USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=29 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 102 GLN : amide:sc= 0.629 K(o=1.2,f=0.32) USER MOD Set 1.2: A 103 SER OG : rot -170:sc= 0.567 USER MOD Set 2.1: A 87 GLN : amide:sc= 0.615 K(o=2.3,f=-3.8) USER MOD Set 2.2: A 90 ASN : amide:sc= 1.67 K(o=2.3,f=-3.7!) USER MOD Set 3.1: A 38 SER OG : rot 137:sc= 0.552 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0) USER MOD Set 3.3: A 54 GLN : amide:sc= 0.5 K(o=2.2,f=-5.1!) USER MOD Set 4.1: A 28 THR OG1 : rot -163:sc= 0.634 USER MOD Set 4.2: A 31 GLN : amide:sc= 0.705 X(o=1.3,f=1.1) USER MOD Set 5.1: A 25 THR OG1 : rot -76:sc= 2.02 USER MOD Set 5.2: A 27 SER OG : rot -102:sc= 1.21 USER MOD Single : A 1 SER N :NH3+ -102:sc= 0.0353 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 3 SER OG : rot -125:sc=0.000211 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 10 ASN : amide:sc= 0.388 K(o=0.39,f=-6!) USER MOD Single : A 11 HIS : no HD1:sc= 0.00418 X(o=0.0042,f=-0.38) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.344 X(o=0.34,f=-0.05) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 178:sc= -0.224 (180deg=-0.229) USER MOD Single : A 39 THR OG1 : rot 152:sc= 0.0876 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 55 THR OG1 : rot -53:sc= 1.22 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc=0.000263 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 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 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 174:sc= 0 (180deg=-0.032) USER MOD Single : A 81 TYR OH : rot 92:sc= 0.0387 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.111 -5.578 -9.377 1.00 0.00 N ATOM 2 CA SER A 1 -3.834 -6.013 -10.011 1.00 0.00 C ATOM 3 C SER A 1 -2.818 -6.509 -8.975 1.00 0.00 C ATOM 4 O SER A 1 -2.868 -6.108 -7.812 1.00 0.00 O ATOM 5 CB SER A 1 -3.222 -4.886 -10.856 1.00 0.00 C ATOM 6 OG SER A 1 -4.168 -4.459 -11.827 1.00 0.00 O ATOM 0 H1 SER A 1 -5.830 -6.320 -9.499 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.955 -5.411 -8.362 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.440 -4.700 -9.826 1.00 0.00 H new ATOM 0 HA SER A 1 -4.077 -6.849 -10.667 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.938 -4.050 -10.217 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.313 -5.236 -11.346 1.00 0.00 H new ATOM 0 HG SER A 1 -3.780 -3.739 -12.367 1.00 0.00 H new ATOM 14 N VAL A 2 -1.883 -7.376 -9.392 1.00 0.00 N ATOM 15 CA VAL A 2 -0.791 -7.939 -8.559 1.00 0.00 C ATOM 16 C VAL A 2 0.573 -7.842 -9.261 1.00 0.00 C ATOM 17 O VAL A 2 0.640 -7.688 -10.484 1.00 0.00 O ATOM 18 CB VAL A 2 -1.077 -9.399 -8.132 1.00 0.00 C ATOM 19 CG1 VAL A 2 -2.290 -9.486 -7.200 1.00 0.00 C ATOM 20 CG2 VAL A 2 -1.298 -10.347 -9.317 1.00 0.00 C ATOM 0 H VAL A 2 -1.859 -7.721 -10.351 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.751 -7.330 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.178 -9.720 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.461 -10.526 -6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.103 -8.896 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.171 -9.099 -7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.493 -11.353 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.151 -10.004 -9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.407 -10.358 -9.945 1.00 0.00 H new ATOM 30 N SER A 3 1.662 -7.939 -8.490 1.00 0.00 N ATOM 31 CA SER A 3 3.050 -7.935 -8.986 1.00 0.00 C ATOM 32 C SER A 3 3.945 -8.914 -8.208 1.00 0.00 C ATOM 33 O SER A 3 3.578 -9.396 -7.130 1.00 0.00 O ATOM 34 CB SER A 3 3.619 -6.511 -8.923 1.00 0.00 C ATOM 35 OG SER A 3 4.858 -6.448 -9.616 1.00 0.00 O ATOM 0 H SER A 3 1.604 -8.025 -7.475 1.00 0.00 H new ATOM 0 HA SER A 3 3.037 -8.273 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.911 -5.809 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.759 -6.213 -7.884 1.00 0.00 H new ATOM 0 HG SER A 3 5.550 -6.097 -9.017 1.00 0.00 H new ATOM 41 N ILE A 4 5.121 -9.214 -8.768 1.00 0.00 N ATOM 42 CA ILE A 4 6.149 -10.105 -8.196 1.00 0.00 C ATOM 43 C ILE A 4 7.302 -9.355 -7.500 1.00 0.00 C ATOM 44 O ILE A 4 8.124 -9.990 -6.835 1.00 0.00 O ATOM 45 CB ILE A 4 6.664 -11.131 -9.237 1.00 0.00 C ATOM 46 CG1 ILE A 4 7.569 -10.564 -10.357 1.00 0.00 C ATOM 47 CG2 ILE A 4 5.504 -11.964 -9.814 1.00 0.00 C ATOM 48 CD1 ILE A 4 6.929 -9.591 -11.358 1.00 0.00 C ATOM 0 H ILE A 4 5.399 -8.829 -9.671 1.00 0.00 H new ATOM 0 HA ILE A 4 5.649 -10.663 -7.404 1.00 0.00 H new ATOM 0 HB ILE A 4 7.330 -11.780 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.411 -10.057 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.977 -11.405 -10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.894 -12.676 -10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.008 -12.504 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.788 -11.302 -10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.676 -9.274 -12.086 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.108 -10.088 -11.874 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.548 -8.719 -10.826 1.00 0.00 H new ATOM 60 N LEU A 5 7.372 -8.024 -7.632 1.00 0.00 N ATOM 61 CA LEU A 5 8.358 -7.159 -6.965 1.00 0.00 C ATOM 62 C LEU A 5 7.804 -5.754 -6.651 1.00 0.00 C ATOM 63 O LEU A 5 6.921 -5.254 -7.351 1.00 0.00 O ATOM 64 CB LEU A 5 9.681 -7.097 -7.765 1.00 0.00 C ATOM 65 CG LEU A 5 9.732 -6.173 -9.003 1.00 0.00 C ATOM 66 CD1 LEU A 5 11.162 -6.144 -9.549 1.00 0.00 C ATOM 67 CD2 LEU A 5 8.815 -6.617 -10.142 1.00 0.00 C ATOM 0 H LEU A 5 6.725 -7.502 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 5 8.577 -7.616 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.471 -6.786 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.923 -8.108 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 5 9.393 -5.194 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.205 -5.494 -10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.837 -5.765 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.464 -7.152 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.906 -5.920 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.102 -7.616 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.783 -6.633 -9.793 1.00 0.00 H new ATOM 79 N ARG A 6 8.353 -5.116 -5.602 1.00 0.00 N ATOM 80 CA ARG A 6 7.985 -3.766 -5.107 1.00 0.00 C ATOM 81 C ARG A 6 6.487 -3.574 -4.789 1.00 0.00 C ATOM 82 O ARG A 6 5.998 -2.445 -4.735 1.00 0.00 O ATOM 83 CB ARG A 6 8.559 -2.672 -6.037 1.00 0.00 C ATOM 84 CG ARG A 6 10.092 -2.714 -6.136 1.00 0.00 C ATOM 85 CD ARG A 6 10.616 -1.549 -6.983 1.00 0.00 C ATOM 86 NE ARG A 6 12.090 -1.509 -6.979 1.00 0.00 N ATOM 87 CZ ARG A 6 12.940 -1.951 -7.885 1.00 0.00 C ATOM 88 NH1 ARG A 6 12.573 -2.521 -8.999 1.00 0.00 N ATOM 89 NH2 ARG A 6 14.207 -1.809 -7.642 1.00 0.00 N ATOM 0 H ARG A 6 9.097 -5.540 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 6 8.456 -3.662 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.132 -2.789 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.250 -1.693 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.527 -2.668 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.406 -3.660 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.255 -1.649 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.223 -0.609 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 6 12.513 -1.077 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.582 -2.644 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.277 -2.843 -9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.514 -1.368 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.896 -2.138 -8.318 1.00 0.00 H new ATOM 103 N SER A 7 5.761 -4.661 -4.517 1.00 0.00 N ATOM 104 CA SER A 7 4.298 -4.683 -4.321 1.00 0.00 C ATOM 105 C SER A 7 3.814 -3.878 -3.100 1.00 0.00 C ATOM 106 O SER A 7 2.665 -3.437 -3.059 1.00 0.00 O ATOM 107 CB SER A 7 3.825 -6.136 -4.185 1.00 0.00 C ATOM 108 OG SER A 7 4.319 -6.923 -5.263 1.00 0.00 O ATOM 0 H SER A 7 6.184 -5.584 -4.423 1.00 0.00 H new ATOM 0 HA SER A 7 3.866 -4.203 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.169 -6.550 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.736 -6.170 -4.171 1.00 0.00 H new ATOM 0 HG SER A 7 4.010 -7.848 -5.161 1.00 0.00 H new ATOM 114 N SER A 8 4.696 -3.648 -2.119 1.00 0.00 N ATOM 115 CA SER A 8 4.459 -2.815 -0.927 1.00 0.00 C ATOM 116 C SER A 8 4.608 -1.302 -1.174 1.00 0.00 C ATOM 117 O SER A 8 4.249 -0.505 -0.304 1.00 0.00 O ATOM 118 CB SER A 8 5.423 -3.256 0.179 1.00 0.00 C ATOM 119 OG SER A 8 6.768 -3.144 -0.276 1.00 0.00 O ATOM 0 H SER A 8 5.632 -4.052 -2.132 1.00 0.00 H new ATOM 0 HA SER A 8 3.419 -2.966 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.278 -2.640 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.212 -4.286 0.468 1.00 0.00 H new ATOM 0 HG SER A 8 7.379 -3.426 0.437 1.00 0.00 H new ATOM 125 N VAL A 9 5.134 -0.898 -2.342 1.00 0.00 N ATOM 126 CA VAL A 9 5.451 0.497 -2.712 1.00 0.00 C ATOM 127 C VAL A 9 6.336 1.177 -1.645 1.00 0.00 C ATOM 128 O VAL A 9 6.058 2.276 -1.159 1.00 0.00 O ATOM 129 CB VAL A 9 4.187 1.304 -3.108 1.00 0.00 C ATOM 130 CG1 VAL A 9 4.556 2.552 -3.927 1.00 0.00 C ATOM 131 CG2 VAL A 9 3.217 0.492 -3.984 1.00 0.00 C ATOM 0 H VAL A 9 5.360 -1.558 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 9 6.054 0.475 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 9 3.713 1.568 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.649 3.096 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.207 3.196 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.074 2.250 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.350 1.105 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.722 0.190 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.891 -0.395 -3.440 1.00 0.00 H new ATOM 141 N ASN A 10 7.410 0.486 -1.241 1.00 0.00 N ATOM 142 CA ASN A 10 8.337 0.920 -0.190 1.00 0.00 C ATOM 143 C ASN A 10 9.078 2.219 -0.579 1.00 0.00 C ATOM 144 O ASN A 10 9.775 2.274 -1.596 1.00 0.00 O ATOM 145 CB ASN A 10 9.301 -0.250 0.106 1.00 0.00 C ATOM 146 CG ASN A 10 10.284 0.007 1.242 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.378 1.088 1.802 1.00 0.00 O ATOM 148 ND2 ASN A 10 11.064 -0.983 1.610 1.00 0.00 N ATOM 0 H ASN A 10 7.664 -0.414 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 10 7.786 1.168 0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.713 -1.136 0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.864 -0.477 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.743 -0.846 2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.991 -1.889 1.147 1.00 0.00 H new ATOM 155 N HIS A 11 8.975 3.261 0.257 1.00 0.00 N ATOM 156 CA HIS A 11 9.610 4.572 0.036 1.00 0.00 C ATOM 157 C HIS A 11 11.140 4.553 0.145 1.00 0.00 C ATOM 158 O HIS A 11 11.789 5.470 -0.364 1.00 0.00 O ATOM 159 CB HIS A 11 9.009 5.602 1.007 1.00 0.00 C ATOM 160 CG HIS A 11 9.321 5.318 2.458 1.00 0.00 C ATOM 161 ND1 HIS A 11 8.612 4.441 3.285 1.00 0.00 N ATOM 162 CD2 HIS A 11 10.368 5.840 3.162 1.00 0.00 C ATOM 163 CE1 HIS A 11 9.247 4.460 4.471 1.00 0.00 C ATOM 164 NE2 HIS A 11 10.303 5.291 4.425 1.00 0.00 N ATOM 0 H HIS A 11 8.438 3.218 1.123 1.00 0.00 H new ATOM 0 HA HIS A 11 9.398 4.853 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.384 6.593 0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.927 5.626 0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.103 6.544 2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 11 8.950 3.888 5.338 1.00 0.00 H new ATOM 0 HE2 HIS A 11 10.946 5.483 5.193 1.00 0.00 H new ATOM 172 N ARG A 12 11.738 3.509 0.740 1.00 0.00 N ATOM 173 CA ARG A 12 13.203 3.361 0.824 1.00 0.00 C ATOM 174 C ARG A 12 13.868 3.345 -0.547 1.00 0.00 C ATOM 175 O ARG A 12 14.981 3.829 -0.672 1.00 0.00 O ATOM 176 CB ARG A 12 13.576 2.074 1.576 1.00 0.00 C ATOM 177 CG ARG A 12 15.064 1.975 1.978 1.00 0.00 C ATOM 178 CD ARG A 12 15.575 3.120 2.868 1.00 0.00 C ATOM 179 NE ARG A 12 14.878 3.154 4.171 1.00 0.00 N ATOM 180 CZ ARG A 12 14.899 4.130 5.061 1.00 0.00 C ATOM 181 NH1 ARG A 12 15.480 5.276 4.848 1.00 0.00 N ATOM 182 NH2 ARG A 12 14.320 3.965 6.216 1.00 0.00 N ATOM 0 H ARG A 12 11.223 2.744 1.176 1.00 0.00 H new ATOM 0 HA ARG A 12 13.569 4.232 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.964 2.004 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.324 1.217 0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.222 1.031 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.668 1.942 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.646 3.003 3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.433 4.071 2.355 1.00 0.00 H new ATOM 0 HE ARG A 12 14.320 2.334 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.948 5.453 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.467 5.996 5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.852 3.084 6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.334 4.716 6.906 1.00 0.00 H new ATOM 196 N GLU A 13 13.187 2.844 -1.576 1.00 0.00 N ATOM 197 CA GLU A 13 13.702 2.854 -2.951 1.00 0.00 C ATOM 198 C GLU A 13 13.895 4.293 -3.471 1.00 0.00 C ATOM 199 O GLU A 13 14.925 4.605 -4.065 1.00 0.00 O ATOM 200 CB GLU A 13 12.726 2.076 -3.845 1.00 0.00 C ATOM 201 CG GLU A 13 12.680 0.573 -3.540 1.00 0.00 C ATOM 202 CD GLU A 13 13.959 -0.157 -3.990 1.00 0.00 C ATOM 203 OE1 GLU A 13 14.052 -0.517 -5.190 1.00 0.00 O ATOM 204 OE2 GLU A 13 14.859 -0.397 -3.149 1.00 0.00 O ATOM 0 H GLU A 13 12.264 2.420 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 13 14.682 2.377 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.726 2.493 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.009 2.218 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.539 0.427 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.818 0.130 -4.038 1.00 0.00 H new ATOM 211 N VAL A 14 12.936 5.186 -3.184 1.00 0.00 N ATOM 212 CA VAL A 14 13.001 6.619 -3.546 1.00 0.00 C ATOM 213 C VAL A 14 14.063 7.347 -2.713 1.00 0.00 C ATOM 214 O VAL A 14 14.853 8.118 -3.252 1.00 0.00 O ATOM 215 CB VAL A 14 11.619 7.293 -3.379 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.597 8.731 -3.915 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.508 6.531 -4.113 1.00 0.00 C ATOM 0 H VAL A 14 12.081 4.935 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 14 13.288 6.687 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 14 11.441 7.288 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.604 9.157 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.330 9.331 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.842 8.727 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.557 7.043 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.737 6.490 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.439 5.518 -3.717 1.00 0.00 H new ATOM 227 N ASP A 15 14.114 7.073 -1.405 1.00 0.00 N ATOM 228 CA ASP A 15 15.138 7.616 -0.495 1.00 0.00 C ATOM 229 C ASP A 15 16.565 7.190 -0.897 1.00 0.00 C ATOM 230 O ASP A 15 17.468 8.024 -0.988 1.00 0.00 O ATOM 231 CB ASP A 15 14.799 7.141 0.922 1.00 0.00 C ATOM 232 CG ASP A 15 15.892 7.482 1.945 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.156 8.690 2.147 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.440 6.546 2.574 1.00 0.00 O ATOM 0 H ASP A 15 13.441 6.463 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 15 15.128 8.705 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.860 7.595 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.643 6.062 0.910 1.00 0.00 H new ATOM 239 N GLU A 16 16.759 5.905 -1.198 1.00 0.00 N ATOM 240 CA GLU A 16 18.027 5.352 -1.676 1.00 0.00 C ATOM 241 C GLU A 16 18.422 5.936 -3.037 1.00 0.00 C ATOM 242 O GLU A 16 19.586 6.284 -3.231 1.00 0.00 O ATOM 243 CB GLU A 16 17.931 3.817 -1.738 1.00 0.00 C ATOM 244 CG GLU A 16 19.232 3.201 -2.271 1.00 0.00 C ATOM 245 CD GLU A 16 19.213 1.663 -2.177 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.422 1.117 -1.064 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.027 0.986 -3.219 1.00 0.00 O ATOM 0 H GLU A 16 16.022 5.204 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 16 18.812 5.631 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.719 3.423 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.099 3.528 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.378 3.501 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.078 3.590 -1.704 1.00 0.00 H new ATOM 254 N ALA A 17 17.474 6.090 -3.969 1.00 0.00 N ATOM 255 CA ALA A 17 17.755 6.704 -5.265 1.00 0.00 C ATOM 256 C ALA A 17 18.205 8.173 -5.119 1.00 0.00 C ATOM 257 O ALA A 17 19.192 8.571 -5.738 1.00 0.00 O ATOM 258 CB ALA A 17 16.521 6.569 -6.164 1.00 0.00 C ATOM 0 H ALA A 17 16.505 5.796 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 17 18.589 6.180 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.725 7.025 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.285 5.514 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.674 7.072 -5.697 1.00 0.00 H new ATOM 264 N ILE A 18 17.540 8.957 -4.258 1.00 0.00 N ATOM 265 CA ILE A 18 17.951 10.335 -3.935 1.00 0.00 C ATOM 266 C ILE A 18 19.366 10.360 -3.344 1.00 0.00 C ATOM 267 O ILE A 18 20.201 11.122 -3.826 1.00 0.00 O ATOM 268 CB ILE A 18 16.907 11.006 -3.005 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.638 11.335 -3.824 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.442 12.291 -2.337 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.415 11.700 -2.975 1.00 0.00 C ATOM 0 H ILE A 18 16.700 8.655 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 18 17.986 10.919 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 18 16.679 10.302 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.859 12.164 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.389 10.476 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.669 12.718 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.319 12.050 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.717 13.013 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.570 11.916 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.164 10.865 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.641 12.579 -2.371 1.00 0.00 H new ATOM 283 N ASP A 19 19.672 9.518 -2.355 1.00 0.00 N ATOM 284 CA ASP A 19 21.009 9.455 -1.746 1.00 0.00 C ATOM 285 C ASP A 19 22.096 8.996 -2.736 1.00 0.00 C ATOM 286 O ASP A 19 23.186 9.569 -2.772 1.00 0.00 O ATOM 287 CB ASP A 19 20.955 8.523 -0.528 1.00 0.00 C ATOM 288 CG ASP A 19 22.315 8.460 0.188 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.680 9.444 0.875 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.018 7.424 0.073 1.00 0.00 O ATOM 0 H ASP A 19 19.004 8.861 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 19 21.288 10.463 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.192 8.873 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.662 7.522 -0.846 1.00 0.00 H new ATOM 295 N ASN A 20 21.790 8.021 -3.599 1.00 0.00 N ATOM 296 CA ASN A 20 22.697 7.557 -4.648 1.00 0.00 C ATOM 297 C ASN A 20 23.001 8.667 -5.672 1.00 0.00 C ATOM 298 O ASN A 20 24.165 8.867 -6.012 1.00 0.00 O ATOM 299 CB ASN A 20 22.092 6.309 -5.314 1.00 0.00 C ATOM 300 CG ASN A 20 22.992 5.756 -6.409 1.00 0.00 C ATOM 301 OD1 ASN A 20 22.806 6.020 -7.588 1.00 0.00 O ATOM 302 ND2 ASN A 20 24.002 4.992 -6.060 1.00 0.00 N ATOM 0 H ASN A 20 20.897 7.529 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 20 23.655 7.291 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.924 5.540 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.119 6.559 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.630 4.620 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.158 4.771 -5.077 1.00 0.00 H new ATOM 309 N ILE A 21 21.992 9.433 -6.103 1.00 0.00 N ATOM 310 CA ILE A 21 22.178 10.609 -6.977 1.00 0.00 C ATOM 311 C ILE A 21 23.010 11.683 -6.274 1.00 0.00 C ATOM 312 O ILE A 21 23.967 12.196 -6.853 1.00 0.00 O ATOM 313 CB ILE A 21 20.803 11.156 -7.432 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.201 10.226 -8.507 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.932 12.590 -7.979 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.683 10.393 -8.660 1.00 0.00 C ATOM 0 H ILE A 21 21.018 9.258 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 21 22.730 10.305 -7.866 1.00 0.00 H new ATOM 0 HB ILE A 21 20.139 11.184 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.682 10.427 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.423 9.190 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.952 12.950 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.327 13.242 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.609 12.594 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.318 9.713 -9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.195 10.164 -7.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.457 11.420 -8.946 1.00 0.00 H new ATOM 328 N LEU A 22 22.679 11.996 -5.022 1.00 0.00 N ATOM 329 CA LEU A 22 23.360 13.011 -4.217 1.00 0.00 C ATOM 330 C LEU A 22 24.858 12.684 -4.029 1.00 0.00 C ATOM 331 O LEU A 22 25.707 13.567 -4.160 1.00 0.00 O ATOM 332 CB LEU A 22 22.582 13.098 -2.889 1.00 0.00 C ATOM 333 CG LEU A 22 23.048 14.175 -1.904 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.849 15.581 -2.464 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.245 14.066 -0.606 1.00 0.00 C ATOM 0 H LEU A 22 21.912 11.541 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 22 23.360 13.982 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.531 13.274 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.642 12.130 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 22 24.111 14.012 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.192 16.315 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.421 15.690 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.791 15.743 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.578 14.833 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.186 14.206 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.399 13.081 -0.165 1.00 0.00 H new ATOM 347 N ARG A 23 25.191 11.403 -3.815 1.00 0.00 N ATOM 348 CA ARG A 23 26.577 10.904 -3.756 1.00 0.00 C ATOM 349 C ARG A 23 27.261 10.904 -5.129 1.00 0.00 C ATOM 350 O ARG A 23 28.370 11.419 -5.250 1.00 0.00 O ATOM 351 CB ARG A 23 26.565 9.507 -3.103 1.00 0.00 C ATOM 352 CG ARG A 23 27.948 8.855 -2.919 1.00 0.00 C ATOM 353 CD ARG A 23 28.894 9.661 -2.016 1.00 0.00 C ATOM 354 NE ARG A 23 30.179 8.956 -1.824 1.00 0.00 N ATOM 355 CZ ARG A 23 30.483 8.061 -0.899 1.00 0.00 C ATOM 356 NH1 ARG A 23 29.629 7.665 0.001 1.00 0.00 N ATOM 357 NH2 ARG A 23 31.675 7.534 -0.867 1.00 0.00 N ATOM 0 H ARG A 23 24.495 10.671 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 23 27.176 11.581 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.085 9.584 -2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.947 8.845 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.817 7.859 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.413 8.728 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.076 10.641 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.421 9.831 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 23 30.921 9.188 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.684 8.048 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.906 6.972 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 23 32.374 7.812 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.908 6.844 -0.153 1.00 0.00 H new ATOM 371 N TYR A 24 26.592 10.389 -6.164 1.00 0.00 N ATOM 372 CA TYR A 24 27.129 10.299 -7.533 1.00 0.00 C ATOM 373 C TYR A 24 27.474 11.676 -8.136 1.00 0.00 C ATOM 374 O TYR A 24 28.529 11.845 -8.749 1.00 0.00 O ATOM 375 CB TYR A 24 26.092 9.573 -8.405 1.00 0.00 C ATOM 376 CG TYR A 24 26.378 9.559 -9.895 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.514 8.890 -10.394 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.496 10.208 -10.785 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.776 8.881 -11.778 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.753 10.192 -12.167 1.00 0.00 C ATOM 381 CZ TYR A 24 26.896 9.535 -12.670 1.00 0.00 C ATOM 382 OH TYR A 24 27.137 9.530 -14.012 1.00 0.00 O ATOM 0 H TYR A 24 25.647 10.016 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 24 28.067 9.745 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.012 8.542 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.120 10.039 -8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.184 8.384 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.623 10.717 -10.404 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.650 8.374 -12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.073 10.684 -12.846 1.00 0.00 H new ATOM 0 HH TYR A 24 26.429 10.027 -14.473 1.00 0.00 H new ATOM 392 N THR A 25 26.618 12.678 -7.908 1.00 0.00 N ATOM 393 CA THR A 25 26.854 14.067 -8.348 1.00 0.00 C ATOM 394 C THR A 25 27.771 14.870 -7.415 1.00 0.00 C ATOM 395 O THR A 25 28.138 15.995 -7.759 1.00 0.00 O ATOM 396 CB THR A 25 25.537 14.833 -8.510 1.00 0.00 C ATOM 397 OG1 THR A 25 24.843 14.862 -7.284 1.00 0.00 O ATOM 398 CG2 THR A 25 24.604 14.247 -9.566 1.00 0.00 C ATOM 0 H THR A 25 25.736 12.553 -7.411 1.00 0.00 H new ATOM 0 HA THR A 25 27.360 13.969 -9.308 1.00 0.00 H new ATOM 0 HB THR A 25 25.820 15.833 -8.839 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.429 13.989 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.694 14.845 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.102 14.255 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.349 13.222 -9.297 1.00 0.00 H new ATOM 406 N ASN A 26 28.111 14.326 -6.235 1.00 0.00 N ATOM 407 CA ASN A 26 28.832 15.000 -5.143 1.00 0.00 C ATOM 408 C ASN A 26 28.256 16.390 -4.774 1.00 0.00 C ATOM 409 O ASN A 26 28.992 17.304 -4.388 1.00 0.00 O ATOM 410 CB ASN A 26 30.362 14.920 -5.354 1.00 0.00 C ATOM 411 CG ASN A 26 30.911 15.714 -6.534 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.318 15.162 -7.547 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.989 17.022 -6.426 1.00 0.00 N ATOM 0 H ASN A 26 27.880 13.359 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 26 28.649 14.443 -4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.854 15.268 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.638 13.874 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.388 17.574 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.650 17.485 -5.583 1.00 0.00 H new ATOM 420 N SER A 27 26.936 16.540 -4.923 1.00 0.00 N ATOM 421 CA SER A 27 26.206 17.806 -4.744 1.00 0.00 C ATOM 422 C SER A 27 25.586 17.949 -3.341 1.00 0.00 C ATOM 423 O SER A 27 25.755 17.090 -2.469 1.00 0.00 O ATOM 424 CB SER A 27 25.138 17.913 -5.839 1.00 0.00 C ATOM 425 OG SER A 27 24.135 16.934 -5.649 1.00 0.00 O ATOM 0 H SER A 27 26.326 15.764 -5.179 1.00 0.00 H new ATOM 0 HA SER A 27 26.917 18.628 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.692 18.907 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.599 17.785 -6.819 1.00 0.00 H new ATOM 0 HG SER A 27 24.282 16.190 -6.270 1.00 0.00 H new ATOM 431 N THR A 28 24.876 19.062 -3.115 1.00 0.00 N ATOM 432 CA THR A 28 24.009 19.256 -1.941 1.00 0.00 C ATOM 433 C THR A 28 22.550 19.080 -2.347 1.00 0.00 C ATOM 434 O THR A 28 22.165 19.371 -3.481 1.00 0.00 O ATOM 435 CB THR A 28 24.215 20.620 -1.274 1.00 0.00 C ATOM 436 OG1 THR A 28 23.936 21.655 -2.191 1.00 0.00 O ATOM 437 CG2 THR A 28 25.646 20.828 -0.791 1.00 0.00 C ATOM 0 H THR A 28 24.886 19.862 -3.747 1.00 0.00 H new ATOM 0 HA THR A 28 24.283 18.502 -1.204 1.00 0.00 H new ATOM 0 HB THR A 28 23.540 20.642 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.319 22.495 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.734 21.810 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.899 20.058 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.329 20.764 -1.638 1.00 0.00 H new ATOM 445 N GLU A 29 21.701 18.639 -1.422 1.00 0.00 N ATOM 446 CA GLU A 29 20.285 18.381 -1.705 1.00 0.00 C ATOM 447 C GLU A 29 19.532 19.652 -2.130 1.00 0.00 C ATOM 448 O GLU A 29 18.663 19.583 -2.994 1.00 0.00 O ATOM 449 CB GLU A 29 19.613 17.639 -0.530 1.00 0.00 C ATOM 450 CG GLU A 29 19.710 18.307 0.855 1.00 0.00 C ATOM 451 CD GLU A 29 20.984 17.886 1.621 1.00 0.00 C ATOM 452 OE1 GLU A 29 22.075 18.429 1.329 1.00 0.00 O ATOM 453 OE2 GLU A 29 20.896 17.015 2.520 1.00 0.00 O ATOM 0 H GLU A 29 21.971 18.450 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 29 20.234 17.717 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.558 17.505 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.053 16.644 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.702 19.390 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.831 18.045 1.444 1.00 0.00 H new ATOM 460 N GLN A 30 19.923 20.832 -1.628 1.00 0.00 N ATOM 461 CA GLN A 30 19.375 22.111 -2.093 1.00 0.00 C ATOM 462 C GLN A 30 19.781 22.452 -3.543 1.00 0.00 C ATOM 463 O GLN A 30 18.949 22.955 -4.297 1.00 0.00 O ATOM 464 CB GLN A 30 19.696 23.239 -1.093 1.00 0.00 C ATOM 465 CG GLN A 30 21.189 23.585 -0.947 1.00 0.00 C ATOM 466 CD GLN A 30 21.416 24.658 0.121 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.754 24.377 1.264 1.00 0.00 O ATOM 468 NE2 GLN A 30 21.231 25.923 -0.198 1.00 0.00 N ATOM 0 H GLN A 30 20.624 20.925 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 30 18.291 22.007 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.160 24.137 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.308 22.956 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.748 22.686 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.577 23.935 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.949 26.174 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.369 26.651 0.503 1.00 0.00 H new ATOM 477 N GLN A 31 21.005 22.113 -3.974 1.00 0.00 N ATOM 478 CA GLN A 31 21.409 22.258 -5.382 1.00 0.00 C ATOM 479 C GLN A 31 20.680 21.252 -6.284 1.00 0.00 C ATOM 480 O GLN A 31 20.239 21.616 -7.371 1.00 0.00 O ATOM 481 CB GLN A 31 22.931 22.112 -5.529 1.00 0.00 C ATOM 482 CG GLN A 31 23.683 23.354 -5.031 1.00 0.00 C ATOM 483 CD GLN A 31 25.194 23.187 -5.173 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.817 23.637 -6.126 1.00 0.00 O ATOM 485 NE2 GLN A 31 25.839 22.515 -4.243 1.00 0.00 N ATOM 0 H GLN A 31 21.734 21.736 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 31 21.124 23.259 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.266 21.238 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.178 21.935 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.358 24.228 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.433 23.538 -3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.332 22.135 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 31 26.846 22.374 -4.321 1.00 0.00 H new ATOM 494 N PHE A 32 20.481 20.012 -5.821 1.00 0.00 N ATOM 495 CA PHE A 32 19.686 19.010 -6.541 1.00 0.00 C ATOM 496 C PHE A 32 18.216 19.455 -6.676 1.00 0.00 C ATOM 497 O PHE A 32 17.658 19.384 -7.769 1.00 0.00 O ATOM 498 CB PHE A 32 19.861 17.653 -5.829 1.00 0.00 C ATOM 499 CG PHE A 32 19.168 16.424 -6.411 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.712 16.367 -7.747 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.997 15.300 -5.580 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.040 15.227 -8.220 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.335 14.155 -6.058 1.00 0.00 C ATOM 504 CZ PHE A 32 17.833 14.128 -7.370 1.00 0.00 C ATOM 0 H PHE A 32 20.866 19.675 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 32 20.040 18.902 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.929 17.439 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.515 17.772 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.881 17.204 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.377 15.317 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.682 15.196 -9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.212 13.295 -5.416 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.289 13.265 -7.724 1.00 0.00 H new ATOM 514 N LEU A 33 17.602 20.006 -5.619 1.00 0.00 N ATOM 515 CA LEU A 33 16.239 20.561 -5.672 1.00 0.00 C ATOM 516 C LEU A 33 16.145 21.752 -6.633 1.00 0.00 C ATOM 517 O LEU A 33 15.246 21.796 -7.467 1.00 0.00 O ATOM 518 CB LEU A 33 15.793 20.897 -4.231 1.00 0.00 C ATOM 519 CG LEU A 33 14.345 21.379 -3.980 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.094 22.829 -4.395 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.291 20.491 -4.647 1.00 0.00 C ATOM 0 H LEU A 33 18.037 20.080 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 33 15.550 19.822 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.952 20.007 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.465 21.667 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 33 14.241 21.308 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.057 23.092 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.755 23.488 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.291 22.942 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.297 20.883 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.453 20.481 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.372 19.476 -4.259 1.00 0.00 H new ATOM 533 N GLU A 34 17.102 22.676 -6.571 1.00 0.00 N ATOM 534 CA GLU A 34 17.159 23.836 -7.472 1.00 0.00 C ATOM 535 C GLU A 34 17.322 23.425 -8.945 1.00 0.00 C ATOM 536 O GLU A 34 16.648 23.968 -9.823 1.00 0.00 O ATOM 537 CB GLU A 34 18.285 24.780 -7.017 1.00 0.00 C ATOM 538 CG GLU A 34 18.334 26.079 -7.827 1.00 0.00 C ATOM 539 CD GLU A 34 19.402 27.040 -7.264 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.582 26.951 -7.685 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.069 27.896 -6.408 1.00 0.00 O ATOM 0 H GLU A 34 17.864 22.645 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 34 16.207 24.363 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.148 25.020 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.242 24.266 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.556 25.854 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.357 26.562 -7.806 1.00 0.00 H new ATOM 548 N ALA A 35 18.152 22.419 -9.220 1.00 0.00 N ATOM 549 CA ALA A 35 18.306 21.856 -10.559 1.00 0.00 C ATOM 550 C ALA A 35 17.030 21.142 -11.030 1.00 0.00 C ATOM 551 O ALA A 35 16.597 21.368 -12.154 1.00 0.00 O ATOM 552 CB ALA A 35 19.527 20.937 -10.573 1.00 0.00 C ATOM 0 H ALA A 35 18.739 21.970 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 35 18.469 22.664 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.651 20.511 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.416 21.510 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.386 20.134 -9.850 1.00 0.00 H new ATOM 558 N MET A 36 16.378 20.351 -10.176 1.00 0.00 N ATOM 559 CA MET A 36 15.092 19.722 -10.501 1.00 0.00 C ATOM 560 C MET A 36 13.987 20.757 -10.767 1.00 0.00 C ATOM 561 O MET A 36 13.191 20.579 -11.686 1.00 0.00 O ATOM 562 CB MET A 36 14.691 18.773 -9.363 1.00 0.00 C ATOM 563 CG MET A 36 15.537 17.494 -9.349 1.00 0.00 C ATOM 564 SD MET A 36 15.072 16.285 -10.612 1.00 0.00 S ATOM 565 CE MET A 36 13.591 15.586 -9.835 1.00 0.00 C ATOM 0 H MET A 36 16.723 20.128 -9.242 1.00 0.00 H new ATOM 0 HA MET A 36 15.214 19.156 -11.425 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.798 19.288 -8.408 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.638 18.509 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.584 17.763 -9.487 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.454 17.028 -8.367 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.149 14.842 -10.498 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.864 15.115 -8.891 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.868 16.381 -9.649 1.00 0.00 H new ATOM 575 N GLU A 37 13.952 21.870 -10.034 1.00 0.00 N ATOM 576 CA GLU A 37 13.047 22.991 -10.327 1.00 0.00 C ATOM 577 C GLU A 37 13.381 23.654 -11.681 1.00 0.00 C ATOM 578 O GLU A 37 12.478 23.965 -12.459 1.00 0.00 O ATOM 579 CB GLU A 37 13.102 23.990 -9.156 1.00 0.00 C ATOM 580 CG GLU A 37 12.083 25.124 -9.303 1.00 0.00 C ATOM 581 CD GLU A 37 12.090 26.040 -8.063 1.00 0.00 C ATOM 582 OE1 GLU A 37 12.922 26.977 -7.995 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.251 25.840 -7.150 1.00 0.00 O ATOM 0 H GLU A 37 14.548 22.024 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 37 12.027 22.620 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.918 23.460 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.104 24.413 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.312 25.710 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.086 24.706 -9.444 1.00 0.00 H new ATOM 590 N SER A 38 14.674 23.805 -11.998 1.00 0.00 N ATOM 591 CA SER A 38 15.153 24.325 -13.290 1.00 0.00 C ATOM 592 C SER A 38 14.800 23.421 -14.487 1.00 0.00 C ATOM 593 O SER A 38 14.545 23.931 -15.583 1.00 0.00 O ATOM 594 CB SER A 38 16.673 24.536 -13.197 1.00 0.00 C ATOM 595 OG SER A 38 17.216 25.104 -14.379 1.00 0.00 O ATOM 0 H SER A 38 15.430 23.566 -11.356 1.00 0.00 H new ATOM 0 HA SER A 38 14.642 25.269 -13.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.895 25.185 -12.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.158 23.580 -13.001 1.00 0.00 H new ATOM 0 HG SER A 38 17.862 25.802 -14.140 1.00 0.00 H new ATOM 601 N THR A 39 14.729 22.094 -14.298 1.00 0.00 N ATOM 602 CA THR A 39 14.460 21.121 -15.381 1.00 0.00 C ATOM 603 C THR A 39 13.007 20.630 -15.450 1.00 0.00 C ATOM 604 O THR A 39 12.674 19.817 -16.315 1.00 0.00 O ATOM 605 CB THR A 39 15.410 19.919 -15.309 1.00 0.00 C ATOM 606 OG1 THR A 39 15.157 19.161 -14.146 1.00 0.00 O ATOM 607 CG2 THR A 39 16.875 20.341 -15.330 1.00 0.00 C ATOM 0 H THR A 39 14.857 21.658 -13.385 1.00 0.00 H new ATOM 0 HA THR A 39 14.642 21.680 -16.299 1.00 0.00 H new ATOM 0 HB THR A 39 15.222 19.312 -16.195 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.403 18.226 -14.305 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.509 19.456 -15.277 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.084 20.883 -16.252 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.080 20.986 -14.476 1.00 0.00 H new ATOM 615 N GLY A 40 12.127 21.097 -14.553 1.00 0.00 N ATOM 616 CA GLY A 40 10.728 20.644 -14.486 1.00 0.00 C ATOM 617 C GLY A 40 10.570 19.219 -13.931 1.00 0.00 C ATOM 618 O GLY A 40 9.651 18.496 -14.317 1.00 0.00 O ATOM 0 H GLY A 40 12.364 21.800 -13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.161 21.334 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.292 20.687 -15.484 1.00 0.00 H new ATOM 622 N GLY A 41 11.493 18.799 -13.057 1.00 0.00 N ATOM 623 CA GLY A 41 11.507 17.477 -12.426 1.00 0.00 C ATOM 624 C GLY A 41 12.221 16.381 -13.225 1.00 0.00 C ATOM 625 O GLY A 41 12.116 15.209 -12.871 1.00 0.00 O ATOM 0 H GLY A 41 12.272 19.388 -12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.985 17.563 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.478 17.165 -12.251 1.00 0.00 H new ATOM 629 N ARG A 42 12.957 16.722 -14.293 1.00 0.00 N ATOM 630 CA ARG A 42 13.698 15.737 -15.113 1.00 0.00 C ATOM 631 C ARG A 42 15.025 15.381 -14.452 1.00 0.00 C ATOM 632 O ARG A 42 16.011 16.095 -14.620 1.00 0.00 O ATOM 633 CB ARG A 42 13.878 16.286 -16.545 1.00 0.00 C ATOM 634 CG ARG A 42 12.635 16.079 -17.424 1.00 0.00 C ATOM 635 CD ARG A 42 12.519 14.637 -17.944 1.00 0.00 C ATOM 636 NE ARG A 42 11.523 14.536 -19.031 1.00 0.00 N ATOM 637 CZ ARG A 42 10.205 14.457 -18.936 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.580 14.460 -17.791 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.477 14.374 -20.013 1.00 0.00 N ATOM 0 H ARG A 42 13.059 17.684 -14.617 1.00 0.00 H new ATOM 0 HA ARG A 42 13.126 14.812 -15.184 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.108 17.350 -16.495 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.733 15.797 -17.012 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.742 16.329 -16.851 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.673 16.765 -18.270 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.490 14.299 -18.306 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.236 13.975 -17.126 1.00 0.00 H new ATOM 0 HE ARG A 42 11.900 14.526 -19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.109 14.525 -16.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.562 14.397 -17.765 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.922 14.370 -20.931 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.462 14.313 -19.939 1.00 0.00 H new ATOM 653 N VAL A 43 15.058 14.239 -13.758 1.00 0.00 N ATOM 654 CA VAL A 43 16.237 13.743 -13.015 1.00 0.00 C ATOM 655 C VAL A 43 17.475 13.658 -13.907 1.00 0.00 C ATOM 656 O VAL A 43 18.518 14.177 -13.529 1.00 0.00 O ATOM 657 CB VAL A 43 15.937 12.379 -12.343 1.00 0.00 C ATOM 658 CG1 VAL A 43 17.139 11.838 -11.559 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.774 12.494 -11.346 1.00 0.00 C ATOM 0 H VAL A 43 14.253 13.616 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 43 16.454 14.466 -12.229 1.00 0.00 H new ATOM 0 HB VAL A 43 15.689 11.702 -13.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.878 10.881 -11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.983 11.702 -12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.412 12.546 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.587 11.521 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.030 13.215 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.878 12.828 -11.869 1.00 0.00 H new ATOM 669 N ARG A 44 17.357 13.122 -15.132 1.00 0.00 N ATOM 670 CA ARG A 44 18.501 13.000 -16.064 1.00 0.00 C ATOM 671 C ARG A 44 19.139 14.348 -16.428 1.00 0.00 C ATOM 672 O ARG A 44 20.359 14.488 -16.411 1.00 0.00 O ATOM 673 CB ARG A 44 18.094 12.152 -17.289 1.00 0.00 C ATOM 674 CG ARG A 44 17.050 12.782 -18.237 1.00 0.00 C ATOM 675 CD ARG A 44 16.622 11.814 -19.354 1.00 0.00 C ATOM 676 NE ARG A 44 17.744 11.492 -20.263 1.00 0.00 N ATOM 677 CZ ARG A 44 18.354 10.330 -20.434 1.00 0.00 C ATOM 678 NH1 ARG A 44 18.021 9.254 -19.777 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.332 10.228 -21.288 1.00 0.00 N ATOM 0 H ARG A 44 16.479 12.763 -15.506 1.00 0.00 H new ATOM 0 HA ARG A 44 19.301 12.470 -15.547 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.992 11.931 -17.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.702 11.200 -16.932 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.174 13.082 -17.662 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.464 13.687 -18.681 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.238 10.895 -18.911 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.807 12.257 -19.926 1.00 0.00 H new ATOM 0 HE ARG A 44 18.092 12.265 -20.831 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.261 9.286 -19.097 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.520 8.380 -19.943 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.628 11.043 -21.825 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.802 9.333 -21.420 1.00 0.00 H new ATOM 693 N ILE A 45 18.308 15.372 -16.645 1.00 0.00 N ATOM 694 CA ILE A 45 18.779 16.733 -16.968 1.00 0.00 C ATOM 695 C ILE A 45 19.314 17.417 -15.700 1.00 0.00 C ATOM 696 O ILE A 45 20.320 18.112 -15.757 1.00 0.00 O ATOM 697 CB ILE A 45 17.684 17.561 -17.688 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.063 16.794 -18.881 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.284 18.891 -18.193 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.947 17.546 -19.619 1.00 0.00 C ATOM 0 H ILE A 45 17.292 15.287 -16.603 1.00 0.00 H new ATOM 0 HA ILE A 45 19.606 16.663 -17.675 1.00 0.00 H new ATOM 0 HB ILE A 45 16.891 17.753 -16.965 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.854 16.556 -19.593 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.665 15.846 -18.518 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.511 19.470 -18.699 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.669 19.461 -17.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.096 18.683 -18.890 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.574 16.931 -20.438 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.133 17.761 -18.926 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.340 18.481 -20.018 1.00 0.00 H new ATOM 712 N ALA A 46 18.704 17.173 -14.535 1.00 0.00 N ATOM 713 CA ALA A 46 19.161 17.744 -13.264 1.00 0.00 C ATOM 714 C ALA A 46 20.548 17.204 -12.867 1.00 0.00 C ATOM 715 O ALA A 46 21.454 17.989 -12.578 1.00 0.00 O ATOM 716 CB ALA A 46 18.101 17.478 -12.188 1.00 0.00 C ATOM 0 H ALA A 46 17.882 16.576 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 46 19.282 18.822 -13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.432 17.899 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.160 17.942 -12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.957 16.403 -12.077 1.00 0.00 H new ATOM 722 N ILE A 47 20.762 15.883 -12.951 1.00 0.00 N ATOM 723 CA ILE A 47 22.085 15.290 -12.693 1.00 0.00 C ATOM 724 C ILE A 47 23.094 15.697 -13.774 1.00 0.00 C ATOM 725 O ILE A 47 24.236 15.991 -13.430 1.00 0.00 O ATOM 726 CB ILE A 47 22.032 13.769 -12.433 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.721 12.935 -13.696 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.047 13.489 -11.286 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.650 11.421 -13.453 1.00 0.00 C ATOM 0 H ILE A 47 20.039 15.206 -13.195 1.00 0.00 H new ATOM 0 HA ILE A 47 22.448 15.708 -11.754 1.00 0.00 H new ATOM 0 HB ILE A 47 23.029 13.444 -12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.771 13.269 -14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.486 13.135 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.004 12.416 -11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.382 14.003 -10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.056 13.848 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.428 10.912 -14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.607 11.069 -13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.865 11.205 -12.728 1.00 0.00 H new ATOM 741 N ALA A 48 22.679 15.837 -15.041 1.00 0.00 N ATOM 742 CA ALA A 48 23.538 16.405 -16.087 1.00 0.00 C ATOM 743 C ALA A 48 24.000 17.846 -15.772 1.00 0.00 C ATOM 744 O ALA A 48 25.193 18.133 -15.867 1.00 0.00 O ATOM 745 CB ALA A 48 22.795 16.327 -17.425 1.00 0.00 C ATOM 0 H ALA A 48 21.751 15.564 -15.366 1.00 0.00 H new ATOM 0 HA ALA A 48 24.455 15.817 -16.138 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.420 16.746 -18.213 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.569 15.286 -17.655 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.866 16.894 -17.359 1.00 0.00 H new ATOM 751 N LYS A 49 23.095 18.732 -15.319 1.00 0.00 N ATOM 752 CA LYS A 49 23.431 20.121 -14.932 1.00 0.00 C ATOM 753 C LYS A 49 24.296 20.201 -13.670 1.00 0.00 C ATOM 754 O LYS A 49 25.140 21.089 -13.569 1.00 0.00 O ATOM 755 CB LYS A 49 22.151 20.968 -14.777 1.00 0.00 C ATOM 756 CG LYS A 49 21.505 21.289 -16.138 1.00 0.00 C ATOM 757 CD LYS A 49 20.312 22.256 -16.046 1.00 0.00 C ATOM 758 CE LYS A 49 20.774 23.666 -15.631 1.00 0.00 C ATOM 759 NZ LYS A 49 19.717 24.704 -15.798 1.00 0.00 N ATOM 0 H LYS A 49 22.106 18.508 -15.209 1.00 0.00 H new ATOM 0 HA LYS A 49 24.033 20.533 -15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.435 20.433 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.391 21.898 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.260 21.720 -16.796 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.173 20.360 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.804 22.305 -17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.589 21.879 -15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.092 23.645 -14.589 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.645 23.945 -16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.122 25.644 -15.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.346 24.668 -16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.945 24.524 -15.125 1.00 0.00 H new ATOM 773 N LEU A 50 24.138 19.263 -12.733 1.00 0.00 N ATOM 774 CA LEU A 50 25.037 19.112 -11.578 1.00 0.00 C ATOM 775 C LEU A 50 26.441 18.634 -12.001 1.00 0.00 C ATOM 776 O LEU A 50 27.436 19.201 -11.552 1.00 0.00 O ATOM 777 CB LEU A 50 24.395 18.155 -10.551 1.00 0.00 C ATOM 778 CG LEU A 50 23.642 18.833 -9.392 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.648 19.900 -9.839 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.847 17.782 -8.619 1.00 0.00 C ATOM 0 H LEU A 50 23.380 18.581 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 50 25.175 20.088 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.702 17.498 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.177 17.522 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 50 24.409 19.315 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.159 20.330 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.176 20.684 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.898 19.449 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.313 18.261 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.131 17.303 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.529 17.031 -8.220 1.00 0.00 H new ATOM 792 N LEU A 51 26.534 17.642 -12.895 1.00 0.00 N ATOM 793 CA LEU A 51 27.819 17.112 -13.382 1.00 0.00 C ATOM 794 C LEU A 51 28.595 18.123 -14.251 1.00 0.00 C ATOM 795 O LEU A 51 29.822 18.182 -14.159 1.00 0.00 O ATOM 796 CB LEU A 51 27.570 15.794 -14.147 1.00 0.00 C ATOM 797 CG LEU A 51 27.167 14.603 -13.253 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.658 13.458 -14.128 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.331 14.079 -12.411 1.00 0.00 C ATOM 0 H LEU A 51 25.721 17.182 -13.303 1.00 0.00 H new ATOM 0 HA LEU A 51 28.451 16.919 -12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.786 15.960 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.474 15.531 -14.696 1.00 0.00 H new ATOM 0 HG LEU A 51 26.392 14.963 -12.577 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.373 12.616 -13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.792 13.793 -14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.446 13.147 -14.814 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.991 13.242 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.135 13.747 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.698 14.875 -11.762 1.00 0.00 H new ATOM 811 N SER A 52 27.904 18.960 -15.035 1.00 0.00 N ATOM 812 CA SER A 52 28.510 20.090 -15.763 1.00 0.00 C ATOM 813 C SER A 52 28.662 21.368 -14.930 1.00 0.00 C ATOM 814 O SER A 52 29.210 22.353 -15.431 1.00 0.00 O ATOM 815 CB SER A 52 27.697 20.424 -17.015 1.00 0.00 C ATOM 816 OG SER A 52 26.456 21.021 -16.660 1.00 0.00 O ATOM 0 H SER A 52 26.899 18.874 -15.185 1.00 0.00 H new ATOM 0 HA SER A 52 29.513 19.750 -16.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 28.264 21.102 -17.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.519 19.517 -17.592 1.00 0.00 H new ATOM 0 HG SER A 52 25.949 21.230 -17.472 1.00 0.00 H new ATOM 822 N LYS A 53 28.132 21.395 -13.696 1.00 0.00 N ATOM 823 CA LYS A 53 27.981 22.582 -12.829 1.00 0.00 C ATOM 824 C LYS A 53 27.492 23.851 -13.563 1.00 0.00 C ATOM 825 O LYS A 53 27.883 24.968 -13.228 1.00 0.00 O ATOM 826 CB LYS A 53 29.213 22.745 -11.911 1.00 0.00 C ATOM 827 CG LYS A 53 30.561 22.845 -12.650 1.00 0.00 C ATOM 828 CD LYS A 53 31.761 22.930 -11.695 1.00 0.00 C ATOM 829 CE LYS A 53 31.797 24.246 -10.904 1.00 0.00 C ATOM 830 NZ LYS A 53 33.014 24.336 -10.046 1.00 0.00 N ATOM 0 H LYS A 53 27.778 20.548 -13.251 1.00 0.00 H new ATOM 0 HA LYS A 53 27.142 22.405 -12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.080 23.641 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.252 21.898 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.680 21.977 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.552 23.725 -13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 53 31.725 22.093 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 53 32.683 22.829 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.775 25.088 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.905 24.322 -10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 33.006 25.237 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 33.021 23.546 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 33.864 24.288 -10.643 1.00 0.00 H new ATOM 844 N GLN A 54 26.637 23.657 -14.577 1.00 0.00 N ATOM 845 CA GLN A 54 26.128 24.676 -15.513 1.00 0.00 C ATOM 846 C GLN A 54 27.234 25.476 -16.247 1.00 0.00 C ATOM 847 O GLN A 54 27.121 26.687 -16.451 1.00 0.00 O ATOM 848 CB GLN A 54 25.033 25.521 -14.822 1.00 0.00 C ATOM 849 CG GLN A 54 24.067 26.204 -15.810 1.00 0.00 C ATOM 850 CD GLN A 54 22.957 26.982 -15.101 1.00 0.00 C ATOM 851 OE1 GLN A 54 21.801 26.579 -15.074 1.00 0.00 O ATOM 852 NE2 GLN A 54 23.253 28.122 -14.512 1.00 0.00 N ATOM 0 H GLN A 54 26.259 22.732 -14.780 1.00 0.00 H new ATOM 0 HA GLN A 54 25.647 24.166 -16.348 1.00 0.00 H new ATOM 0 HB2 GLN A 54 24.461 24.881 -14.151 1.00 0.00 H new ATOM 0 HB3 GLN A 54 25.509 26.284 -14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.629 26.883 -16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.621 25.449 -16.457 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.212 28.470 -14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.523 28.657 -14.041 1.00 0.00 H new ATOM 861 N THR A 55 28.311 24.797 -16.665 1.00 0.00 N ATOM 862 CA THR A 55 29.433 25.389 -17.438 1.00 0.00 C ATOM 863 C THR A 55 29.536 24.901 -18.893 1.00 0.00 C ATOM 864 O THR A 55 30.315 25.461 -19.667 1.00 0.00 O ATOM 865 CB THR A 55 30.789 25.211 -16.726 1.00 0.00 C ATOM 866 OG1 THR A 55 31.157 23.853 -16.597 1.00 0.00 O ATOM 867 CG2 THR A 55 30.798 25.858 -15.344 1.00 0.00 C ATOM 0 H THR A 55 28.438 23.803 -16.477 1.00 0.00 H new ATOM 0 HA THR A 55 29.189 26.450 -17.484 1.00 0.00 H new ATOM 0 HB THR A 55 31.518 25.713 -17.362 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.427 23.355 -16.172 1.00 0.00 H new ATOM 0 HG21 THR A 55 31.772 25.708 -14.879 1.00 0.00 H new ATOM 0 HG22 THR A 55 30.602 26.926 -15.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 30.026 25.402 -14.724 1.00 0.00 H new ATOM 875 N SER A 56 28.739 23.903 -19.294 1.00 0.00 N ATOM 876 CA SER A 56 28.663 23.380 -20.673 1.00 0.00 C ATOM 877 C SER A 56 27.252 22.884 -21.035 1.00 0.00 C ATOM 878 O SER A 56 26.451 22.542 -20.159 1.00 0.00 O ATOM 879 CB SER A 56 29.701 22.266 -20.891 1.00 0.00 C ATOM 880 OG SER A 56 29.492 21.162 -20.020 1.00 0.00 O ATOM 0 H SER A 56 28.109 23.420 -18.653 1.00 0.00 H new ATOM 0 HA SER A 56 28.892 24.211 -21.341 1.00 0.00 H new ATOM 0 HB2 SER A 56 29.654 21.925 -21.925 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.702 22.668 -20.733 1.00 0.00 H new ATOM 0 HG SER A 56 30.171 20.477 -20.192 1.00 0.00 H new ATOM 886 N GLY A 57 26.936 22.875 -22.335 1.00 0.00 N ATOM 887 CA GLY A 57 25.632 22.469 -22.884 1.00 0.00 C ATOM 888 C GLY A 57 25.312 23.115 -24.242 1.00 0.00 C ATOM 889 O GLY A 57 26.140 23.820 -24.824 1.00 0.00 O ATOM 0 H GLY A 57 27.598 23.158 -23.057 1.00 0.00 H new ATOM 0 HA2 GLY A 57 25.614 21.385 -22.993 1.00 0.00 H new ATOM 0 HA3 GLY A 57 24.849 22.731 -22.172 1.00 0.00 H new ATOM 893 N GLY A 58 24.095 22.883 -24.745 1.00 0.00 N ATOM 894 CA GLY A 58 23.573 23.515 -25.970 1.00 0.00 C ATOM 895 C GLY A 58 24.139 22.971 -27.293 1.00 0.00 C ATOM 896 O GLY A 58 24.037 23.643 -28.323 1.00 0.00 O ATOM 0 H GLY A 58 23.432 22.242 -24.309 1.00 0.00 H new ATOM 0 HA2 GLY A 58 22.489 23.398 -25.984 1.00 0.00 H new ATOM 0 HA3 GLY A 58 23.778 24.585 -25.921 1.00 0.00 H new ATOM 900 N SER A 59 24.737 21.774 -27.284 1.00 0.00 N ATOM 901 CA SER A 59 25.436 21.180 -28.440 1.00 0.00 C ATOM 902 C SER A 59 24.513 20.805 -29.615 1.00 0.00 C ATOM 903 O SER A 59 24.966 20.756 -30.761 1.00 0.00 O ATOM 904 CB SER A 59 26.198 19.923 -27.998 1.00 0.00 C ATOM 905 OG SER A 59 27.053 20.202 -26.893 1.00 0.00 O ATOM 0 H SER A 59 24.751 21.175 -26.458 1.00 0.00 H new ATOM 0 HA SER A 59 26.112 21.954 -28.802 1.00 0.00 H new ATOM 0 HB2 SER A 59 25.489 19.142 -27.725 1.00 0.00 H new ATOM 0 HB3 SER A 59 26.788 19.540 -28.831 1.00 0.00 H new ATOM 0 HG SER A 59 27.525 19.384 -26.630 1.00 0.00 H new ATOM 911 N GLY A 60 23.223 20.556 -29.352 1.00 0.00 N ATOM 912 CA GLY A 60 22.213 20.197 -30.359 1.00 0.00 C ATOM 913 C GLY A 60 22.382 18.792 -30.964 1.00 0.00 C ATOM 914 O GLY A 60 23.193 17.981 -30.505 1.00 0.00 O ATOM 0 H GLY A 60 22.842 20.600 -28.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 21.225 20.266 -29.904 1.00 0.00 H new ATOM 0 HA3 GLY A 60 22.245 20.931 -31.164 1.00 0.00 H new ATOM 918 N GLY A 61 21.592 18.505 -32.003 1.00 0.00 N ATOM 919 CA GLY A 61 21.606 17.234 -32.743 1.00 0.00 C ATOM 920 C GLY A 61 20.503 17.127 -33.805 1.00 0.00 C ATOM 921 O GLY A 61 19.583 17.952 -33.852 1.00 0.00 O ATOM 0 H GLY A 61 20.905 19.167 -32.365 1.00 0.00 H new ATOM 0 HA2 GLY A 61 22.576 17.115 -33.226 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.499 16.411 -32.036 1.00 0.00 H new ATOM 925 N SER A 62 20.591 16.104 -34.661 1.00 0.00 N ATOM 926 CA SER A 62 19.648 15.849 -35.766 1.00 0.00 C ATOM 927 C SER A 62 18.387 15.071 -35.350 1.00 0.00 C ATOM 928 O SER A 62 17.365 15.142 -36.038 1.00 0.00 O ATOM 929 CB SER A 62 20.373 15.106 -36.895 1.00 0.00 C ATOM 930 OG SER A 62 20.942 13.891 -36.417 1.00 0.00 O ATOM 0 H SER A 62 21.337 15.410 -34.607 1.00 0.00 H new ATOM 0 HA SER A 62 19.299 16.824 -36.104 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.674 14.892 -37.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 21.156 15.741 -37.310 1.00 0.00 H new ATOM 0 HG SER A 62 21.398 13.432 -37.153 1.00 0.00 H new ATOM 936 N LYS A 63 18.433 14.346 -34.222 1.00 0.00 N ATOM 937 CA LYS A 63 17.311 13.557 -33.679 1.00 0.00 C ATOM 938 C LYS A 63 16.194 14.457 -33.129 1.00 0.00 C ATOM 939 O LYS A 63 16.470 15.416 -32.404 1.00 0.00 O ATOM 940 CB LYS A 63 17.839 12.622 -32.571 1.00 0.00 C ATOM 941 CG LYS A 63 16.822 11.544 -32.151 1.00 0.00 C ATOM 942 CD LYS A 63 17.099 11.061 -30.722 1.00 0.00 C ATOM 943 CE LYS A 63 16.184 9.882 -30.357 1.00 0.00 C ATOM 944 NZ LYS A 63 16.450 9.385 -28.978 1.00 0.00 N ATOM 0 H LYS A 63 19.272 14.289 -33.645 1.00 0.00 H new ATOM 0 HA LYS A 63 16.881 12.968 -34.489 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.751 12.136 -32.918 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.108 13.218 -31.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.811 11.947 -32.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.873 10.701 -32.841 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.142 10.759 -30.631 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.942 11.880 -30.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.142 10.191 -30.438 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.332 9.072 -31.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.814 8.590 -28.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.438 9.067 -28.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.284 10.151 -28.295 1.00 0.00 H new ATOM 958 N LEU A 64 14.939 14.094 -33.410 1.00 0.00 N ATOM 959 CA LEU A 64 13.728 14.672 -32.809 1.00 0.00 C ATOM 960 C LEU A 64 12.690 13.573 -32.511 1.00 0.00 C ATOM 961 O LEU A 64 12.679 12.528 -33.170 1.00 0.00 O ATOM 962 CB LEU A 64 13.123 15.735 -33.756 1.00 0.00 C ATOM 963 CG LEU A 64 13.954 17.017 -33.956 1.00 0.00 C ATOM 964 CD1 LEU A 64 13.311 17.881 -35.041 1.00 0.00 C ATOM 965 CD2 LEU A 64 14.041 17.861 -32.683 1.00 0.00 C ATOM 0 H LEU A 64 14.728 13.362 -34.088 1.00 0.00 H new ATOM 0 HA LEU A 64 14.002 15.149 -31.868 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.963 15.274 -34.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.143 16.018 -33.372 1.00 0.00 H new ATOM 0 HG LEU A 64 14.959 16.700 -34.237 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.900 18.787 -35.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.275 17.323 -35.977 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.298 18.149 -34.740 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.637 18.753 -32.878 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.039 18.155 -32.372 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.509 17.277 -31.891 1.00 0.00 H new ATOM 977 N GLY A 65 11.801 13.813 -31.545 1.00 0.00 N ATOM 978 CA GLY A 65 10.688 12.912 -31.202 1.00 0.00 C ATOM 979 C GLY A 65 9.554 12.901 -32.241 1.00 0.00 C ATOM 980 O GLY A 65 9.400 13.843 -33.024 1.00 0.00 O ATOM 0 H GLY A 65 11.831 14.652 -30.966 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.075 11.899 -31.089 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.279 13.206 -30.235 1.00 0.00 H new ATOM 984 N GLY A 66 8.762 11.827 -32.256 1.00 0.00 N ATOM 985 CA GLY A 66 7.618 11.647 -33.156 1.00 0.00 C ATOM 986 C GLY A 66 6.360 12.427 -32.739 1.00 0.00 C ATOM 987 O GLY A 66 6.167 12.750 -31.564 1.00 0.00 O ATOM 0 H GLY A 66 8.901 11.037 -31.626 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.908 11.956 -34.160 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.374 10.586 -33.207 1.00 0.00 H new ATOM 991 N SER A 67 5.507 12.740 -33.722 1.00 0.00 N ATOM 992 CA SER A 67 4.348 13.644 -33.576 1.00 0.00 C ATOM 993 C SER A 67 3.059 13.173 -34.278 1.00 0.00 C ATOM 994 O SER A 67 2.057 13.896 -34.274 1.00 0.00 O ATOM 995 CB SER A 67 4.745 15.044 -34.066 1.00 0.00 C ATOM 996 OG SER A 67 5.124 15.007 -35.439 1.00 0.00 O ATOM 0 H SER A 67 5.602 12.365 -34.666 1.00 0.00 H new ATOM 0 HA SER A 67 4.097 13.651 -32.515 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.910 15.732 -33.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.571 15.424 -33.465 1.00 0.00 H new ATOM 0 HG SER A 67 5.372 15.908 -35.734 1.00 0.00 H new ATOM 1002 N GLY A 68 3.048 11.969 -34.866 1.00 0.00 N ATOM 1003 CA GLY A 68 1.891 11.412 -35.580 1.00 0.00 C ATOM 1004 C GLY A 68 2.004 9.910 -35.881 1.00 0.00 C ATOM 1005 O GLY A 68 3.080 9.318 -35.779 1.00 0.00 O ATOM 0 H GLY A 68 3.855 11.345 -34.859 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.993 11.586 -34.987 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.763 11.951 -36.519 1.00 0.00 H new ATOM 1009 N GLY A 69 0.880 9.291 -36.262 1.00 0.00 N ATOM 1010 CA GLY A 69 0.725 7.831 -36.394 1.00 0.00 C ATOM 1011 C GLY A 69 1.547 7.153 -37.505 1.00 0.00 C ATOM 1012 O GLY A 69 1.615 5.922 -37.550 1.00 0.00 O ATOM 0 H GLY A 69 0.029 9.802 -36.494 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.993 7.372 -35.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.329 7.614 -36.568 1.00 0.00 H new ATOM 1016 N SER A 70 2.206 7.927 -38.375 1.00 0.00 N ATOM 1017 CA SER A 70 3.172 7.440 -39.375 1.00 0.00 C ATOM 1018 C SER A 70 4.504 6.955 -38.769 1.00 0.00 C ATOM 1019 O SER A 70 5.283 6.287 -39.456 1.00 0.00 O ATOM 1020 CB SER A 70 3.431 8.539 -40.412 1.00 0.00 C ATOM 1021 OG SER A 70 3.883 9.732 -39.780 1.00 0.00 O ATOM 0 H SER A 70 2.081 8.939 -38.406 1.00 0.00 H new ATOM 0 HA SER A 70 2.722 6.566 -39.846 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.176 8.198 -41.132 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.517 8.741 -40.970 1.00 0.00 H new ATOM 0 HG SER A 70 4.044 10.421 -40.458 1.00 0.00 H new ATOM 1027 N ARG A 71 4.759 7.255 -37.484 1.00 0.00 N ATOM 1028 CA ARG A 71 5.942 6.848 -36.701 1.00 0.00 C ATOM 1029 C ARG A 71 5.528 6.174 -35.382 1.00 0.00 C ATOM 1030 O ARG A 71 4.519 6.540 -34.779 1.00 0.00 O ATOM 1031 CB ARG A 71 6.823 8.099 -36.498 1.00 0.00 C ATOM 1032 CG ARG A 71 8.128 7.850 -35.723 1.00 0.00 C ATOM 1033 CD ARG A 71 9.000 9.111 -35.740 1.00 0.00 C ATOM 1034 NE ARG A 71 10.134 9.000 -34.799 1.00 0.00 N ATOM 1035 CZ ARG A 71 10.953 9.975 -34.441 1.00 0.00 C ATOM 1036 NH1 ARG A 71 10.899 11.165 -34.967 1.00 0.00 N ATOM 1037 NH2 ARG A 71 11.856 9.793 -33.525 1.00 0.00 N ATOM 0 H ARG A 71 4.112 7.818 -36.933 1.00 0.00 H new ATOM 0 HA ARG A 71 6.523 6.095 -37.234 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.071 8.514 -37.475 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.241 8.854 -35.969 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.901 7.569 -34.694 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.671 7.017 -36.169 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.378 9.279 -36.748 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.393 9.978 -35.479 1.00 0.00 H new ATOM 0 HE ARG A 71 10.301 8.083 -34.386 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.205 11.374 -35.685 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.550 11.888 -34.661 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.943 8.885 -33.068 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.478 10.558 -33.263 1.00 0.00 H new ATOM 1051 N LYS A 72 6.331 5.214 -34.902 1.00 0.00 N ATOM 1052 CA LYS A 72 6.084 4.433 -33.667 1.00 0.00 C ATOM 1053 C LYS A 72 6.573 5.155 -32.393 1.00 0.00 C ATOM 1054 O LYS A 72 7.148 4.550 -31.488 1.00 0.00 O ATOM 1055 CB LYS A 72 6.637 3.005 -33.861 1.00 0.00 C ATOM 1056 CG LYS A 72 5.952 1.972 -32.945 1.00 0.00 C ATOM 1057 CD LYS A 72 6.426 0.531 -33.198 1.00 0.00 C ATOM 1058 CE LYS A 72 7.900 0.322 -32.813 1.00 0.00 C ATOM 1059 NZ LYS A 72 8.318 -1.096 -32.991 1.00 0.00 N ATOM 0 H LYS A 72 7.197 4.947 -35.371 1.00 0.00 H new ATOM 0 HA LYS A 72 5.011 4.344 -33.496 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.504 2.707 -34.901 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.709 3.005 -33.664 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.145 2.234 -31.905 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.873 2.024 -33.092 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.803 -0.159 -32.628 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.290 0.287 -34.252 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.531 0.967 -33.424 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.051 0.619 -31.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.317 -1.200 -32.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.732 -1.709 -32.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.197 -1.371 -33.987 1.00 0.00 H new ATOM 1073 N ASP A 73 6.382 6.474 -32.342 1.00 0.00 N ATOM 1074 CA ASP A 73 6.759 7.351 -31.226 1.00 0.00 C ATOM 1075 C ASP A 73 5.851 8.593 -31.166 1.00 0.00 C ATOM 1076 O ASP A 73 5.520 9.169 -32.205 1.00 0.00 O ATOM 1077 CB ASP A 73 8.231 7.770 -31.374 1.00 0.00 C ATOM 1078 CG ASP A 73 8.718 8.595 -30.171 1.00 0.00 C ATOM 1079 OD1 ASP A 73 8.624 8.099 -29.022 1.00 0.00 O ATOM 1080 OD2 ASP A 73 9.202 9.732 -30.379 1.00 0.00 O ATOM 0 H ASP A 73 5.942 6.984 -33.108 1.00 0.00 H new ATOM 0 HA ASP A 73 6.632 6.801 -30.293 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.852 6.881 -31.479 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.352 8.353 -32.287 1.00 0.00 H new ATOM 1085 N LEU A 74 5.461 9.010 -29.956 1.00 0.00 N ATOM 1086 CA LEU A 74 4.623 10.188 -29.683 1.00 0.00 C ATOM 1087 C LEU A 74 5.086 10.896 -28.400 1.00 0.00 C ATOM 1088 O LEU A 74 5.502 10.241 -27.443 1.00 0.00 O ATOM 1089 CB LEU A 74 3.143 9.764 -29.532 1.00 0.00 C ATOM 1090 CG LEU A 74 2.443 9.274 -30.816 1.00 0.00 C ATOM 1091 CD1 LEU A 74 1.037 8.777 -30.470 1.00 0.00 C ATOM 1092 CD2 LEU A 74 2.301 10.387 -31.857 1.00 0.00 C ATOM 0 H LEU A 74 5.730 8.517 -29.104 1.00 0.00 H new ATOM 0 HA LEU A 74 4.719 10.878 -30.522 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.088 8.970 -28.787 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.582 10.611 -29.137 1.00 0.00 H new ATOM 0 HG LEU A 74 3.059 8.478 -31.234 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.540 8.430 -31.376 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.107 7.955 -29.757 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.461 9.591 -30.030 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.803 9.995 -32.743 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.710 11.202 -31.440 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.289 10.758 -32.130 1.00 0.00 H new ATOM 1104 N SER A 75 4.922 12.219 -28.330 1.00 0.00 N ATOM 1105 CA SER A 75 5.261 13.038 -27.148 1.00 0.00 C ATOM 1106 C SER A 75 4.491 12.639 -25.875 1.00 0.00 C ATOM 1107 O SER A 75 5.022 12.751 -24.768 1.00 0.00 O ATOM 1108 CB SER A 75 5.004 14.516 -27.467 1.00 0.00 C ATOM 1109 OG SER A 75 3.656 14.706 -27.875 1.00 0.00 O ATOM 0 H SER A 75 4.544 12.767 -29.103 1.00 0.00 H new ATOM 0 HA SER A 75 6.315 12.861 -26.935 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.215 15.126 -26.589 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.680 14.848 -28.255 1.00 0.00 H new ATOM 0 HG SER A 75 3.505 15.654 -28.074 1.00 0.00 H new ATOM 1115 N VAL A 76 3.265 12.116 -26.029 1.00 0.00 N ATOM 1116 CA VAL A 76 2.410 11.589 -24.940 1.00 0.00 C ATOM 1117 C VAL A 76 2.618 10.092 -24.644 1.00 0.00 C ATOM 1118 O VAL A 76 1.934 9.538 -23.786 1.00 0.00 O ATOM 1119 CB VAL A 76 0.920 11.909 -25.192 1.00 0.00 C ATOM 1120 CG1 VAL A 76 0.676 13.422 -25.241 1.00 0.00 C ATOM 1121 CG2 VAL A 76 0.391 11.282 -26.493 1.00 0.00 C ATOM 0 H VAL A 76 2.821 12.043 -26.944 1.00 0.00 H new ATOM 0 HA VAL A 76 2.732 12.111 -24.039 1.00 0.00 H new ATOM 0 HB VAL A 76 0.378 11.472 -24.353 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.382 13.614 -25.420 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.971 13.869 -24.292 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.266 13.860 -26.047 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.661 11.539 -26.619 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.962 11.664 -27.339 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.496 10.198 -26.443 1.00 0.00 H new ATOM 1131 N LYS A 77 3.531 9.417 -25.363 1.00 0.00 N ATOM 1132 CA LYS A 77 3.968 8.015 -25.156 1.00 0.00 C ATOM 1133 C LYS A 77 2.833 6.977 -25.023 1.00 0.00 C ATOM 1134 O LYS A 77 2.959 5.998 -24.292 1.00 0.00 O ATOM 1135 CB LYS A 77 4.980 7.957 -23.987 1.00 0.00 C ATOM 1136 CG LYS A 77 6.226 8.832 -24.213 1.00 0.00 C ATOM 1137 CD LYS A 77 7.234 8.756 -23.052 1.00 0.00 C ATOM 1138 CE LYS A 77 7.825 7.360 -22.783 1.00 0.00 C ATOM 1139 NZ LYS A 77 8.709 6.883 -23.889 1.00 0.00 N ATOM 0 H LYS A 77 4.014 9.854 -26.148 1.00 0.00 H new ATOM 0 HA LYS A 77 4.461 7.706 -26.078 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.483 8.275 -23.070 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.293 6.924 -23.838 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.718 8.522 -25.135 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.916 9.868 -24.350 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.053 9.445 -23.258 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.744 9.106 -22.144 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.394 7.384 -21.854 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.012 6.648 -22.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.079 5.940 -23.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.163 6.832 -24.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.502 7.545 -24.010 1.00 0.00 H new ATOM 1153 N GLY A 78 1.690 7.204 -25.681 1.00 0.00 N ATOM 1154 CA GLY A 78 0.494 6.352 -25.551 1.00 0.00 C ATOM 1155 C GLY A 78 -0.065 6.263 -24.117 1.00 0.00 C ATOM 1156 O GLY A 78 -0.679 5.257 -23.757 1.00 0.00 O ATOM 0 H GLY A 78 1.565 7.987 -26.323 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.285 6.736 -26.210 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.738 5.348 -25.897 1.00 0.00 H new ATOM 1160 N MET A 79 0.193 7.285 -23.287 1.00 0.00 N ATOM 1161 CA MET A 79 -0.083 7.335 -21.841 1.00 0.00 C ATOM 1162 C MET A 79 0.641 6.248 -21.008 1.00 0.00 C ATOM 1163 O MET A 79 0.231 5.943 -19.885 1.00 0.00 O ATOM 1164 CB MET A 79 -1.604 7.437 -21.596 1.00 0.00 C ATOM 1165 CG MET A 79 -1.963 8.161 -20.290 1.00 0.00 C ATOM 1166 SD MET A 79 -3.743 8.396 -20.009 1.00 0.00 S ATOM 1167 CE MET A 79 -4.260 6.685 -19.691 1.00 0.00 C ATOM 0 H MET A 79 0.623 8.146 -23.624 1.00 0.00 H new ATOM 0 HA MET A 79 0.368 8.248 -21.452 1.00 0.00 H new ATOM 0 HB2 MET A 79 -2.065 7.962 -22.433 1.00 0.00 H new ATOM 0 HB3 MET A 79 -2.030 6.434 -21.576 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.549 7.597 -19.454 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.478 9.137 -20.288 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.309 6.671 -19.395 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.130 6.092 -20.596 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.652 6.264 -18.891 1.00 0.00 H new ATOM 1177 N LEU A 80 1.731 5.671 -21.533 1.00 0.00 N ATOM 1178 CA LEU A 80 2.599 4.711 -20.842 1.00 0.00 C ATOM 1179 C LEU A 80 3.916 5.383 -20.410 1.00 0.00 C ATOM 1180 O LEU A 80 4.647 5.932 -21.237 1.00 0.00 O ATOM 1181 CB LEU A 80 2.825 3.491 -21.759 1.00 0.00 C ATOM 1182 CG LEU A 80 3.714 2.386 -21.155 1.00 0.00 C ATOM 1183 CD1 LEU A 80 3.099 1.754 -19.904 1.00 0.00 C ATOM 1184 CD2 LEU A 80 3.925 1.278 -22.191 1.00 0.00 C ATOM 0 H LEU A 80 2.042 5.868 -22.484 1.00 0.00 H new ATOM 0 HA LEU A 80 2.121 4.361 -19.927 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.856 3.061 -22.013 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.276 3.833 -22.691 1.00 0.00 H new ATOM 0 HG LEU A 80 4.656 2.856 -20.874 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.767 0.983 -19.520 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.955 2.520 -19.143 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.137 1.308 -20.157 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.554 0.496 -21.765 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.961 0.855 -22.473 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.411 1.693 -23.074 1.00 0.00 H new ATOM 1196 N TYR A 81 4.227 5.310 -19.113 1.00 0.00 N ATOM 1197 CA TYR A 81 5.407 5.935 -18.495 1.00 0.00 C ATOM 1198 C TYR A 81 6.133 4.966 -17.541 1.00 0.00 C ATOM 1199 O TYR A 81 5.511 4.093 -16.933 1.00 0.00 O ATOM 1200 CB TYR A 81 4.984 7.221 -17.766 1.00 0.00 C ATOM 1201 CG TYR A 81 4.321 8.267 -18.652 1.00 0.00 C ATOM 1202 CD1 TYR A 81 5.109 9.107 -19.463 1.00 0.00 C ATOM 1203 CD2 TYR A 81 2.918 8.406 -18.658 1.00 0.00 C ATOM 1204 CE1 TYR A 81 4.500 10.084 -20.275 1.00 0.00 C ATOM 1205 CE2 TYR A 81 2.304 9.385 -19.464 1.00 0.00 C ATOM 1206 CZ TYR A 81 3.095 10.229 -20.275 1.00 0.00 C ATOM 1207 OH TYR A 81 2.517 11.198 -21.042 1.00 0.00 O ATOM 0 H TYR A 81 3.651 4.801 -18.442 1.00 0.00 H new ATOM 0 HA TYR A 81 6.116 6.189 -19.283 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.297 6.957 -16.962 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.864 7.664 -17.300 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.184 9.002 -19.462 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.311 7.759 -18.042 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.108 10.723 -20.898 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.229 9.490 -19.462 1.00 0.00 H new ATOM 0 HH TYR A 81 2.286 10.827 -21.919 1.00 0.00 H new ATOM 1217 N ASP A 82 7.455 5.123 -17.406 1.00 0.00 N ATOM 1218 CA ASP A 82 8.333 4.226 -16.637 1.00 0.00 C ATOM 1219 C ASP A 82 9.456 5.009 -15.920 1.00 0.00 C ATOM 1220 O ASP A 82 10.651 4.766 -16.121 1.00 0.00 O ATOM 1221 CB ASP A 82 8.853 3.119 -17.575 1.00 0.00 C ATOM 1222 CG ASP A 82 9.659 2.031 -16.841 1.00 0.00 C ATOM 1223 OD1 ASP A 82 9.275 1.633 -15.712 1.00 0.00 O ATOM 1224 OD2 ASP A 82 10.657 1.526 -17.412 1.00 0.00 O ATOM 0 H ASP A 82 7.959 5.897 -17.839 1.00 0.00 H new ATOM 0 HA ASP A 82 7.771 3.748 -15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.007 2.655 -18.083 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.480 3.569 -18.345 1.00 0.00 H new ATOM 1229 N SER A 83 9.063 6.006 -15.119 1.00 0.00 N ATOM 1230 CA SER A 83 9.967 6.884 -14.358 1.00 0.00 C ATOM 1231 C SER A 83 9.384 7.273 -12.991 1.00 0.00 C ATOM 1232 O SER A 83 8.165 7.374 -12.822 1.00 0.00 O ATOM 1233 CB SER A 83 10.279 8.144 -15.175 1.00 0.00 C ATOM 1234 OG SER A 83 11.249 8.941 -14.510 1.00 0.00 O ATOM 0 H SER A 83 8.079 6.233 -14.976 1.00 0.00 H new ATOM 0 HA SER A 83 10.886 6.328 -14.172 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.646 7.863 -16.162 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.367 8.722 -15.326 1.00 0.00 H new ATOM 0 HG SER A 83 11.438 9.740 -15.045 1.00 0.00 H new ATOM 1240 N ASP A 84 10.265 7.521 -12.016 1.00 0.00 N ATOM 1241 CA ASP A 84 9.930 7.961 -10.652 1.00 0.00 C ATOM 1242 C ASP A 84 10.102 9.481 -10.453 1.00 0.00 C ATOM 1243 O ASP A 84 10.049 9.965 -9.324 1.00 0.00 O ATOM 1244 CB ASP A 84 10.752 7.152 -9.631 1.00 0.00 C ATOM 1245 CG ASP A 84 10.409 5.652 -9.675 1.00 0.00 C ATOM 1246 OD1 ASP A 84 9.309 5.268 -9.203 1.00 0.00 O ATOM 1247 OD2 ASP A 84 11.240 4.848 -10.160 1.00 0.00 O ATOM 0 H ASP A 84 11.270 7.418 -12.158 1.00 0.00 H new ATOM 0 HA ASP A 84 8.870 7.765 -10.488 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.815 7.287 -9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.566 7.537 -8.629 1.00 0.00 H new ATOM 1252 N SER A 85 10.300 10.248 -11.532 1.00 0.00 N ATOM 1253 CA SER A 85 10.651 11.683 -11.538 1.00 0.00 C ATOM 1254 C SER A 85 9.821 12.542 -10.575 1.00 0.00 C ATOM 1255 O SER A 85 10.383 13.298 -9.779 1.00 0.00 O ATOM 1256 CB SER A 85 10.490 12.224 -12.971 1.00 0.00 C ATOM 1257 OG SER A 85 9.195 11.923 -13.476 1.00 0.00 O ATOM 0 H SER A 85 10.217 9.870 -12.476 1.00 0.00 H new ATOM 0 HA SER A 85 11.681 11.753 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.648 13.303 -12.978 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.250 11.786 -13.618 1.00 0.00 H new ATOM 0 HG SER A 85 9.109 12.275 -14.386 1.00 0.00 H new ATOM 1263 N GLN A 86 8.495 12.377 -10.575 1.00 0.00 N ATOM 1264 CA GLN A 86 7.586 13.140 -9.708 1.00 0.00 C ATOM 1265 C GLN A 86 7.714 12.746 -8.226 1.00 0.00 C ATOM 1266 O GLN A 86 7.678 13.617 -7.360 1.00 0.00 O ATOM 1267 CB GLN A 86 6.137 12.982 -10.196 1.00 0.00 C ATOM 1268 CG GLN A 86 5.917 13.592 -11.590 1.00 0.00 C ATOM 1269 CD GLN A 86 4.450 13.526 -12.010 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.687 14.471 -11.855 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.989 12.414 -12.541 1.00 0.00 N ATOM 0 H GLN A 86 8.018 11.708 -11.179 1.00 0.00 H new ATOM 0 HA GLN A 86 7.874 14.189 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.879 11.923 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.463 13.458 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.249 14.630 -11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.529 13.062 -12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.611 11.617 -12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.009 12.348 -12.817 1.00 0.00 H new ATOM 1280 N GLN A 87 7.930 11.463 -7.917 1.00 0.00 N ATOM 1281 CA GLN A 87 8.100 11.001 -6.530 1.00 0.00 C ATOM 1282 C GLN A 87 9.504 11.323 -5.984 1.00 0.00 C ATOM 1283 O GLN A 87 9.639 11.709 -4.823 1.00 0.00 O ATOM 1284 CB GLN A 87 7.752 9.505 -6.444 1.00 0.00 C ATOM 1285 CG GLN A 87 7.458 9.041 -5.003 1.00 0.00 C ATOM 1286 CD GLN A 87 6.177 9.654 -4.433 1.00 0.00 C ATOM 1287 OE1 GLN A 87 6.194 10.659 -3.735 1.00 0.00 O ATOM 1288 NE2 GLN A 87 5.018 9.106 -4.727 1.00 0.00 N ATOM 0 H GLN A 87 7.992 10.719 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 87 7.410 11.546 -5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.883 9.302 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.579 8.921 -6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.374 7.954 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.299 9.306 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.983 8.268 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.155 9.519 -4.375 1.00 0.00 H new ATOM 1297 N ILE A 88 10.533 11.269 -6.840 1.00 0.00 N ATOM 1298 CA ILE A 88 11.888 11.761 -6.525 1.00 0.00 C ATOM 1299 C ILE A 88 11.823 13.254 -6.184 1.00 0.00 C ATOM 1300 O ILE A 88 12.318 13.654 -5.134 1.00 0.00 O ATOM 1301 CB ILE A 88 12.863 11.462 -7.694 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.089 9.945 -7.901 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.220 12.176 -7.528 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.011 9.257 -6.885 1.00 0.00 C ATOM 0 H ILE A 88 10.451 10.880 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 88 12.277 11.236 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 88 12.376 11.859 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.120 9.447 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.502 9.792 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.865 11.933 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.062 13.254 -7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.694 11.846 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.095 8.198 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.998 9.717 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.595 9.367 -5.884 1.00 0.00 H new ATOM 1316 N LEU A 89 11.144 14.070 -7.003 1.00 0.00 N ATOM 1317 CA LEU A 89 10.925 15.490 -6.700 1.00 0.00 C ATOM 1318 C LEU A 89 10.132 15.686 -5.403 1.00 0.00 C ATOM 1319 O LEU A 89 10.541 16.487 -4.572 1.00 0.00 O ATOM 1320 CB LEU A 89 10.237 16.175 -7.900 1.00 0.00 C ATOM 1321 CG LEU A 89 9.903 17.668 -7.705 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.126 18.513 -7.337 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.311 18.230 -8.998 1.00 0.00 C ATOM 0 H LEU A 89 10.735 13.767 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 89 11.894 15.961 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.882 16.075 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.314 15.639 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 89 9.194 17.723 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.826 19.553 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.555 18.146 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.870 18.442 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.075 19.285 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.034 18.122 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.402 17.684 -9.249 1.00 0.00 H new ATOM 1335 N ASN A 90 9.050 14.938 -5.187 1.00 0.00 N ATOM 1336 CA ASN A 90 8.231 15.059 -3.978 1.00 0.00 C ATOM 1337 C ASN A 90 9.047 14.805 -2.698 1.00 0.00 C ATOM 1338 O ASN A 90 9.066 15.650 -1.805 1.00 0.00 O ATOM 1339 CB ASN A 90 7.027 14.107 -4.104 1.00 0.00 C ATOM 1340 CG ASN A 90 6.036 14.259 -2.960 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.769 15.353 -2.483 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.462 13.173 -2.492 1.00 0.00 N ATOM 0 H ASN A 90 8.716 14.232 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 90 7.868 16.083 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.517 14.296 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.385 13.078 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.790 13.240 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.688 12.263 -2.894 1.00 0.00 H new ATOM 1349 N ARG A 91 9.801 13.698 -2.626 1.00 0.00 N ATOM 1350 CA ARG A 91 10.617 13.374 -1.437 1.00 0.00 C ATOM 1351 C ARG A 91 11.843 14.283 -1.290 1.00 0.00 C ATOM 1352 O ARG A 91 12.192 14.647 -0.170 1.00 0.00 O ATOM 1353 CB ARG A 91 10.935 11.864 -1.445 1.00 0.00 C ATOM 1354 CG ARG A 91 11.656 11.406 -0.163 1.00 0.00 C ATOM 1355 CD ARG A 91 11.564 9.886 0.052 1.00 0.00 C ATOM 1356 NE ARG A 91 10.174 9.478 0.382 1.00 0.00 N ATOM 1357 CZ ARG A 91 9.582 9.490 1.568 1.00 0.00 C ATOM 1358 NH1 ARG A 91 10.214 9.822 2.657 1.00 0.00 N ATOM 1359 NH2 ARG A 91 8.329 9.164 1.680 1.00 0.00 N ATOM 0 H ARG A 91 9.865 13.009 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 91 10.043 13.585 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.008 11.301 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.556 11.631 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.704 11.700 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.223 11.918 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.895 9.367 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.235 9.588 0.857 1.00 0.00 H new ATOM 0 HE ARG A 91 9.606 9.149 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.199 10.085 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.724 9.819 3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.796 8.897 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.879 9.175 2.595 1.00 0.00 H new ATOM 1373 N LEU A 92 12.429 14.747 -2.397 1.00 0.00 N ATOM 1374 CA LEU A 92 13.497 15.758 -2.370 1.00 0.00 C ATOM 1375 C LEU A 92 12.975 17.119 -1.870 1.00 0.00 C ATOM 1376 O LEU A 92 13.642 17.772 -1.074 1.00 0.00 O ATOM 1377 CB LEU A 92 14.102 15.840 -3.784 1.00 0.00 C ATOM 1378 CG LEU A 92 15.286 16.807 -3.951 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.508 16.394 -3.131 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.674 16.835 -5.427 1.00 0.00 C ATOM 0 H LEU A 92 12.180 14.436 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 92 14.274 15.470 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.428 14.842 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.316 16.135 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 92 14.970 17.787 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.312 17.113 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.245 16.369 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.840 15.404 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.513 17.516 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.961 15.833 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.825 17.176 -6.020 1.00 0.00 H new ATOM 1392 N ARG A 93 11.758 17.513 -2.261 1.00 0.00 N ATOM 1393 CA ARG A 93 11.100 18.748 -1.804 1.00 0.00 C ATOM 1394 C ARG A 93 10.728 18.666 -0.323 1.00 0.00 C ATOM 1395 O ARG A 93 10.944 19.632 0.395 1.00 0.00 O ATOM 1396 CB ARG A 93 9.883 19.014 -2.710 1.00 0.00 C ATOM 1397 CG ARG A 93 9.126 20.322 -2.389 1.00 0.00 C ATOM 1398 CD ARG A 93 7.686 20.341 -2.940 1.00 0.00 C ATOM 1399 NE ARG A 93 6.872 19.191 -2.475 1.00 0.00 N ATOM 1400 CZ ARG A 93 6.562 18.859 -1.234 1.00 0.00 C ATOM 1401 NH1 ARG A 93 6.805 19.609 -0.201 1.00 0.00 N ATOM 1402 NH2 ARG A 93 6.010 17.722 -0.950 1.00 0.00 N ATOM 0 H ARG A 93 11.190 16.975 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 93 11.786 19.591 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.217 19.046 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.191 18.177 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.097 20.461 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.678 21.165 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.200 21.269 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.720 20.338 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 93 6.506 18.580 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.261 20.513 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.540 19.294 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.803 17.055 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.782 17.493 0.018 1.00 0.00 H new ATOM 1416 N GLU A 94 10.260 17.519 0.169 1.00 0.00 N ATOM 1417 CA GLU A 94 10.047 17.319 1.612 1.00 0.00 C ATOM 1418 C GLU A 94 11.367 17.459 2.393 1.00 0.00 C ATOM 1419 O GLU A 94 11.441 18.260 3.327 1.00 0.00 O ATOM 1420 CB GLU A 94 9.416 15.941 1.876 1.00 0.00 C ATOM 1421 CG GLU A 94 7.960 15.837 1.410 1.00 0.00 C ATOM 1422 CD GLU A 94 7.004 16.675 2.286 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.800 16.330 3.474 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.441 17.677 1.780 1.00 0.00 O ATOM 0 H GLU A 94 10.020 16.711 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 94 9.363 18.093 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.007 15.177 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.464 15.727 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.887 16.171 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.648 14.793 1.431 1.00 0.00 H new ATOM 1431 N ARG A 95 12.428 16.751 1.969 1.00 0.00 N ATOM 1432 CA ARG A 95 13.740 16.773 2.649 1.00 0.00 C ATOM 1433 C ARG A 95 14.411 18.155 2.644 1.00 0.00 C ATOM 1434 O ARG A 95 15.037 18.532 3.637 1.00 0.00 O ATOM 1435 CB ARG A 95 14.631 15.685 2.019 1.00 0.00 C ATOM 1436 CG ARG A 95 16.020 15.590 2.680 1.00 0.00 C ATOM 1437 CD ARG A 95 16.715 14.259 2.364 1.00 0.00 C ATOM 1438 NE ARG A 95 16.067 13.145 3.086 1.00 0.00 N ATOM 1439 CZ ARG A 95 16.153 11.855 2.820 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.875 11.364 1.858 1.00 0.00 N ATOM 1441 NH2 ARG A 95 15.508 10.980 3.523 1.00 0.00 N ATOM 0 H ARG A 95 12.403 16.148 1.147 1.00 0.00 H new ATOM 0 HA ARG A 95 13.586 16.557 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.129 14.721 2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.754 15.893 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.643 16.415 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.916 15.698 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.681 14.072 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.767 14.317 2.644 1.00 0.00 H new ATOM 0 HE ARG A 95 15.485 13.403 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.417 11.986 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.900 10.356 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.920 11.283 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.588 9.988 3.301 1.00 0.00 H new ATOM 1455 N VAL A 96 14.275 18.911 1.549 1.00 0.00 N ATOM 1456 CA VAL A 96 14.912 20.231 1.384 1.00 0.00 C ATOM 1457 C VAL A 96 14.051 21.380 1.921 1.00 0.00 C ATOM 1458 O VAL A 96 14.573 22.259 2.612 1.00 0.00 O ATOM 1459 CB VAL A 96 15.268 20.459 -0.097 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.793 21.872 -0.380 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.368 19.475 -0.508 1.00 0.00 C ATOM 0 H VAL A 96 13.717 18.626 0.744 1.00 0.00 H new ATOM 0 HA VAL A 96 15.824 20.228 1.981 1.00 0.00 H new ATOM 0 HB VAL A 96 14.347 20.314 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.026 21.968 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.033 22.604 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.694 22.050 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.624 19.632 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.251 19.638 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.013 18.454 -0.371 1.00 0.00 H new ATOM 1471 N SER A 97 12.751 21.375 1.616 1.00 0.00 N ATOM 1472 CA SER A 97 11.845 22.509 1.854 1.00 0.00 C ATOM 1473 C SER A 97 10.842 22.301 3.004 1.00 0.00 C ATOM 1474 O SER A 97 10.204 23.269 3.423 1.00 0.00 O ATOM 1475 CB SER A 97 11.101 22.875 0.561 1.00 0.00 C ATOM 1476 OG SER A 97 12.010 23.064 -0.519 1.00 0.00 O ATOM 0 H SER A 97 12.288 20.572 1.190 1.00 0.00 H new ATOM 0 HA SER A 97 12.486 23.332 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.392 22.086 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.522 23.785 0.716 1.00 0.00 H new ATOM 0 HG SER A 97 11.511 23.294 -1.330 1.00 0.00 H new ATOM 1482 N GLY A 98 10.684 21.077 3.533 1.00 0.00 N ATOM 1483 CA GLY A 98 9.801 20.797 4.676 1.00 0.00 C ATOM 1484 C GLY A 98 10.299 21.399 5.999 1.00 0.00 C ATOM 1485 O GLY A 98 11.507 21.530 6.227 1.00 0.00 O ATOM 0 H GLY A 98 11.167 20.251 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.806 21.187 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.702 19.718 4.792 1.00 0.00 H new ATOM 1489 N SER A 99 9.366 21.763 6.885 1.00 0.00 N ATOM 1490 CA SER A 99 9.646 22.349 8.206 1.00 0.00 C ATOM 1491 C SER A 99 9.942 21.287 9.284 1.00 0.00 C ATOM 1492 O SER A 99 9.545 20.123 9.168 1.00 0.00 O ATOM 1493 CB SER A 99 8.494 23.272 8.633 1.00 0.00 C ATOM 1494 OG SER A 99 7.260 22.565 8.687 1.00 0.00 O ATOM 0 H SER A 99 8.368 21.657 6.701 1.00 0.00 H new ATOM 0 HA SER A 99 10.556 22.941 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.713 23.702 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.410 24.102 7.931 1.00 0.00 H new ATOM 0 HG SER A 99 6.545 23.176 8.963 1.00 0.00 H new ATOM 1500 N THR A 100 10.651 21.692 10.346 1.00 0.00 N ATOM 1501 CA THR A 100 11.093 20.821 11.457 1.00 0.00 C ATOM 1502 C THR A 100 10.209 20.894 12.713 1.00 0.00 C ATOM 1503 O THR A 100 10.399 20.109 13.647 1.00 0.00 O ATOM 1504 CB THR A 100 12.552 21.134 11.836 1.00 0.00 C ATOM 1505 OG1 THR A 100 12.691 22.512 12.134 1.00 0.00 O ATOM 1506 CG2 THR A 100 13.521 20.800 10.699 1.00 0.00 C ATOM 0 H THR A 100 10.944 22.662 10.465 1.00 0.00 H new ATOM 0 HA THR A 100 11.003 19.803 11.079 1.00 0.00 H new ATOM 0 HB THR A 100 12.793 20.520 12.704 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.621 22.702 12.376 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.539 21.036 11.008 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.451 19.739 10.461 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.264 21.387 9.818 1.00 0.00 H new ATOM 1514 N ALA A 101 9.234 21.812 12.757 1.00 0.00 N ATOM 1515 CA ALA A 101 8.341 22.016 13.901 1.00 0.00 C ATOM 1516 C ALA A 101 7.293 20.892 14.068 1.00 0.00 C ATOM 1517 O ALA A 101 6.885 20.247 13.096 1.00 0.00 O ATOM 1518 CB ALA A 101 7.684 23.398 13.767 1.00 0.00 C ATOM 0 H ALA A 101 9.042 22.446 11.981 1.00 0.00 H new ATOM 0 HA ALA A 101 8.937 21.976 14.813 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.015 23.566 14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.455 24.168 13.756 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.114 23.442 12.839 1.00 0.00 H new ATOM 1524 N GLN A 102 6.835 20.682 15.308 1.00 0.00 N ATOM 1525 CA GLN A 102 5.797 19.708 15.681 1.00 0.00 C ATOM 1526 C GLN A 102 4.990 20.150 16.921 1.00 0.00 C ATOM 1527 O GLN A 102 5.388 21.071 17.639 1.00 0.00 O ATOM 1528 CB GLN A 102 6.441 18.323 15.926 1.00 0.00 C ATOM 1529 CG GLN A 102 7.431 18.288 17.103 1.00 0.00 C ATOM 1530 CD GLN A 102 7.733 16.856 17.540 1.00 0.00 C ATOM 1531 OE1 GLN A 102 8.724 16.249 17.152 1.00 0.00 O ATOM 1532 NE2 GLN A 102 6.890 16.255 18.354 1.00 0.00 N ATOM 0 H GLN A 102 7.189 21.204 16.110 1.00 0.00 H new ATOM 0 HA GLN A 102 5.094 19.646 14.850 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.651 17.594 16.108 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.960 18.010 15.020 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.358 18.784 16.815 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.018 18.846 17.943 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.061 16.748 18.685 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.066 15.296 18.654 1.00 0.00 H new ATOM 1541 N SER A 103 3.889 19.441 17.197 1.00 0.00 N ATOM 1542 CA SER A 103 3.110 19.527 18.449 1.00 0.00 C ATOM 1543 C SER A 103 2.590 20.934 18.807 1.00 0.00 C ATOM 1544 O SER A 103 2.461 21.280 19.986 1.00 0.00 O ATOM 1545 CB SER A 103 3.897 18.868 19.600 1.00 0.00 C ATOM 1546 OG SER A 103 4.360 17.567 19.238 1.00 0.00 O ATOM 0 H SER A 103 3.499 18.768 16.537 1.00 0.00 H new ATOM 0 HA SER A 103 2.191 18.967 18.277 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.746 19.496 19.868 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.262 18.797 20.483 1.00 0.00 H new ATOM 0 HG SER A 103 4.715 17.114 20.031 1.00 0.00 H new ATOM 1552 N ALA A 104 2.282 21.747 17.787 1.00 0.00 N ATOM 1553 CA ALA A 104 1.784 23.128 17.891 1.00 0.00 C ATOM 1554 C ALA A 104 0.702 23.433 16.831 1.00 0.00 C ATOM 1555 O ALA A 104 0.879 23.053 15.648 1.00 0.00 O ATOM 1556 CB ALA A 104 2.978 24.092 17.787 1.00 0.00 C ATOM 1557 OXT ALA A 104 -0.330 24.048 17.189 1.00 0.00 O ATOM 0 H ALA A 104 2.378 21.445 16.817 1.00 0.00 H new ATOM 0 HA ALA A 104 1.298 23.262 18.857 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.623 25.120 17.863 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.680 23.890 18.596 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.478 23.950 16.829 1.00 0.00 H new TER 1563 ALA A 104