 LEU A 64 29.132 21.856 -4.235 1.00 0.00 C ATOM 0 H LEU A 64 29.938 23.225 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 64 28.851 24.326 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.848 22.179 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.079 22.620 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 64 29.858 21.440 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.778 19.390 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.039 19.827 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 27.206 20.223 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 64 29.735 21.083 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 64 28.175 21.939 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 64 29.657 22.810 -4.288 1.00 0.00 H new ATOM 977 N GLY A 65 26.832 25.583 -2.076 1.00 0.00 N ATOM 978 CA GLY A 65 25.810 26.526 -1.599 1.00 0.00 C ATOM 979 C GLY A 65 24.673 25.843 -0.825 1.00 0.00 C ATOM 980 O GLY A 65 24.169 24.795 -1.240 1.00 0.00 O ATOM 0 H GLY A 65 26.826 25.459 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 65 26.282 27.270 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 65 25.391 27.060 -2.452 1.00 0.00 H new ATOM 984 N GLY A 66 24.259 26.445 0.293 1.00 0.00 N ATOM 985 CA GLY A 66 23.194 25.935 1.165 1.00 0.00 C ATOM 986 C GLY A 66 23.195 26.547 2.574 1.00 0.00 C ATOM 987 O GLY A 66 23.971 27.457 2.879 1.00 0.00 O ATOM 0 H GLY A 66 24.663 27.320 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.230 26.130 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 66 23.294 24.853 1.250 1.00 0.00 H new ATOM 991 N SER A 67 22.321 26.020 3.432 1.00 0.00 N ATOM 992 CA SER A 67 22.126 26.407 4.841 1.00 0.00 C ATOM 993 C SER A 67 21.987 25.213 5.810 1.00 0.00 C ATOM 994 O SER A 67 21.984 25.408 7.029 1.00 0.00 O ATOM 995 CB SER A 67 20.908 27.332 4.956 1.00 0.00 C ATOM 996 OG SER A 67 19.733 26.691 4.475 1.00 0.00 O ATOM 0 H SER A 67 21.691 25.268 3.152 1.00 0.00 H new ATOM 0 HA SER A 67 23.033 26.929 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.767 27.625 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.086 28.246 4.389 1.00 0.00 H new ATOM 0 HG SER A 67 18.970 27.300 4.560 1.00 0.00 H new ATOM 1002 N GLY A 68 21.912 23.975 5.303 1.00 0.00 N ATOM 1003 CA GLY A 68 21.857 22.748 6.108 1.00 0.00 C ATOM 1004 C GLY A 68 20.439 22.380 6.564 1.00 0.00 C ATOM 1005 O GLY A 68 19.557 22.133 5.735 1.00 0.00 O ATOM 0 H GLY A 68 21.887 23.795 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 68 22.269 21.923 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 68 22.493 22.869 6.985 1.00 0.00 H new ATOM 1009 N GLY A 69 20.229 22.300 7.883 1.00 0.00 N ATOM 1010 CA GLY A 69 18.977 21.845 8.507 1.00 0.00 C ATOM 1011 C GLY A 69 18.814 20.320 8.536 1.00 0.00 C ATOM 1012 O GLY A 69 19.573 19.578 7.905 1.00 0.00 O ATOM 0 H GLY A 69 20.943 22.556 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.933 22.225 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.135 22.280 7.968 1.00 0.00 H new ATOM 1016 N SER A 70 17.813 19.841 9.281 1.00 0.00 N ATOM 1017 CA SER A 70 17.597 18.408 9.560 1.00 0.00 C ATOM 1018 C SER A 70 16.849 17.651 8.451 1.00 0.00 C ATOM 1019 O SER A 70 17.035 16.441 8.310 1.00 0.00 O ATOM 1020 CB SER A 70 16.856 18.264 10.894 1.00 0.00 C ATOM 1021 OG SER A 70 15.573 18.867 10.810 1.00 0.00 O ATOM 0 H SER A 70 17.115 20.444 9.717 1.00 0.00 H new ATOM 0 HA SER A 70 18.584 17.947 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.754 17.209 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.434 18.731 11.692 1.00 0.00 H new ATOM 0 HG SER A 70 15.108 18.768 11.667 1.00 0.00 H new ATOM 1027 N ARG A 71 16.036 18.355 7.641 1.00 0.00 N ATOM 1028 CA ARG A 71 15.332 17.841 6.439 1.00 0.00 C ATOM 1029 C ARG A 71 14.419 16.623 6.702 1.00 0.00 C ATOM 1030 O ARG A 71 14.300 15.723 5.871 1.00 0.00 O ATOM 1031 CB ARG A 71 16.358 17.643 5.301 1.00 0.00 C ATOM 1032 CG ARG A 71 16.934 18.981 4.792 1.00 0.00 C ATOM 1033 CD ARG A 71 18.318 18.802 4.159 1.00 0.00 C ATOM 1034 NE ARG A 71 19.322 18.524 5.206 1.00 0.00 N ATOM 1035 CZ ARG A 71 20.012 17.420 5.425 1.00 0.00 C ATOM 1036 NH1 ARG A 71 19.981 16.389 4.632 1.00 0.00 N ATOM 1037 NH2 ARG A 71 20.752 17.350 6.491 1.00 0.00 N ATOM 0 H ARG A 71 15.840 19.342 7.809 1.00 0.00 H new ATOM 0 HA ARG A 71 14.611 18.593 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.172 17.011 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.882 17.117 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.253 19.415 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.002 19.686 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.295 17.983 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.594 19.702 3.609 1.00 0.00 H new ATOM 0 HE ARG A 71 19.508 19.293 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.403 16.409 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.535 15.561 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.791 18.138 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 21.294 16.507 6.681 1.00 0.00 H new ATOM 1051 N LYS A 72 13.761 16.602 7.871 1.00 0.00 N ATOM 1052 CA LYS A 72 12.860 15.519 8.337 1.00 0.00 C ATOM 1053 C LYS A 72 11.368 15.750 8.025 1.00 0.00 C ATOM 1054 O LYS A 72 10.529 14.933 8.398 1.00 0.00 O ATOM 1055 CB LYS A 72 13.068 15.274 9.847 1.00 0.00 C ATOM 1056 CG LYS A 72 14.511 14.974 10.282 1.00 0.00 C ATOM 1057 CD LYS A 72 15.132 13.749 9.590 1.00 0.00 C ATOM 1058 CE LYS A 72 16.535 13.489 10.158 1.00 0.00 C ATOM 1059 NZ LYS A 72 17.163 12.277 9.559 1.00 0.00 N ATOM 0 H LYS A 72 13.840 17.362 8.547 1.00 0.00 H new ATOM 0 HA LYS A 72 13.138 14.631 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.720 16.153 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.436 14.440 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.130 15.847 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.529 14.817 11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.500 12.874 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.190 13.917 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.169 14.356 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.472 13.368 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.108 12.137 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.572 11.445 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.247 12.402 8.530 1.00 0.00 H new ATOM 1073 N ASP A 73 11.025 16.842 7.341 1.00 0.00 N ATOM 1074 CA ASP A 73 9.651 17.346 7.146 1.00 0.00 C ATOM 1075 C ASP A 73 8.822 16.595 6.068 1.00 0.00 C ATOM 1076 O ASP A 73 8.023 17.193 5.343 1.00 0.00 O ATOM 1077 CB ASP A 73 9.704 18.866 6.921 1.00 0.00 C ATOM 1078 CG ASP A 73 10.357 19.586 8.113 1.00 0.00 C ATOM 1079 OD1 ASP A 73 9.642 19.905 9.094 1.00 0.00 O ATOM 1080 OD2 ASP A 73 11.589 19.822 8.075 1.00 0.00 O ATOM 0 H ASP A 73 11.722 17.430 6.885 1.00 0.00 H new ATOM 0 HA ASP A 73 9.095 17.135 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.265 19.082 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.695 19.249 6.771 1.00 0.00 H new ATOM 1085 N LEU A 74 9.005 15.274 5.958 1.00 0.00 N ATOM 1086 CA LEU A 74 8.277 14.403 5.028 1.00 0.00 C ATOM 1087 C LEU A 74 6.781 14.318 5.397 1.00 0.00 C ATOM 1088 O LEU A 74 6.419 14.257 6.576 1.00 0.00 O ATOM 1089 CB LEU A 74 8.912 12.992 4.994 1.00 0.00 C ATOM 1090 CG LEU A 74 10.278 12.810 4.297 1.00 0.00 C ATOM 1091 CD1 LEU A 74 10.251 13.280 2.842 1.00 0.00 C ATOM 1092 CD2 LEU A 74 11.434 13.514 5.006 1.00 0.00 C ATOM 0 H LEU A 74 9.682 14.768 6.529 1.00 0.00 H new ATOM 0 HA LEU A 74 8.351 14.840 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.019 12.653 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.202 12.322 4.510 1.00 0.00 H new ATOM 0 HG LEU A 74 10.455 11.735 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.233 13.132 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.509 12.705 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.991 14.338 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.359 13.339 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.235 14.585 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.534 13.121 6.018 1.00 0.00 H new ATOM 1104 N SER A 75 5.909 14.274 4.382 1.00 0.00 N ATOM 1105 CA SER A 75 4.450 14.191 4.558 1.00 0.00 C ATOM 1106 C SER A 75 3.954 12.746 4.710 1.00 0.00 C ATOM 1107 O SER A 75 4.447 11.832 4.045 1.00 0.00 O ATOM 1108 CB SER A 75 3.732 14.885 3.394 1.00 0.00 C ATOM 1109 OG SER A 75 2.327 14.747 3.539 1.00 0.00 O ATOM 0 H SER A 75 6.198 14.295 3.404 1.00 0.00 H new ATOM 0 HA SER A 75 4.211 14.707 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.001 15.941 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.053 14.450 2.447 1.00 0.00 H new ATOM 0 HG SER A 75 1.876 15.194 2.793 1.00 0.00 H new ATOM 1115 N VAL A 76 2.901 12.554 5.514 1.00 0.00 N ATOM 1116 CA VAL A 76 2.154 11.284 5.636 1.00 0.00 C ATOM 1117 C VAL A 76 1.505 10.845 4.309 1.00 0.00 C ATOM 1118 O VAL A 76 1.244 9.657 4.109 1.00 0.00 O ATOM 1119 CB VAL A 76 1.121 11.400 6.781 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -0.056 12.326 6.443 1.00 0.00 C ATOM 1121 CG2 VAL A 76 0.571 10.040 7.226 1.00 0.00 C ATOM 0 H VAL A 76 2.532 13.291 6.114 1.00 0.00 H new ATOM 0 HA VAL A 76 2.864 10.495 5.883 1.00 0.00 H new ATOM 0 HB VAL A 76 1.683 11.841 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.744 12.363 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.318 13.328 6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.579 11.944 5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.149 10.185 8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.080 9.553 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.390 9.414 7.580 1.00 0.00 H new ATOM 1131 N LYS A 77 1.295 11.784 3.369 1.00 0.00 N ATOM 1132 CA LYS A 77 0.761 11.524 2.017 1.00 0.00 C ATOM 1133 C LYS A 77 1.798 10.946 1.034 1.00 0.00 C ATOM 1134 O LYS A 77 1.430 10.575 -0.080 1.00 0.00 O ATOM 1135 CB LYS A 77 0.127 12.815 1.456 1.00 0.00 C ATOM 1136 CG LYS A 77 -0.994 13.426 2.318 1.00 0.00 C ATOM 1137 CD LYS A 77 -2.200 12.493 2.506 1.00 0.00 C ATOM 1138 CE LYS A 77 -3.322 13.226 3.257 1.00 0.00 C ATOM 1139 NZ LYS A 77 -4.526 12.364 3.427 1.00 0.00 N ATOM 0 H LYS A 77 1.497 12.771 3.531 1.00 0.00 H new ATOM 0 HA LYS A 77 0.002 10.749 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.912 13.560 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.274 12.602 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.589 13.685 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.331 14.354 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.562 12.154 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.899 11.605 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.959 13.542 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.595 14.129 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.262 12.892 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.887 12.083 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.271 11.514 3.969 1.00 0.00 H new ATOM 1153 N GLY A 78 3.078 10.861 1.417 1.00 0.00 N ATOM 1154 CA GLY A 78 4.144 10.269 0.594 1.00 0.00 C ATOM 1155 C GLY A 78 3.909 8.776 0.314 1.00 0.00 C ATOM 1156 O GLY A 78 3.694 7.992 1.242 1.00 0.00 O ATOM 0 H GLY A 78 3.408 11.205 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.210 10.807 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.101 10.395 1.100 1.00 0.00 H new ATOM 1160 N MET A 79 3.930 8.387 -0.967 1.00 0.00 N ATOM 1161 CA MET A 79 3.580 7.036 -1.439 1.00 0.00 C ATOM 1162 C MET A 79 4.285 6.663 -2.756 1.00 0.00 C ATOM 1163 O MET A 79 4.884 7.520 -3.414 1.00 0.00 O ATOM 1164 CB MET A 79 2.046 6.928 -1.580 1.00 0.00 C ATOM 1165 CG MET A 79 1.448 7.856 -2.647 1.00 0.00 C ATOM 1166 SD MET A 79 -0.353 7.700 -2.825 1.00 0.00 S ATOM 1167 CE MET A 79 -0.625 8.916 -4.144 1.00 0.00 C ATOM 0 H MET A 79 4.197 9.016 -1.724 1.00 0.00 H new ATOM 0 HA MET A 79 3.933 6.320 -0.697 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.786 5.898 -1.823 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.587 7.155 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.691 8.888 -2.395 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.919 7.642 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.687 8.957 -4.388 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.291 9.898 -3.808 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.061 8.624 -5.030 1.00 0.00 H new ATOM 1177 N LEU A 80 4.178 5.393 -3.163 1.00 0.00 N ATOM 1178 CA LEU A 80 4.690 4.898 -4.447 1.00 0.00 C ATOM 1179 C LEU A 80 4.017 5.613 -5.635 1.00 0.00 C ATOM 1180 O LEU A 80 2.792 5.728 -5.687 1.00 0.00 O ATOM 1181 CB LEU A 80 4.494 3.369 -4.504 1.00 0.00 C ATOM 1182 CG LEU A 80 4.928 2.694 -5.823 1.00 0.00 C ATOM 1183 CD1 LEU A 80 6.424 2.837 -6.105 1.00 0.00 C ATOM 1184 CD2 LEU A 80 4.596 1.202 -5.766 1.00 0.00 C ATOM 0 H LEU A 80 3.727 4.670 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 80 5.754 5.120 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.052 2.917 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.441 3.148 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 80 4.385 3.197 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.666 2.342 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.682 3.894 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.992 2.377 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.902 0.725 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.126 0.743 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.522 1.073 -5.628 1.00 0.00 H new ATOM 1196 N TYR A 81 4.825 6.041 -6.609 1.00 0.00 N ATOM 1197 CA TYR A 81 4.381 6.643 -7.871 1.00 0.00 C ATOM 1198 C TYR A 81 5.119 6.041 -9.082 1.00 0.00 C ATOM 1199 O TYR A 81 6.261 5.596 -8.961 1.00 0.00 O ATOM 1200 CB TYR A 81 4.540 8.171 -7.796 1.00 0.00 C ATOM 1201 CG TYR A 81 3.802 8.902 -8.899 1.00 0.00 C ATOM 1202 CD1 TYR A 81 2.405 9.061 -8.810 1.00 0.00 C ATOM 1203 CD2 TYR A 81 4.497 9.389 -10.024 1.00 0.00 C ATOM 1204 CE1 TYR A 81 1.699 9.708 -9.842 1.00 0.00 C ATOM 1205 CE2 TYR A 81 3.789 10.030 -11.060 1.00 0.00 C ATOM 1206 CZ TYR A 81 2.391 10.197 -10.971 1.00 0.00 C ATOM 1207 OH TYR A 81 1.720 10.831 -11.974 1.00 0.00 O ATOM 0 H TYR A 81 5.841 5.976 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 81 3.326 6.414 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.176 8.521 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.599 8.423 -7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.874 8.686 -7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 81 5.568 9.271 -10.092 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.628 9.830 -9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 81 4.319 10.395 -11.927 1.00 0.00 H new ATOM 0 HH TYR A 81 2.353 11.102 -12.671 1.00 0.00 H new ATOM 1217 N ASP A 82 4.463 6.006 -10.249 1.00 0.00 N ATOM 1218 CA ASP A 82 4.950 5.268 -11.426 1.00 0.00 C ATOM 1219 C ASP A 82 6.148 5.934 -12.136 1.00 0.00 C ATOM 1220 O ASP A 82 7.094 5.241 -12.521 1.00 0.00 O ATOM 1221 CB ASP A 82 3.785 5.062 -12.400 1.00 0.00 C ATOM 1222 CG ASP A 82 4.184 4.159 -13.579 1.00 0.00 C ATOM 1223 OD1 ASP A 82 4.349 2.932 -13.372 1.00 0.00 O ATOM 1224 OD2 ASP A 82 4.315 4.662 -14.721 1.00 0.00 O ATOM 0 H ASP A 82 3.578 6.489 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 82 5.328 4.309 -11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.942 4.618 -11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.451 6.028 -12.778 1.00 0.00 H new ATOM 1229 N SER A 83 6.132 7.265 -12.286 1.00 0.00 N ATOM 1230 CA SER A 83 7.203 8.022 -12.955 1.00 0.00 C ATOM 1231 C SER A 83 8.303 8.423 -11.969 1.00 0.00 C ATOM 1232 O SER A 83 8.054 9.172 -11.021 1.00 0.00 O ATOM 1233 CB SER A 83 6.654 9.258 -13.682 1.00 0.00 C ATOM 1234 OG SER A 83 5.650 8.891 -14.619 1.00 0.00 O ATOM 0 H SER A 83 5.371 7.852 -11.945 1.00 0.00 H new ATOM 0 HA SER A 83 7.641 7.361 -13.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.241 9.958 -12.956 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.466 9.773 -14.196 1.00 0.00 H new ATOM 0 HG SER A 83 5.313 9.694 -15.069 1.00 0.00 H new ATOM 1240 N ASP A 84 9.538 7.971 -12.200 1.00 0.00 N ATOM 1241 CA ASP A 84 10.643 8.129 -11.247 1.00 0.00 C ATOM 1242 C ASP A 84 11.041 9.596 -11.019 1.00 0.00 C ATOM 1243 O ASP A 84 11.260 9.989 -9.875 1.00 0.00 O ATOM 1244 CB ASP A 84 11.840 7.258 -11.665 1.00 0.00 C ATOM 1245 CG ASP A 84 12.562 7.763 -12.927 1.00 0.00 C ATOM 1246 OD1 ASP A 84 12.013 7.603 -14.043 1.00 0.00 O ATOM 1247 OD2 ASP A 84 13.681 8.317 -12.803 1.00 0.00 O ATOM 0 H ASP A 84 9.802 7.483 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 84 10.287 7.777 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.553 7.216 -10.841 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.494 6.239 -11.839 1.00 0.00 H new ATOM 1252 N SER A 85 11.027 10.444 -12.055 1.00 0.00 N ATOM 1253 CA SER A 85 11.306 11.880 -11.888 1.00 0.00 C ATOM 1254 C SER A 85 10.262 12.574 -11.004 1.00 0.00 C ATOM 1255 O SER A 85 10.628 13.375 -10.147 1.00 0.00 O ATOM 1256 CB SER A 85 11.436 12.585 -13.247 1.00 0.00 C ATOM 1257 OG SER A 85 12.754 12.422 -13.753 1.00 0.00 O ATOM 0 H SER A 85 10.826 10.164 -13.015 1.00 0.00 H new ATOM 0 HA SER A 85 12.264 11.958 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.713 12.172 -13.951 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.207 13.645 -13.140 1.00 0.00 H new ATOM 0 HG SER A 85 12.788 12.730 -14.683 1.00 0.00 H new ATOM 1263 N GLN A 86 8.977 12.208 -11.123 1.00 0.00 N ATOM 1264 CA GLN A 86 7.915 12.742 -10.251 1.00 0.00 C ATOM 1265 C GLN A 86 8.009 12.197 -8.816 1.00 0.00 C ATOM 1266 O GLN A 86 7.865 12.964 -7.867 1.00 0.00 O ATOM 1267 CB GLN A 86 6.531 12.453 -10.861 1.00 0.00 C ATOM 1268 CG GLN A 86 6.251 13.204 -12.177 1.00 0.00 C ATOM 1269 CD GLN A 86 6.095 14.724 -12.033 1.00 0.00 C ATOM 1270 OE1 GLN A 86 6.097 15.301 -10.953 1.00 0.00 O ATOM 1271 NE2 GLN A 86 5.948 15.440 -13.130 1.00 0.00 N ATOM 0 H GLN A 86 8.645 11.540 -11.819 1.00 0.00 H new ATOM 0 HA GLN A 86 8.055 13.821 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.442 11.382 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.763 12.718 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.064 13.001 -12.874 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.341 12.801 -12.622 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.943 14.982 -14.041 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.839 16.452 -13.068 1.00 0.00 H new ATOM 1280 N GLN A 87 8.325 10.907 -8.638 1.00 0.00 N ATOM 1281 CA GLN A 87 8.564 10.300 -7.316 1.00 0.00 C ATOM 1282 C GLN A 87 9.720 11.003 -6.576 1.00 0.00 C ATOM 1283 O GLN A 87 9.572 11.411 -5.419 1.00 0.00 O ATOM 1284 CB GLN A 87 8.854 8.796 -7.526 1.00 0.00 C ATOM 1285 CG GLN A 87 9.177 7.979 -6.260 1.00 0.00 C ATOM 1286 CD GLN A 87 7.946 7.534 -5.477 1.00 0.00 C ATOM 1287 OE1 GLN A 87 7.538 6.386 -5.540 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.320 8.393 -4.700 1.00 0.00 N ATOM 0 H GLN A 87 8.423 10.249 -9.411 1.00 0.00 H new ATOM 0 HA GLN A 87 7.682 10.420 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.989 8.346 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.692 8.702 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.751 7.098 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.814 8.576 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.649 9.357 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.506 8.095 -4.162 1.00 0.00 H new ATOM 1297 N ILE A 88 10.850 11.178 -7.269 1.00 0.00 N ATOM 1298 CA ILE A 88 12.051 11.838 -6.738 1.00 0.00 C ATOM 1299 C ILE A 88 11.768 13.318 -6.461 1.00 0.00 C ATOM 1300 O ILE A 88 12.083 13.783 -5.371 1.00 0.00 O ATOM 1301 CB ILE A 88 13.252 11.629 -7.695 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.683 10.143 -7.791 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.462 12.498 -7.307 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.455 9.587 -6.585 1.00 0.00 C ATOM 0 H ILE A 88 10.959 10.860 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 88 12.322 11.382 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 88 12.900 11.944 -8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.790 9.535 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.301 10.021 -8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.279 12.317 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.180 13.550 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.785 12.242 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.704 8.541 -6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.372 10.159 -6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.838 9.666 -5.690 1.00 0.00 H new ATOM 1316 N LEU A 89 11.112 14.046 -7.375 1.00 0.00 N ATOM 1317 CA LEU A 89 10.721 15.443 -7.147 1.00 0.00 C ATOM 1318 C LEU A 89 9.815 15.589 -5.921 1.00 0.00 C ATOM 1319 O LEU A 89 10.098 16.426 -5.073 1.00 0.00 O ATOM 1320 CB LEU A 89 10.034 16.000 -8.416 1.00 0.00 C ATOM 1321 CG LEU A 89 9.520 17.451 -8.293 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.662 18.457 -8.123 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.727 17.828 -9.543 1.00 0.00 C ATOM 0 H LEU A 89 10.839 13.685 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 89 11.621 16.023 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.739 15.949 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.195 15.353 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 89 8.889 17.491 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.251 19.463 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.224 18.220 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.324 18.405 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.367 18.853 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.370 17.747 -10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.878 17.154 -9.652 1.00 0.00 H new ATOM 1335 N ASN A 90 8.774 14.762 -5.790 1.00 0.00 N ATOM 1336 CA ASN A 90 7.855 14.818 -4.650 1.00 0.00 C ATOM 1337 C ASN A 90 8.612 14.593 -3.331 1.00 0.00 C ATOM 1338 O ASN A 90 8.605 15.465 -2.458 1.00 0.00 O ATOM 1339 CB ASN A 90 6.708 13.811 -4.895 1.00 0.00 C ATOM 1340 CG ASN A 90 5.573 13.888 -3.876 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.530 14.724 -2.989 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.603 13.008 -3.984 1.00 0.00 N ATOM 0 H ASN A 90 8.545 14.037 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 90 7.408 15.808 -4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.298 13.981 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.119 12.802 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.822 13.027 -3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.632 12.306 -4.723 1.00 0.00 H new ATOM 1349 N ARG A 91 9.375 13.491 -3.208 1.00 0.00 N ATOM 1350 CA ARG A 91 10.118 13.229 -1.956 1.00 0.00 C ATOM 1351 C ARG A 91 11.214 14.264 -1.692 1.00 0.00 C ATOM 1352 O ARG A 91 11.393 14.646 -0.544 1.00 0.00 O ATOM 1353 CB ARG A 91 10.616 11.770 -1.896 1.00 0.00 C ATOM 1354 CG ARG A 91 10.965 11.388 -0.444 1.00 0.00 C ATOM 1355 CD ARG A 91 11.407 9.929 -0.289 1.00 0.00 C ATOM 1356 NE ARG A 91 11.524 9.561 1.139 1.00 0.00 N ATOM 1357 CZ ARG A 91 10.592 9.042 1.922 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.382 8.806 1.503 1.00 0.00 N ATOM 1359 NH2 ARG A 91 10.849 8.740 3.158 1.00 0.00 N ATOM 0 H ARG A 91 9.494 12.785 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 91 9.419 13.349 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.848 11.099 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.493 11.650 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.761 12.041 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.096 11.566 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.688 9.273 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.365 9.780 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 91 12.432 9.727 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.124 9.022 0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.692 8.405 2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.781 8.902 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.119 8.341 3.748 1.00 0.00 H new ATOM 1373 N LEU A 92 11.884 14.791 -2.719 1.00 0.00 N ATOM 1374 CA LEU A 92 12.898 15.844 -2.552 1.00 0.00 C ATOM 1375 C LEU A 92 12.268 17.182 -2.127 1.00 0.00 C ATOM 1376 O LEU A 92 12.819 17.861 -1.262 1.00 0.00 O ATOM 1377 CB LEU A 92 13.699 15.960 -3.862 1.00 0.00 C ATOM 1378 CG LEU A 92 14.916 16.898 -3.817 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.036 16.368 -2.920 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.466 17.038 -5.234 1.00 0.00 C ATOM 0 H LEU A 92 11.743 14.504 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 92 13.578 15.575 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.040 14.965 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.027 16.304 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 92 14.584 17.852 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.870 17.070 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.664 16.255 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.374 15.401 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.331 17.701 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.763 16.058 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.697 17.455 -5.883 1.00 0.00 H new ATOM 1392 N ARG A 93 11.091 17.531 -2.665 1.00 0.00 N ATOM 1393 CA ARG A 93 10.346 18.745 -2.287 1.00 0.00 C ATOM 1394 C ARG A 93 9.887 18.675 -0.835 1.00 0.00 C ATOM 1395 O ARG A 93 10.105 19.627 -0.095 1.00 0.00 O ATOM 1396 CB ARG A 93 9.158 18.946 -3.247 1.00 0.00 C ATOM 1397 CG ARG A 93 8.483 20.321 -3.064 1.00 0.00 C ATOM 1398 CD ARG A 93 7.126 20.389 -3.775 1.00 0.00 C ATOM 1399 NE ARG A 93 6.107 19.602 -3.053 1.00 0.00 N ATOM 1400 CZ ARG A 93 4.864 19.359 -3.414 1.00 0.00 C ATOM 1401 NH1 ARG A 93 4.351 19.772 -4.539 1.00 0.00 N ATOM 1402 NH2 ARG A 93 4.118 18.681 -2.601 1.00 0.00 N ATOM 0 H ARG A 93 10.623 16.975 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 93 11.007 19.607 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.505 18.848 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.423 18.158 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.347 20.520 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.137 21.101 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.803 21.427 -3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.226 20.013 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 93 6.402 19.196 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.920 20.313 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.381 19.554 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.498 18.353 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.150 18.475 -2.849 1.00 0.00 H new ATOM 1416 N GLU A 94 9.334 17.548 -0.387 1.00 0.00 N ATOM 1417 CA GLU A 94 8.931 17.412 1.024 1.00 0.00 C ATOM 1418 C GLU A 94 10.152 17.368 1.961 1.00 0.00 C ATOM 1419 O GLU A 94 10.180 18.071 2.968 1.00 0.00 O ATOM 1420 CB GLU A 94 8.014 16.196 1.221 1.00 0.00 C ATOM 1421 CG GLU A 94 6.737 16.226 0.369 1.00 0.00 C ATOM 1422 CD GLU A 94 5.965 17.554 0.478 1.00 0.00 C ATOM 1423 OE1 GLU A 94 5.406 17.846 1.561 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.908 18.302 -0.530 1.00 0.00 O ATOM 0 H GLU A 94 9.155 16.726 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 94 8.359 18.300 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.574 15.291 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.734 16.133 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.000 16.051 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.085 15.408 0.675 1.00 0.00 H new ATOM 1431 N ARG A 95 11.206 16.629 1.587 1.00 0.00 N ATOM 1432 CA ARG A 95 12.467 16.539 2.353 1.00 0.00 C ATOM 1433 C ARG A 95 13.122 17.911 2.574 1.00 0.00 C ATOM 1434 O ARG A 95 13.514 18.231 3.691 1.00 0.00 O ATOM 1435 CB ARG A 95 13.394 15.576 1.592 1.00 0.00 C ATOM 1436 CG ARG A 95 14.755 15.293 2.246 1.00 0.00 C ATOM 1437 CD ARG A 95 15.572 14.409 1.296 1.00 0.00 C ATOM 1438 NE ARG A 95 16.813 13.930 1.928 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.116 12.693 2.278 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.226 11.745 2.318 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.337 12.381 2.581 1.00 0.00 N ATOM 0 H ARG A 95 11.212 16.069 0.735 1.00 0.00 H new ATOM 0 HA ARG A 95 12.264 16.161 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.872 14.628 1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.569 15.983 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.282 16.226 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.619 14.794 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.969 13.556 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.816 14.972 0.395 1.00 0.00 H new ATOM 0 HE ARG A 95 17.523 14.638 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.256 11.945 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.498 10.801 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.068 13.092 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.567 11.425 2.851 1.00 0.00 H new ATOM 1455 N VAL A 96 13.242 18.715 1.514 1.00 0.00 N ATOM 1456 CA VAL A 96 13.973 19.999 1.548 1.00 0.00 C ATOM 1457 C VAL A 96 13.076 21.189 1.925 1.00 0.00 C ATOM 1458 O VAL A 96 13.538 22.098 2.617 1.00 0.00 O ATOM 1459 CB VAL A 96 14.699 20.229 0.205 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.456 21.563 0.160 1.00 0.00 C ATOM 1461 CG2 VAL A 96 15.741 19.124 -0.042 1.00 0.00 C ATOM 0 H VAL A 96 12.837 18.500 0.603 1.00 0.00 H new ATOM 0 HA VAL A 96 14.718 19.932 2.341 1.00 0.00 H new ATOM 0 HB VAL A 96 13.917 20.226 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.947 21.670 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.754 22.385 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.205 21.583 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.242 19.303 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.476 19.131 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.243 18.155 -0.071 1.00 0.00 H new ATOM 1471 N SER A 97 11.800 21.174 1.522 1.00 0.00 N ATOM 1472 CA SER A 97 10.876 22.321 1.614 1.00 0.00 C ATOM 1473 C SER A 97 9.533 22.014 2.303 1.00 0.00 C ATOM 1474 O SER A 97 8.664 22.886 2.355 1.00 0.00 O ATOM 1475 CB SER A 97 10.621 22.913 0.217 1.00 0.00 C ATOM 1476 OG SER A 97 11.842 23.212 -0.449 1.00 0.00 O ATOM 0 H SER A 97 11.367 20.346 1.112 1.00 0.00 H new ATOM 0 HA SER A 97 11.380 23.045 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.043 22.207 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.022 23.819 0.308 1.00 0.00 H new ATOM 0 HG SER A 97 11.649 23.585 -1.334 1.00 0.00 H new ATOM 1482 N GLY A 98 9.328 20.814 2.867 1.00 0.00 N ATOM 1483 CA GLY A 98 8.082 20.435 3.552 1.00 0.00 C ATOM 1484 C GLY A 98 7.755 21.286 4.788 1.00 0.00 C ATOM 1485 O GLY A 98 6.587 21.414 5.160 1.00 0.00 O ATOM 0 H GLY A 98 10.028 20.073 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.256 20.510 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.150 19.390 3.853 1.00 0.00 H new ATOM 1489 N SER A 99 8.761 21.924 5.395 1.00 0.00 N ATOM 1490 CA SER A 99 8.586 22.943 6.439 1.00 0.00 C ATOM 1491 C SER A 99 7.976 24.228 5.862 1.00 0.00 C ATOM 1492 O SER A 99 6.918 24.669 6.310 1.00 0.00 O ATOM 1493 CB SER A 99 9.935 23.237 7.108 1.00 0.00 C ATOM 1494 OG SER A 99 10.931 23.483 6.120 1.00 0.00 O ATOM 0 H SER A 99 9.740 21.744 5.171 1.00 0.00 H new ATOM 0 HA SER A 99 7.894 22.557 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.843 24.102 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.231 22.394 7.732 1.00 0.00 H new ATOM 0 HG SER A 99 11.787 23.671 6.558 1.00 0.00 H new ATOM 1500 N THR A 100 8.578 24.772 4.799 1.00 0.00 N ATOM 1501 CA THR A 100 8.112 25.961 4.059 1.00 0.00 C ATOM 1502 C THR A 100 6.693 25.777 3.507 1.00 0.00 C ATOM 1503 O THR A 100 5.882 26.701 3.558 1.00 0.00 O ATOM 1504 CB THR A 100 9.071 26.270 2.892 1.00 0.00 C ATOM 1505 OG1 THR A 100 10.424 26.211 3.308 1.00 0.00 O ATOM 1506 CG2 THR A 100 8.841 27.655 2.283 1.00 0.00 C ATOM 0 H THR A 100 9.438 24.384 4.411 1.00 0.00 H new ATOM 0 HA THR A 100 8.098 26.792 4.764 1.00 0.00 H new ATOM 0 HB THR A 100 8.861 25.508 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.009 26.409 2.547 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.545 27.815 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.822 27.720 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.991 28.418 3.047 1.00 0.00 H new ATOM 1514 N ALA A 101 6.359 24.567 3.043 1.00 0.00 N ATOM 1515 CA ALA A 101 5.021 24.204 2.558 1.00 0.00 C ATOM 1516 C ALA A 101 3.925 24.220 3.652 1.00 0.00 C ATOM 1517 O ALA A 101 2.736 24.175 3.329 1.00 0.00 O ATOM 1518 CB ALA A 101 5.130 22.824 1.891 1.00 0.00 C ATOM 0 H ALA A 101 7.025 23.796 2.993 1.00 0.00 H new ATOM 0 HA ALA A 101 4.697 24.962 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.151 22.522 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.835 22.876 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.481 22.094 2.620 1.00 0.00 H new ATOM 1524 N GLN A 102 4.310 24.294 4.934 1.00 0.00 N ATOM 1525 CA GLN A 102 3.419 24.335 6.104 1.00 0.00 C ATOM 1526 C GLN A 102 3.495 25.668 6.888 1.00 0.00 C ATOM 1527 O GLN A 102 2.789 25.836 7.889 1.00 0.00 O ATOM 1528 CB GLN A 102 3.715 23.119 7.004 1.00 0.00 C ATOM 1529 CG GLN A 102 3.327 21.789 6.335 1.00 0.00 C ATOM 1530 CD GLN A 102 3.705 20.593 7.204 1.00 0.00 C ATOM 1531 OE1 GLN A 102 2.917 20.078 7.990 1.00 0.00 O ATOM 1532 NE2 GLN A 102 4.928 20.116 7.107 1.00 0.00 N ATOM 0 H GLN A 102 5.295 24.328 5.196 1.00 0.00 H new ATOM 0 HA GLN A 102 2.391 24.281 5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.776 23.103 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.171 23.223 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.254 21.776 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.824 21.709 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.590 20.538 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.214 19.324 7.683 1.00 0.00 H new ATOM 1541 N SER A 103 4.315 26.630 6.448 1.00 0.00 N ATOM 1542 CA SER A 103 4.429 27.965 7.061 1.00 0.00 C ATOM 1543 C SER A 103 3.139 28.797 6.927 1.00 0.00 C ATOM 1544 O SER A 103 2.416 28.694 5.927 1.00 0.00 O ATOM 1545 CB SER A 103 5.590 28.750 6.432 1.00 0.00 C ATOM 1546 OG SER A 103 6.831 28.083 6.629 1.00 0.00 O ATOM 0 H SER A 103 4.929 26.504 5.643 1.00 0.00 H new ATOM 0 HA SER A 103 4.614 27.796 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.409 28.878 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.637 29.747 6.870 1.00 0.00 H new ATOM 0 HG SER A 103 7.551 28.604 6.217 1.00 0.00 H new ATOM 1552 N ALA A 104 2.866 29.646 7.927 1.00 0.00 N ATOM 1553 CA ALA A 104 1.729 30.576 7.954 1.00 0.00 C ATOM 1554 C ALA A 104 1.894 31.755 6.966 1.00 0.00 C ATOM 1555 O ALA A 104 0.899 32.112 6.295 1.00 0.00 O ATOM 1556 CB ALA A 104 1.509 31.052 9.401 1.00 0.00 C ATOM 1557 OXT ALA A 104 3.006 32.330 6.874 1.00 0.00 O ATOM 0 H ALA A 104 3.447 29.706 8.763 1.00 0.00 H new ATOM 0 HA ALA A 104 0.839 30.047 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.667 31.743 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.298 30.193 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.406 31.557 9.758 1.00 0.00 H new TER 1563 ALA A 104