USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 5 GLN : amide:sc= 0.0221 X(o=0.031,f=-0.0078) USER MOD Set 1.2: A 19 TYR OH : rot 15:sc= 0.00875 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.0865 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.4 K(o=0.31,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.225 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.036 K(o=-0.036,f=-0.56) USER MOD Single : A 21 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.756 K(o=0.76,f=-2.5) USER MOD Single : B 4 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.14) USER MOD Single : B 5 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0147 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -4:sc= 1.06 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.637 1.382 -2.129 1.00 25.00 N ATOM 2 CA GLY A 1 3.271 -0.023 -2.518 1.00 25.00 C ATOM 3 C GLY A 1 2.379 -0.057 -3.744 1.00 25.00 C ATOM 4 O GLY A 1 1.494 0.756 -3.908 1.00 25.00 O ATOM 0 H1 GLY A 1 4.247 1.361 -1.287 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.145 1.838 -2.913 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.773 1.920 -1.917 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.179 -0.593 -2.714 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.762 -0.509 -1.686 1.00 25.00 H new ATOM 9 N ILE A 2 2.675 -1.001 -4.693 1.00 25.00 N ATOM 10 CA ILE A 2 1.980 -1.077 -5.969 1.00 25.00 C ATOM 11 C ILE A 2 0.468 -1.214 -5.661 1.00 25.00 C ATOM 12 O ILE A 2 -0.349 -0.433 -6.153 1.00 25.00 O ATOM 13 CB ILE A 2 2.424 -2.303 -6.807 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.932 -2.696 -6.681 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.026 -2.061 -8.354 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.987 -1.718 -7.226 1.00 25.00 C ATOM 0 H ILE A 2 3.397 -1.711 -4.573 1.00 25.00 H new ATOM 0 HA ILE A 2 2.209 -0.182 -6.548 1.00 25.00 H new ATOM 0 HB ILE A 2 1.889 -3.157 -6.391 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.146 -2.861 -5.625 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.070 -3.651 -7.188 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.336 -2.921 -8.948 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.947 -1.933 -8.436 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.526 -1.166 -8.723 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.983 -2.131 -7.065 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.825 -1.566 -8.293 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.901 -0.764 -6.706 1.00 25.00 H new ATOM 28 N VAL A 3 0.148 -2.181 -4.802 1.00 25.00 N ATOM 29 CA VAL A 3 -1.211 -2.462 -4.404 1.00 25.00 C ATOM 30 C VAL A 3 -1.840 -1.318 -3.656 1.00 25.00 C ATOM 31 O VAL A 3 -3.012 -1.013 -3.831 1.00 25.00 O ATOM 32 CB VAL A 3 -1.249 -3.802 -3.582 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.644 -3.657 -2.115 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.668 -4.351 -3.490 1.00 25.00 C ATOM 0 H VAL A 3 0.839 -2.791 -4.365 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.814 -2.586 -5.303 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.617 -4.500 -4.131 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.700 -4.617 -1.602 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.397 -3.341 -2.180 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.214 -2.914 -1.558 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.663 -5.278 -2.916 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.309 -3.621 -2.995 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -3.048 -4.547 -4.493 1.00 25.00 H new ATOM 44 N GLU A 4 -1.022 -0.571 -2.910 1.00 25.00 N ATOM 45 CA GLU A 4 -1.517 0.585 -2.176 1.00 25.00 C ATOM 46 C GLU A 4 -1.862 1.695 -3.204 1.00 25.00 C ATOM 47 O GLU A 4 -2.824 2.427 -3.003 1.00 25.00 O ATOM 48 CB GLU A 4 -0.477 1.067 -1.171 1.00 25.00 C ATOM 49 CG GLU A 4 -0.139 0.034 -0.113 1.00 25.00 C ATOM 50 CD GLU A 4 -1.361 -0.404 0.654 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.739 -1.550 0.725 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.034 0.553 1.193 1.00 25.00 O ATOM 0 H GLU A 4 -0.023 -0.748 -2.802 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.410 0.320 -1.610 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.433 1.341 -1.704 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.845 1.969 -0.683 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.323 -0.833 -0.586 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.595 0.449 0.578 1.00 25.00 H new ATOM 60 N GLN A 5 -1.086 1.819 -4.252 1.00 25.00 N ATOM 61 CA GLN A 5 -1.361 2.814 -5.264 1.00 25.00 C ATOM 62 C GLN A 5 -2.593 2.498 -6.100 1.00 25.00 C ATOM 63 O GLN A 5 -3.360 3.353 -6.443 1.00 25.00 O ATOM 64 CB GLN A 5 -0.161 2.967 -6.208 1.00 25.00 C ATOM 65 CG GLN A 5 -0.194 4.253 -7.050 1.00 25.00 C ATOM 66 CD GLN A 5 0.357 5.426 -6.321 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.346 6.145 -5.635 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.619 5.613 -6.426 1.00 25.00 N ATOM 0 H GLN A 5 -0.261 1.246 -4.428 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.551 3.741 -4.723 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.756 2.953 -5.620 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.125 2.107 -6.877 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.376 4.098 -7.966 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.222 4.463 -7.346 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.180 4.992 -7.009 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.064 6.383 -5.926 1.00 25.00 H new ATOM 77 N CYS A 6 -2.733 1.210 -6.472 1.00 25.00 N ATOM 78 CA CYS A 6 -3.769 0.797 -7.405 1.00 25.00 C ATOM 79 C CYS A 6 -5.068 0.158 -6.895 1.00 25.00 C ATOM 80 O CYS A 6 -6.092 0.173 -7.597 1.00 25.00 O ATOM 81 CB CYS A 6 -3.143 -0.147 -8.413 1.00 25.00 C ATOM 82 SG CYS A 6 -1.731 0.621 -9.246 1.00 25.00 S ATOM 0 H CYS A 6 -2.140 0.451 -6.136 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.122 1.751 -7.796 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.819 -1.058 -7.909 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.889 -0.440 -9.152 1.00 25.00 H new ATOM 87 N CYS A 7 -5.079 -0.418 -5.695 1.00 25.00 N ATOM 88 CA CYS A 7 -6.288 -1.069 -5.199 1.00 25.00 C ATOM 89 C CYS A 7 -7.262 0.004 -4.693 1.00 25.00 C ATOM 90 O CYS A 7 -8.439 -0.261 -4.424 1.00 25.00 O ATOM 91 CB CYS A 7 -5.944 -2.050 -4.074 1.00 25.00 C ATOM 92 SG CYS A 7 -7.184 -3.342 -3.676 1.00 25.00 S ATOM 0 H CYS A 7 -4.282 -0.448 -5.060 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.755 -1.632 -6.007 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.010 -2.548 -4.334 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.756 -1.473 -3.169 1.00 25.00 H new ATOM 97 N THR A 8 -6.803 1.211 -4.555 1.00 25.00 N ATOM 98 CA THR A 8 -7.689 2.300 -4.188 1.00 25.00 C ATOM 99 C THR A 8 -7.621 3.342 -5.271 1.00 25.00 C ATOM 100 O THR A 8 -6.615 3.433 -6.016 1.00 25.00 O ATOM 101 CB THR A 8 -7.315 2.855 -2.852 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.343 3.774 -2.475 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.964 3.630 -2.841 1.00 25.00 C ATOM 0 H THR A 8 -5.827 1.477 -4.688 1.00 25.00 H new ATOM 0 HA THR A 8 -8.716 1.945 -4.099 1.00 25.00 H new ATOM 0 HB THR A 8 -7.203 2.013 -2.169 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.132 4.159 -1.599 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.765 4.000 -1.835 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.159 2.962 -3.147 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.021 4.471 -3.533 1.00 25.00 H new ATOM 111 N SER A 9 -8.715 4.077 -5.433 1.00 25.00 N ATOM 112 CA SER A 9 -8.844 4.992 -6.548 1.00 25.00 C ATOM 113 C SER A 9 -8.454 4.286 -7.893 1.00 25.00 C ATOM 114 O SER A 9 -8.666 3.088 -8.053 1.00 25.00 O ATOM 115 CB SER A 9 -8.014 6.235 -6.286 1.00 25.00 C ATOM 116 OG SER A 9 -8.353 7.281 -7.175 1.00 25.00 O ATOM 0 H SER A 9 -9.519 4.054 -4.806 1.00 25.00 H new ATOM 0 HA SER A 9 -9.884 5.301 -6.648 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.166 6.566 -5.259 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.956 5.996 -6.390 1.00 25.00 H new ATOM 0 HG SER A 9 -7.802 8.068 -6.980 1.00 25.00 H new ATOM 122 N ILE A 10 -7.906 5.013 -8.838 1.00 25.00 N ATOM 123 CA ILE A 10 -7.475 4.452 -10.133 1.00 25.00 C ATOM 124 C ILE A 10 -6.059 4.972 -10.357 1.00 25.00 C ATOM 125 O ILE A 10 -5.868 6.184 -10.555 1.00 25.00 O ATOM 126 CB ILE A 10 -8.436 4.954 -11.325 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.925 4.674 -10.993 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.062 4.302 -12.671 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.312 3.162 -10.973 1.00 25.00 C ATOM 0 H ILE A 10 -7.738 6.015 -8.747 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.517 3.363 -10.123 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.294 6.030 -11.420 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.154 5.107 -10.020 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.550 5.186 -11.725 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.732 4.665 -13.450 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.034 4.560 -12.927 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.155 3.219 -12.589 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.370 3.060 -10.733 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.119 2.724 -11.952 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.718 2.644 -10.220 1.00 25.00 H new ATOM 141 N CYS A 11 -5.077 4.072 -10.331 1.00 25.00 N ATOM 142 CA CYS A 11 -3.678 4.443 -10.640 1.00 25.00 C ATOM 143 C CYS A 11 -3.441 4.439 -12.150 1.00 25.00 C ATOM 144 O CYS A 11 -4.211 3.842 -12.903 1.00 25.00 O ATOM 145 CB CYS A 11 -2.665 3.506 -9.946 1.00 25.00 C ATOM 146 SG CYS A 11 -2.625 1.797 -10.660 1.00 25.00 S ATOM 0 H CYS A 11 -5.212 3.087 -10.103 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.521 5.450 -10.254 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.669 3.944 -10.018 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.909 3.442 -8.886 1.00 25.00 H new ATOM 151 N SER A 12 -2.400 5.139 -12.593 1.00 25.00 N ATOM 152 CA SER A 12 -2.123 5.278 -14.024 1.00 25.00 C ATOM 153 C SER A 12 -1.006 4.373 -14.477 1.00 25.00 C ATOM 154 O SER A 12 -0.119 4.019 -13.705 1.00 25.00 O ATOM 155 CB SER A 12 -1.761 6.725 -14.305 1.00 25.00 C ATOM 156 OG SER A 12 -0.554 7.147 -13.760 1.00 25.00 O ATOM 0 H SER A 12 -1.735 5.618 -11.986 1.00 25.00 H new ATOM 0 HA SER A 12 -3.015 4.987 -14.579 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.725 6.871 -15.385 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.557 7.363 -13.923 1.00 25.00 H new ATOM 0 HG SER A 12 -0.401 8.087 -13.992 1.00 25.00 H new ATOM 162 N LEU A 13 -1.004 3.998 -15.749 1.00 25.00 N ATOM 163 CA LEU A 13 0.090 3.146 -16.282 1.00 25.00 C ATOM 164 C LEU A 13 1.352 3.996 -16.267 1.00 25.00 C ATOM 165 O LEU A 13 2.553 3.440 -16.207 1.00 25.00 O ATOM 166 CB LEU A 13 -0.197 2.675 -17.713 1.00 25.00 C ATOM 167 CG LEU A 13 -1.539 1.919 -17.796 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.914 1.605 -19.230 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.540 0.664 -16.967 1.00 25.00 C ATOM 0 H LEU A 13 -1.720 4.254 -16.429 1.00 25.00 H new ATOM 0 HA LEU A 13 0.192 2.250 -15.669 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.219 3.534 -18.383 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.610 2.026 -18.053 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.293 2.588 -17.382 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.865 1.072 -19.249 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.007 2.533 -19.793 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.140 0.983 -19.681 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.506 0.168 -17.059 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.754 -0.005 -17.318 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.360 0.918 -15.922 1.00 25.00 H new ATOM 181 N TYR A 14 1.290 5.310 -16.213 1.00 25.00 N ATOM 182 CA TYR A 14 2.447 6.146 -16.034 1.00 25.00 C ATOM 183 C TYR A 14 3.087 5.882 -14.706 1.00 25.00 C ATOM 184 O TYR A 14 4.272 5.780 -14.536 1.00 25.00 O ATOM 185 CB TYR A 14 2.072 7.636 -16.220 1.00 25.00 C ATOM 186 CG TYR A 14 3.331 8.523 -16.187 1.00 25.00 C ATOM 187 CD1 TYR A 14 4.050 8.728 -17.316 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.711 9.059 -14.980 1.00 25.00 C ATOM 189 CE1 TYR A 14 5.176 9.505 -17.337 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.989 9.961 -14.879 1.00 25.00 C ATOM 191 CZ TYR A 14 5.647 10.109 -16.246 1.00 25.00 C ATOM 192 OH TYR A 14 6.725 10.879 -16.339 1.00 25.00 O ATOM 0 H TYR A 14 0.417 5.831 -16.294 1.00 25.00 H new ATOM 0 HA TYR A 14 3.184 5.901 -16.799 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.552 7.769 -17.169 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.384 7.944 -15.433 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.723 8.261 -18.233 1.00 25.00 H new ATOM 0 HD2 TYR A 14 3.125 8.857 -14.095 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.702 9.634 -18.271 1.00 25.00 H new ATOM 0 HE2 TYR A 14 5.352 10.414 -13.968 1.00 25.00 H new ATOM 0 HH TYR A 14 6.941 11.248 -15.457 1.00 25.00 H new ATOM 202 N GLN A 15 2.232 5.777 -13.702 1.00 25.00 N ATOM 203 CA GLN A 15 2.641 5.502 -12.293 1.00 25.00 C ATOM 204 C GLN A 15 3.201 4.079 -12.155 1.00 25.00 C ATOM 205 O GLN A 15 4.199 3.852 -11.584 1.00 25.00 O ATOM 206 CB GLN A 15 1.461 5.659 -11.295 1.00 25.00 C ATOM 207 CG GLN A 15 1.101 7.106 -10.978 1.00 25.00 C ATOM 208 CD GLN A 15 -0.123 7.224 -10.062 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.169 6.685 -10.346 1.00 25.00 O ATOM 210 NE2 GLN A 15 0.063 7.836 -8.932 1.00 25.00 N ATOM 0 H GLN A 15 1.224 5.877 -13.820 1.00 25.00 H new ATOM 0 HA GLN A 15 3.408 6.238 -12.050 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.584 5.159 -11.705 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.714 5.147 -10.367 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.953 7.593 -10.503 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.906 7.640 -11.908 1.00 25.00 H new ATOM 0 HE21 GLN A 15 0.961 8.277 -8.733 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -0.689 7.875 -8.244 1.00 25.00 H new ATOM 219 N LEU A 16 2.565 3.119 -12.822 1.00 25.00 N ATOM 220 CA LEU A 16 3.079 1.731 -12.868 1.00 25.00 C ATOM 221 C LEU A 16 4.490 1.717 -13.482 1.00 25.00 C ATOM 222 O LEU A 16 5.315 0.997 -13.038 1.00 25.00 O ATOM 223 CB LEU A 16 2.157 0.823 -13.701 1.00 25.00 C ATOM 224 CG LEU A 16 0.801 0.351 -13.108 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.210 -0.735 -14.008 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.949 -0.176 -11.712 1.00 25.00 C ATOM 0 H LEU A 16 1.697 3.264 -13.339 1.00 25.00 H new ATOM 0 HA LEU A 16 3.112 1.351 -11.847 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.941 1.346 -14.633 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.727 -0.069 -13.961 1.00 25.00 H new ATOM 0 HG LEU A 16 0.135 1.213 -13.063 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.742 -1.070 -13.597 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.051 -0.332 -15.008 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.899 -1.578 -14.062 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.024 -0.494 -11.338 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.632 -1.025 -11.714 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.347 0.608 -11.067 1.00 25.00 H new ATOM 238 N GLU A 17 4.755 2.526 -14.521 1.00 25.00 N ATOM 239 CA GLU A 17 6.079 2.583 -15.120 1.00 25.00 C ATOM 240 C GLU A 17 7.141 3.125 -14.161 1.00 25.00 C ATOM 241 O GLU A 17 8.311 2.825 -14.330 1.00 25.00 O ATOM 242 CB GLU A 17 6.076 3.475 -16.382 1.00 25.00 C ATOM 243 CG GLU A 17 5.415 2.799 -17.646 1.00 25.00 C ATOM 244 CD GLU A 17 6.374 1.973 -18.431 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.701 2.255 -19.512 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.791 0.962 -17.805 1.00 25.00 O ATOM 0 H GLU A 17 4.068 3.142 -14.955 1.00 25.00 H new ATOM 0 HA GLU A 17 6.331 1.554 -15.376 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.545 4.400 -16.159 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.103 3.747 -16.624 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.583 2.172 -17.323 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.999 3.574 -18.290 1.00 25.00 H new ATOM 254 N ASN A 18 6.743 3.857 -13.118 1.00 25.00 N ATOM 255 CA ASN A 18 7.718 4.383 -12.140 1.00 25.00 C ATOM 256 C ASN A 18 8.260 3.243 -11.280 1.00 25.00 C ATOM 257 O ASN A 18 9.258 3.442 -10.612 1.00 25.00 O ATOM 258 CB ASN A 18 7.136 5.413 -11.202 1.00 25.00 C ATOM 259 CG ASN A 18 7.045 6.793 -11.805 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.913 7.254 -12.512 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.977 7.447 -11.542 1.00 25.00 N ATOM 0 H ASN A 18 5.771 4.100 -12.924 1.00 25.00 H new ATOM 0 HA ASN A 18 8.500 4.859 -12.732 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.140 5.093 -10.896 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.747 5.459 -10.301 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.841 8.380 -11.931 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.261 7.035 -10.943 1.00 25.00 H new ATOM 268 N TYR A 19 7.596 2.083 -11.259 1.00 25.00 N ATOM 269 CA TYR A 19 8.074 0.951 -10.500 1.00 25.00 C ATOM 270 C TYR A 19 9.090 0.132 -11.345 1.00 25.00 C ATOM 271 O TYR A 19 9.658 -0.849 -10.840 1.00 25.00 O ATOM 272 CB TYR A 19 6.902 0.092 -10.017 1.00 25.00 C ATOM 273 CG TYR A 19 5.886 0.840 -9.234 1.00 25.00 C ATOM 274 CD1 TYR A 19 6.236 1.589 -8.085 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.536 0.789 -9.580 1.00 25.00 C ATOM 276 CE1 TYR A 19 5.223 2.232 -7.315 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.531 1.464 -8.856 1.00 25.00 C ATOM 278 CZ TYR A 19 3.882 2.175 -7.715 1.00 25.00 C ATOM 279 OH TYR A 19 2.875 2.781 -7.003 1.00 25.00 O ATOM 0 H TYR A 19 6.726 1.915 -11.764 1.00 25.00 H new ATOM 0 HA TYR A 19 8.596 1.309 -9.612 1.00 25.00 H new ATOM 0 HB2 TYR A 19 6.417 -0.362 -10.881 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.290 -0.722 -9.405 1.00 25.00 H new ATOM 0 HD1 TYR A 19 7.272 1.673 -7.791 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.247 0.206 -10.442 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.492 2.767 -6.416 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.503 1.429 -9.184 1.00 25.00 H new ATOM 0 HH TYR A 19 3.262 3.417 -6.366 1.00 25.00 H new ATOM 289 N CYS A 20 9.267 0.471 -12.612 1.00 25.00 N ATOM 290 CA CYS A 20 10.270 -0.179 -13.412 1.00 25.00 C ATOM 291 C CYS A 20 11.626 0.408 -12.981 1.00 25.00 C ATOM 292 O CYS A 20 11.746 1.377 -12.289 1.00 25.00 O ATOM 293 CB CYS A 20 10.012 0.082 -14.875 1.00 25.00 C ATOM 294 SG CYS A 20 8.444 -0.699 -15.390 1.00 25.00 S ATOM 0 H CYS A 20 8.729 1.188 -13.098 1.00 25.00 H new ATOM 0 HA CYS A 20 10.257 -1.259 -13.268 1.00 25.00 H new ATOM 0 HB2 CYS A 20 9.969 1.156 -15.058 1.00 25.00 H new ATOM 0 HB3 CYS A 20 10.835 -0.310 -15.472 1.00 25.00 H new ATOM 299 N ASN A 21 12.709 -0.281 -13.437 1.00 25.00 N ATOM 300 CA ASN A 21 14.121 0.197 -13.220 1.00 25.00 C ATOM 301 C ASN A 21 14.340 1.689 -13.371 1.00 25.00 C ATOM 302 O ASN A 21 14.813 2.401 -12.543 1.00 25.00 O ATOM 303 CB ASN A 21 15.071 -0.543 -14.163 1.00 25.00 C ATOM 304 CG ASN A 21 16.486 -0.573 -13.684 1.00 25.00 C ATOM 305 OD1 ASN A 21 16.932 0.161 -12.856 1.00 25.00 O ATOM 306 ND2 ASN A 21 17.244 -1.501 -14.211 1.00 25.00 N ATOM 307 OXT ASN A 21 14.032 2.127 -14.574 1.00 25.00 O ATOM 0 H ASN A 21 12.642 -1.159 -13.952 1.00 25.00 H new ATOM 0 HA ASN A 21 14.330 -0.026 -12.174 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.718 -1.566 -14.292 1.00 25.00 H new ATOM 0 HB3 ASN A 21 15.038 -0.069 -15.144 1.00 25.00 H new ATOM 0 HD21 ASN A 21 18.215 -1.596 -13.914 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.864 -2.129 -14.919 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.039 0.349 -23.142 1.00 25.00 N ATOM 317 CA PHE B 1 -6.984 -0.138 -21.750 1.00 25.00 C ATOM 318 C PHE B 1 -8.112 0.419 -20.854 1.00 25.00 C ATOM 319 O PHE B 1 -8.174 1.602 -20.567 1.00 25.00 O ATOM 320 CB PHE B 1 -5.611 0.254 -21.092 1.00 25.00 C ATOM 321 CG PHE B 1 -5.262 -0.477 -19.808 1.00 25.00 C ATOM 322 CD1 PHE B 1 -5.728 -0.018 -18.554 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.442 -1.612 -19.819 1.00 25.00 C ATOM 324 CE1 PHE B 1 -5.387 -0.686 -17.380 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.082 -2.271 -18.647 1.00 25.00 C ATOM 326 CZ PHE B 1 -4.539 -1.779 -17.427 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.254 -0.064 -23.686 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.943 0.069 -23.572 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.958 1.386 -23.151 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.106 -1.219 -21.814 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.817 0.075 -21.817 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.620 1.325 -20.888 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.355 0.860 -18.506 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.078 -1.987 -20.764 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -5.784 -0.351 -16.433 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.457 -3.151 -18.683 1.00 25.00 H new ATOM 0 HZ PHE B 1 -4.229 -2.255 -16.509 1.00 25.00 H new ATOM 337 N VAL B 2 -8.958 -0.512 -20.388 1.00 25.00 N ATOM 338 CA VAL B 2 -10.035 -0.179 -19.472 1.00 25.00 C ATOM 339 C VAL B 2 -9.433 -0.367 -18.078 1.00 25.00 C ATOM 340 O VAL B 2 -8.959 -1.452 -17.732 1.00 25.00 O ATOM 341 CB VAL B 2 -11.308 -1.041 -19.665 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.380 -0.632 -18.631 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.895 -0.864 -21.105 1.00 25.00 C ATOM 0 H VAL B 2 -8.909 -1.500 -20.637 1.00 25.00 H new ATOM 0 HA VAL B 2 -10.386 0.838 -19.647 1.00 25.00 H new ATOM 0 HB VAL B 2 -11.031 -2.086 -19.524 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -13.273 -1.242 -18.772 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.991 -0.785 -17.624 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -12.634 0.419 -18.766 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.788 -1.480 -21.212 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -12.155 0.182 -21.266 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -11.152 -1.170 -21.841 1.00 25.00 H new ATOM 353 N ASN B 3 -9.401 0.732 -17.334 1.00 25.00 N ATOM 354 CA ASN B 3 -8.693 0.800 -16.088 1.00 25.00 C ATOM 355 C ASN B 3 -9.635 0.858 -14.896 1.00 25.00 C ATOM 356 O ASN B 3 -10.566 1.647 -14.857 1.00 25.00 O ATOM 357 CB ASN B 3 -7.838 2.067 -16.123 1.00 25.00 C ATOM 358 CG ASN B 3 -6.715 2.059 -15.058 1.00 25.00 C ATOM 359 OD1 ASN B 3 -6.575 1.132 -14.293 1.00 25.00 O ATOM 360 ND2 ASN B 3 -5.901 3.077 -15.073 1.00 25.00 N ATOM 0 H ASN B 3 -9.872 1.599 -17.591 1.00 25.00 H new ATOM 0 HA ASN B 3 -8.086 -0.098 -15.970 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.394 2.173 -17.113 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.477 2.936 -15.965 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.114 3.110 -14.425 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.051 3.840 -15.733 1.00 25.00 H new ATOM 367 N GLN B 4 -9.377 -0.040 -13.951 1.00 25.00 N ATOM 368 CA GLN B 4 -10.197 -0.168 -12.760 1.00 25.00 C ATOM 369 C GLN B 4 -9.265 -0.266 -11.533 1.00 25.00 C ATOM 370 O GLN B 4 -8.130 0.191 -11.599 1.00 25.00 O ATOM 371 CB GLN B 4 -11.140 -1.388 -12.879 1.00 25.00 C ATOM 372 CG GLN B 4 -12.519 -1.229 -12.170 1.00 25.00 C ATOM 373 CD GLN B 4 -13.439 -0.179 -12.806 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.462 0.973 -12.369 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.269 -0.591 -13.758 1.00 25.00 N ATOM 0 H GLN B 4 -8.596 -0.695 -13.992 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.837 0.707 -12.642 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -11.313 -1.592 -13.936 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.634 -2.260 -12.465 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -13.029 -2.192 -12.174 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.349 -0.962 -11.127 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -14.221 -1.552 -14.095 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -14.954 0.054 -14.152 1.00 25.00 H new ATOM 384 N HIS B 5 -9.735 -0.868 -10.453 1.00 25.00 N ATOM 385 CA HIS B 5 -8.961 -0.987 -9.191 1.00 25.00 C ATOM 386 C HIS B 5 -8.095 -2.169 -9.246 1.00 25.00 C ATOM 387 O HIS B 5 -8.432 -3.197 -8.678 1.00 25.00 O ATOM 388 CB HIS B 5 -9.908 -1.102 -8.026 1.00 25.00 C ATOM 389 CG HIS B 5 -10.987 -0.092 -8.033 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.752 1.298 -7.980 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.326 -0.199 -8.119 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.941 1.924 -8.030 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.881 1.035 -8.131 1.00 25.00 N ATOM 0 H HIS B 5 -10.661 -1.293 -10.409 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.342 -0.099 -9.065 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.354 -2.097 -8.029 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.342 -1.009 -7.099 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.840 1.749 -7.915 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.874 -1.128 -8.171 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -12.090 2.993 -7.992 1.00 25.00 H new ATOM 402 N LEU B 6 -7.028 -2.095 -9.960 1.00 25.00 N ATOM 403 CA LEU B 6 -6.196 -3.235 -10.138 1.00 25.00 C ATOM 404 C LEU B 6 -5.611 -3.598 -8.779 1.00 25.00 C ATOM 405 O LEU B 6 -5.042 -2.705 -8.117 1.00 25.00 O ATOM 406 CB LEU B 6 -5.059 -2.935 -11.160 1.00 25.00 C ATOM 407 CG LEU B 6 -5.323 -2.955 -12.710 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.723 -4.331 -13.181 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.371 -1.932 -13.177 1.00 25.00 C ATOM 0 H LEU B 6 -6.708 -1.251 -10.434 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.778 -4.067 -10.535 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.668 -1.947 -10.918 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.260 -3.651 -10.965 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.373 -2.670 -13.161 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -5.898 -4.311 -14.257 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.925 -5.039 -12.957 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -6.635 -4.639 -12.671 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.497 -2.007 -14.257 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -7.322 -2.136 -12.686 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.038 -0.927 -12.920 1.00 25.00 H new ATOM 421 N CYS B 7 -5.784 -4.845 -8.336 1.00 25.00 N ATOM 422 CA CYS B 7 -5.360 -5.225 -6.974 1.00 25.00 C ATOM 423 C CYS B 7 -4.704 -6.578 -6.911 1.00 25.00 C ATOM 424 O CYS B 7 -3.559 -6.701 -6.450 1.00 25.00 O ATOM 425 CB CYS B 7 -6.587 -5.112 -6.040 1.00 25.00 C ATOM 426 SG CYS B 7 -6.226 -5.000 -4.245 1.00 25.00 S ATOM 0 H CYS B 7 -6.204 -5.598 -8.881 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.582 -4.539 -6.640 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.160 -4.231 -6.331 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.227 -5.978 -6.208 1.00 25.00 H new HETATM 431 N AIB B 8 -5.461 -7.620 -7.345 1.00 25.00 N HETATM 432 CA AIB B 8 -5.072 -9.102 -7.349 1.00 25.00 C HETATM 433 C AIB B 8 -3.989 -9.400 -8.444 1.00 25.00 C HETATM 434 O AIB B 8 -3.244 -8.544 -8.851 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.413 -9.933 -7.631 1.00 25.00 C HETATM 436 CB2 AIB B 8 -4.555 -9.562 -5.939 1.00 25.00 C HETATM 0 H AIB B 8 -6.398 -7.472 -7.720 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -6.185 -10.999 -7.643 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.141 -9.727 -6.846 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.827 -9.640 -8.596 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -4.288 -10.618 -5.976 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -3.679 -8.975 -5.664 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -5.340 -9.412 -5.197 1.00 25.00 H new ATOM 444 N SER B 9 -3.879 -10.695 -8.909 1.00 25.00 N ATOM 445 CA SER B 9 -2.904 -11.128 -9.933 1.00 25.00 C ATOM 446 C SER B 9 -2.890 -10.307 -11.202 1.00 25.00 C ATOM 447 O SER B 9 -1.849 -10.048 -11.818 1.00 25.00 O ATOM 448 CB SER B 9 -3.175 -12.581 -10.274 1.00 25.00 C ATOM 449 OG SER B 9 -2.276 -13.062 -11.266 1.00 25.00 O ATOM 0 H SER B 9 -4.472 -11.453 -8.572 1.00 25.00 H new ATOM 0 HA SER B 9 -1.918 -10.983 -9.491 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.085 -13.190 -9.374 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.200 -12.687 -10.629 1.00 25.00 H new ATOM 0 HG SER B 9 -2.477 -14.001 -11.462 1.00 25.00 H new ATOM 455 N HIS B 10 -4.041 -9.749 -11.563 1.00 25.00 N ATOM 456 CA HIS B 10 -4.145 -8.865 -12.724 1.00 25.00 C ATOM 457 C HIS B 10 -3.322 -7.598 -12.553 1.00 25.00 C ATOM 458 O HIS B 10 -2.863 -7.052 -13.536 1.00 25.00 O ATOM 459 CB HIS B 10 -5.606 -8.500 -12.995 1.00 25.00 C ATOM 460 CG HIS B 10 -6.248 -9.309 -14.076 1.00 25.00 C ATOM 461 ND1 HIS B 10 -5.945 -9.123 -15.435 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.183 -10.291 -14.072 1.00 25.00 C ATOM 463 CE1 HIS B 10 -6.665 -9.994 -16.153 1.00 25.00 C ATOM 464 NE2 HIS B 10 -7.403 -10.704 -15.347 1.00 25.00 N ATOM 0 H HIS B 10 -4.920 -9.893 -11.067 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.744 -9.412 -13.577 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.177 -8.625 -12.075 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.662 -7.445 -13.264 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.675 -10.683 -13.194 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -6.638 -10.092 -17.228 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.041 -11.448 -15.628 1.00 25.00 H new ATOM 473 N LEU B 11 -3.093 -7.140 -11.340 1.00 25.00 N ATOM 474 CA LEU B 11 -2.276 -5.951 -11.148 1.00 25.00 C ATOM 475 C LEU B 11 -0.877 -6.268 -11.585 1.00 25.00 C ATOM 476 O LEU B 11 -0.220 -5.492 -12.309 1.00 25.00 O ATOM 477 CB LEU B 11 -2.258 -5.554 -9.677 1.00 25.00 C ATOM 478 CG LEU B 11 -1.293 -4.442 -9.277 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.498 -3.161 -10.059 1.00 25.00 C ATOM 480 CD2 LEU B 11 -1.422 -4.194 -7.804 1.00 25.00 C ATOM 0 H LEU B 11 -3.452 -7.561 -10.483 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.688 -5.126 -11.730 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.265 -5.247 -9.395 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.018 -6.440 -9.089 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.284 -4.776 -9.518 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.780 -2.412 -9.725 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.352 -3.356 -11.121 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -2.510 -2.792 -9.894 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.736 -3.400 -7.507 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -2.445 -3.895 -7.574 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.179 -5.106 -7.259 1.00 25.00 H new ATOM 492 N VAL B 12 -0.441 -7.460 -11.204 1.00 25.00 N ATOM 493 CA VAL B 12 0.934 -7.920 -11.494 1.00 25.00 C ATOM 494 C VAL B 12 1.075 -8.098 -13.005 1.00 25.00 C ATOM 495 O VAL B 12 2.008 -7.659 -13.618 1.00 25.00 O ATOM 496 CB VAL B 12 1.260 -9.235 -10.671 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.670 -9.766 -10.954 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.068 -8.980 -9.126 1.00 25.00 C ATOM 0 H VAL B 12 -1.010 -8.135 -10.693 1.00 25.00 H new ATOM 0 HA VAL B 12 1.669 -7.181 -11.176 1.00 25.00 H new ATOM 0 HB VAL B 12 0.557 -10.001 -10.998 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.844 -10.667 -10.366 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.765 -10.000 -12.014 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.405 -9.008 -10.683 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.296 -9.893 -8.576 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.739 -8.184 -8.802 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.036 -8.687 -8.931 1.00 25.00 H new ATOM 508 N GLU B 13 0.077 -8.693 -13.613 1.00 25.00 N ATOM 509 CA GLU B 13 0.076 -8.875 -15.068 1.00 25.00 C ATOM 510 C GLU B 13 0.076 -7.514 -15.779 1.00 25.00 C ATOM 511 O GLU B 13 0.790 -7.351 -16.770 1.00 25.00 O ATOM 512 CB GLU B 13 -1.150 -9.690 -15.505 1.00 25.00 C ATOM 513 CG GLU B 13 -1.137 -10.166 -16.949 1.00 25.00 C ATOM 514 CD GLU B 13 -2.457 -10.811 -17.344 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.415 -10.883 -16.630 1.00 25.00 O ATOM 516 OE2 GLU B 13 -2.506 -11.197 -18.581 1.00 25.00 O ATOM 0 H GLU B 13 -0.746 -9.062 -13.137 1.00 25.00 H new ATOM 0 HA GLU B 13 0.979 -9.418 -15.345 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.237 -10.560 -14.854 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.042 -9.084 -15.348 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -0.934 -9.322 -17.608 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.327 -10.882 -17.088 1.00 25.00 H new ATOM 524 N ALA B 14 -0.675 -6.531 -15.272 1.00 25.00 N ATOM 525 CA ALA B 14 -0.736 -5.189 -15.920 1.00 25.00 C ATOM 526 C ALA B 14 0.639 -4.495 -15.825 1.00 25.00 C ATOM 527 O ALA B 14 1.095 -3.863 -16.768 1.00 25.00 O ATOM 528 CB ALA B 14 -1.804 -4.325 -15.282 1.00 25.00 C ATOM 0 H ALA B 14 -1.245 -6.622 -14.431 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.996 -5.327 -16.970 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.827 -3.352 -15.774 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.775 -4.808 -15.389 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.580 -4.191 -14.224 1.00 25.00 H new ATOM 534 N LEU B 15 1.316 -4.691 -14.712 1.00 25.00 N ATOM 535 CA LEU B 15 2.659 -4.153 -14.542 1.00 25.00 C ATOM 536 C LEU B 15 3.633 -4.862 -15.447 1.00 25.00 C ATOM 537 O LEU B 15 4.457 -4.249 -16.080 1.00 25.00 O ATOM 538 CB LEU B 15 3.167 -4.263 -13.123 1.00 25.00 C ATOM 539 CG LEU B 15 3.758 -2.976 -12.511 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.215 -3.319 -11.151 1.00 25.00 C ATOM 541 CD2 LEU B 15 4.918 -2.352 -13.327 1.00 25.00 C ATOM 0 H LEU B 15 0.964 -5.216 -13.912 1.00 25.00 H new ATOM 0 HA LEU B 15 2.589 -3.096 -14.799 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.346 -4.598 -12.490 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.931 -5.040 -13.092 1.00 25.00 H new ATOM 0 HG LEU B 15 2.981 -2.212 -12.509 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.642 -2.435 -10.677 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.369 -3.674 -10.562 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.971 -4.102 -11.208 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.273 -1.452 -12.825 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.735 -3.070 -13.406 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.563 -2.095 -14.325 1.00 25.00 H new ATOM 553 N TYR B 16 3.506 -6.160 -15.550 1.00 25.00 N ATOM 554 CA TYR B 16 4.393 -6.904 -16.446 1.00 25.00 C ATOM 555 C TYR B 16 4.198 -6.515 -17.887 1.00 25.00 C ATOM 556 O TYR B 16 5.190 -6.334 -18.628 1.00 25.00 O ATOM 557 CB TYR B 16 4.185 -8.410 -16.236 1.00 25.00 C ATOM 558 CG TYR B 16 5.293 -9.204 -16.890 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.558 -9.312 -16.293 1.00 25.00 C ATOM 560 CD2 TYR B 16 5.073 -9.848 -18.134 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.600 -9.995 -16.927 1.00 25.00 C ATOM 562 CE2 TYR B 16 6.081 -10.529 -18.753 1.00 25.00 C ATOM 563 CZ TYR B 16 7.353 -10.594 -18.152 1.00 25.00 C ATOM 564 OH TYR B 16 8.334 -11.311 -18.799 1.00 25.00 O ATOM 0 H TYR B 16 2.821 -6.723 -15.046 1.00 25.00 H new ATOM 0 HA TYR B 16 5.424 -6.650 -16.199 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.154 -8.632 -15.169 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.223 -8.710 -16.652 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.730 -8.860 -15.327 1.00 25.00 H new ATOM 0 HD2 TYR B 16 4.098 -9.799 -18.596 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.577 -10.055 -16.471 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.904 -11.016 -19.700 1.00 25.00 H new ATOM 0 HH TYR B 16 7.981 -11.660 -19.644 1.00 25.00 H new ATOM 574 N LEU B 17 2.937 -6.375 -18.293 1.00 25.00 N ATOM 575 CA LEU B 17 2.633 -5.991 -19.665 1.00 25.00 C ATOM 576 C LEU B 17 3.258 -4.625 -20.001 1.00 25.00 C ATOM 577 O LEU B 17 3.815 -4.426 -21.064 1.00 25.00 O ATOM 578 CB LEU B 17 1.113 -5.941 -19.903 1.00 25.00 C ATOM 579 CG LEU B 17 0.484 -7.346 -20.080 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.040 -7.285 -20.048 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.916 -8.039 -21.405 1.00 25.00 C ATOM 0 H LEU B 17 2.121 -6.520 -17.698 1.00 25.00 H new ATOM 0 HA LEU B 17 3.063 -6.748 -20.321 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.635 -5.438 -19.063 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.909 -5.343 -20.791 1.00 25.00 H new ATOM 0 HG LEU B 17 0.854 -7.934 -19.240 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.447 -8.288 -20.175 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.368 -6.879 -19.091 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.396 -6.644 -20.855 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.444 -9.019 -21.474 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.607 -7.428 -22.253 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.000 -8.156 -21.418 1.00 25.00 H new ATOM 593 N VAL B 18 3.096 -3.631 -19.124 1.00 25.00 N ATOM 594 CA VAL B 18 3.594 -2.289 -19.450 1.00 25.00 C ATOM 595 C VAL B 18 5.122 -2.169 -19.238 1.00 25.00 C ATOM 596 O VAL B 18 5.785 -1.346 -19.867 1.00 25.00 O ATOM 597 CB VAL B 18 2.802 -1.258 -18.605 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.177 -1.273 -17.111 1.00 25.00 C ATOM 599 CG2 VAL B 18 2.957 0.178 -19.195 1.00 25.00 C ATOM 0 H VAL B 18 2.642 -3.720 -18.215 1.00 25.00 H new ATOM 0 HA VAL B 18 3.433 -2.088 -20.509 1.00 25.00 H new ATOM 0 HB VAL B 18 1.756 -1.559 -18.662 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.585 -0.528 -16.580 1.00 25.00 H new ATOM 0 HG12 VAL B 18 2.975 -2.260 -16.695 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.236 -1.042 -16.999 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.393 0.884 -18.586 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.010 0.459 -19.196 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.576 0.195 -20.216 1.00 25.00 H new ATOM 609 N CYS B 19 5.684 -2.951 -18.320 1.00 25.00 N ATOM 610 CA CYS B 19 7.109 -2.784 -17.973 1.00 25.00 C ATOM 611 C CYS B 19 7.917 -3.605 -18.972 1.00 25.00 C ATOM 612 O CYS B 19 9.110 -3.415 -19.160 1.00 25.00 O ATOM 613 CB CYS B 19 7.396 -3.298 -16.537 1.00 25.00 C ATOM 614 SG CYS B 19 8.927 -2.659 -15.793 1.00 25.00 S ATOM 0 H CYS B 19 5.198 -3.689 -17.810 1.00 25.00 H new ATOM 0 HA CYS B 19 7.378 -1.728 -18.011 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.557 -3.030 -15.895 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.445 -4.387 -16.559 1.00 25.00 H new ATOM 619 N GLY B 20 7.253 -4.588 -19.564 1.00 25.00 N ATOM 620 CA GLY B 20 7.879 -5.467 -20.515 1.00 25.00 C ATOM 621 C GLY B 20 8.591 -6.582 -19.787 1.00 25.00 C ATOM 622 O GLY B 20 8.576 -6.746 -18.575 1.00 25.00 O ATOM 0 H GLY B 20 6.268 -4.790 -19.392 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.130 -5.881 -21.190 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.587 -4.910 -21.128 1.00 25.00 H new ATOM 626 N GLU B 21 9.314 -7.351 -20.600 1.00 25.00 N ATOM 627 CA GLU B 21 10.062 -8.506 -20.077 1.00 25.00 C ATOM 628 C GLU B 21 11.247 -7.996 -19.177 1.00 25.00 C ATOM 629 O GLU B 21 11.899 -8.790 -18.521 1.00 25.00 O ATOM 630 CB GLU B 21 10.577 -9.380 -21.209 1.00 25.00 C ATOM 631 CG GLU B 21 9.452 -10.035 -22.092 1.00 25.00 C ATOM 632 CD GLU B 21 9.991 -10.909 -23.217 1.00 25.00 C ATOM 633 OE1 GLU B 21 10.829 -10.564 -23.970 1.00 25.00 O ATOM 634 OE2 GLU B 21 9.513 -12.090 -23.227 1.00 25.00 O ATOM 0 H GLU B 21 9.401 -7.204 -21.606 1.00 25.00 H new ATOM 0 HA GLU B 21 9.393 -9.118 -19.472 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.221 -8.779 -21.851 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.197 -10.171 -20.787 1.00 25.00 H new ATOM 0 HG2 GLU B 21 8.805 -10.637 -21.454 1.00 25.00 H new ATOM 0 HG3 GLU B 21 8.833 -9.247 -22.520 1.00 25.00 H new ATOM 642 N ARG B 22 11.499 -6.697 -19.233 1.00 25.00 N ATOM 643 CA ARG B 22 12.600 -6.067 -18.523 1.00 25.00 C ATOM 644 C ARG B 22 12.486 -6.257 -17.010 1.00 25.00 C ATOM 645 O ARG B 22 13.466 -6.536 -16.297 1.00 25.00 O ATOM 646 CB ARG B 22 12.649 -4.546 -18.822 1.00 25.00 C ATOM 647 CG ARG B 22 12.370 -4.180 -20.268 1.00 25.00 C ATOM 648 CD ARG B 22 13.426 -4.746 -21.257 1.00 25.00 C ATOM 649 NE ARG B 22 14.731 -4.094 -21.037 1.00 25.00 N ATOM 650 CZ ARG B 22 15.126 -2.970 -21.616 1.00 25.00 C ATOM 651 NH1 ARG B 22 14.373 -2.329 -22.484 1.00 25.00 N ATOM 652 NH2 ARG B 22 16.300 -2.508 -21.299 1.00 25.00 N ATOM 0 H ARG B 22 10.938 -6.044 -19.779 1.00 25.00 H new ATOM 0 HA ARG B 22 13.512 -6.549 -18.874 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.923 -4.040 -18.186 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.633 -4.166 -18.548 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.384 -4.553 -20.547 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.339 -3.094 -20.362 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.522 -5.823 -21.121 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.098 -4.582 -22.284 1.00 25.00 H new ATOM 0 HE ARG B 22 15.379 -4.543 -20.390 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.453 -2.695 -22.730 1.00 25.00 H new ATOM 0 HH12 ARG B 22 14.709 -1.466 -22.911 1.00 25.00 H new ATOM 0 HH21 ARG B 22 16.880 -3.009 -20.626 1.00 25.00 H new ATOM 0 HH22 ARG B 22 16.640 -1.645 -21.723 1.00 25.00 H new ATOM 666 N GLY B 23 11.236 -6.322 -16.548 1.00 25.00 N ATOM 667 CA GLY B 23 10.923 -6.653 -15.156 1.00 25.00 C ATOM 668 C GLY B 23 10.873 -5.425 -14.249 1.00 25.00 C ATOM 669 O GLY B 23 11.433 -4.398 -14.646 1.00 25.00 O ATOM 0 H GLY B 23 10.414 -6.147 -17.126 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.962 -7.166 -15.117 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.671 -7.349 -14.776 1.00 25.00 H new ATOM 673 N PHE B 24 10.148 -5.503 -13.116 1.00 25.00 N ATOM 674 CA PHE B 24 9.946 -4.342 -12.200 1.00 25.00 C ATOM 675 C PHE B 24 10.295 -4.719 -10.758 1.00 25.00 C ATOM 676 O PHE B 24 10.158 -3.979 -9.813 1.00 25.00 O ATOM 677 CB PHE B 24 8.479 -3.917 -12.353 1.00 25.00 C ATOM 678 CG PHE B 24 7.484 -5.032 -12.122 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.148 -5.415 -10.854 1.00 25.00 C ATOM 680 CD2 PHE B 24 6.936 -5.749 -13.200 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.313 -6.527 -10.615 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.060 -6.893 -12.956 1.00 25.00 C ATOM 683 CZ PHE B 24 5.779 -7.252 -11.697 1.00 25.00 C ATOM 0 H PHE B 24 9.687 -6.358 -12.804 1.00 25.00 H new ATOM 0 HA PHE B 24 10.604 -3.511 -12.454 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.271 -3.109 -11.652 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.331 -3.515 -13.355 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.531 -4.853 -10.015 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.164 -5.453 -14.213 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.084 -6.822 -9.602 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.642 -7.445 -13.785 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.139 -8.102 -11.511 1.00 25.00 H new ATOM 693 N PHE B 25 10.710 -5.972 -10.630 1.00 25.00 N ATOM 694 CA PHE B 25 10.895 -6.623 -9.369 1.00 25.00 C ATOM 695 C PHE B 25 12.347 -6.393 -8.897 1.00 25.00 C ATOM 696 O PHE B 25 13.216 -6.064 -9.672 1.00 25.00 O ATOM 697 CB PHE B 25 10.595 -8.122 -9.541 1.00 25.00 C ATOM 698 CG PHE B 25 11.463 -8.773 -10.588 1.00 25.00 C ATOM 699 CD1 PHE B 25 12.746 -9.214 -10.230 1.00 25.00 C ATOM 700 CD2 PHE B 25 11.016 -8.968 -11.905 1.00 25.00 C ATOM 701 CE1 PHE B 25 13.592 -9.840 -11.181 1.00 25.00 C ATOM 702 CE2 PHE B 25 11.857 -9.593 -12.891 1.00 25.00 C ATOM 703 CZ PHE B 25 13.149 -10.024 -12.506 1.00 25.00 C ATOM 0 H PHE B 25 10.929 -6.567 -11.429 1.00 25.00 H new ATOM 0 HA PHE B 25 10.220 -6.217 -8.616 1.00 25.00 H new ATOM 0 HB2 PHE B 25 10.741 -8.629 -8.587 1.00 25.00 H new ATOM 0 HB3 PHE B 25 9.547 -8.250 -9.813 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.094 -9.075 -9.217 1.00 25.00 H new ATOM 0 HD2 PHE B 25 10.024 -8.643 -12.182 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.576 -10.176 -10.889 1.00 25.00 H new ATOM 0 HE2 PHE B 25 11.509 -9.730 -13.904 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.797 -10.495 -13.230 1.00 25.00 H new ATOM 713 N TYR B 26 12.582 -6.657 -7.628 1.00 25.00 N ATOM 714 CA TYR B 26 13.916 -6.591 -7.024 1.00 25.00 C ATOM 715 C TYR B 26 14.435 -7.976 -6.659 1.00 25.00 C ATOM 716 O TYR B 26 13.655 -8.794 -6.230 1.00 25.00 O ATOM 717 CB TYR B 26 13.851 -5.699 -5.756 1.00 25.00 C ATOM 718 CG TYR B 26 13.487 -4.246 -6.104 1.00 25.00 C ATOM 719 CD1 TYR B 26 14.479 -3.340 -6.426 1.00 25.00 C ATOM 720 CD2 TYR B 26 12.151 -3.784 -6.084 1.00 25.00 C ATOM 721 CE1 TYR B 26 14.172 -1.970 -6.763 1.00 25.00 C ATOM 722 CE2 TYR B 26 11.840 -2.446 -6.378 1.00 25.00 C ATOM 723 CZ TYR B 26 12.836 -1.549 -6.726 1.00 25.00 C ATOM 724 OH TYR B 26 12.513 -0.230 -6.996 1.00 25.00 O ATOM 0 H TYR B 26 11.850 -6.927 -6.971 1.00 25.00 H new ATOM 0 HA TYR B 26 14.606 -6.163 -7.751 1.00 25.00 H new ATOM 0 HB2 TYR B 26 13.113 -6.104 -5.063 1.00 25.00 H new ATOM 0 HB3 TYR B 26 14.814 -5.721 -5.245 1.00 25.00 H new ATOM 0 HD1 TYR B 26 15.509 -3.664 -6.426 1.00 25.00 H new ATOM 0 HD2 TYR B 26 11.355 -4.472 -5.838 1.00 25.00 H new ATOM 0 HE1 TYR B 26 14.958 -1.282 -7.039 1.00 25.00 H new ATOM 0 HE2 TYR B 26 10.813 -2.113 -6.332 1.00 25.00 H new ATOM 0 HH TYR B 26 11.543 -0.110 -6.928 1.00 25.00 H new ATOM 734 N THR B 27 15.751 -8.165 -6.855 1.00 25.00 N ATOM 735 CA THR B 27 16.476 -9.409 -6.533 1.00 25.00 C ATOM 736 C THR B 27 16.070 -10.669 -7.282 1.00 25.00 C ATOM 737 O THR B 27 14.902 -11.012 -7.399 1.00 25.00 O ATOM 738 CB THR B 27 16.488 -9.730 -4.997 1.00 25.00 C ATOM 739 OG1 THR B 27 15.139 -10.109 -4.553 1.00 25.00 O ATOM 740 CG2 THR B 27 16.965 -8.584 -4.151 1.00 25.00 C ATOM 0 H THR B 27 16.354 -7.443 -7.250 1.00 25.00 H new ATOM 0 HA THR B 27 17.475 -9.157 -6.890 1.00 25.00 H new ATOM 0 HB THR B 27 17.192 -10.552 -4.865 1.00 25.00 H new ATOM 0 HG1 THR B 27 14.512 -10.021 -5.301 1.00 25.00 H new ATOM 0 HG21 THR B 27 16.948 -8.875 -3.101 1.00 25.00 H new ATOM 0 HG22 THR B 27 17.983 -8.319 -4.437 1.00 25.00 H new ATOM 0 HG23 THR B 27 16.311 -7.725 -4.300 1.00 25.00 H new ATOM 748 N LYS B 28 17.050 -11.368 -7.804 1.00 25.00 N ATOM 749 CA LYS B 28 16.798 -12.616 -8.523 1.00 25.00 C ATOM 750 C LYS B 28 17.506 -13.692 -7.730 1.00 25.00 C ATOM 751 O LYS B 28 18.502 -13.387 -7.034 1.00 25.00 O ATOM 752 CB LYS B 28 17.469 -12.583 -9.909 1.00 25.00 C ATOM 753 CG LYS B 28 16.921 -11.578 -10.816 1.00 25.00 C ATOM 754 CD LYS B 28 17.630 -11.561 -12.146 1.00 25.00 C ATOM 755 CE LYS B 28 17.104 -10.394 -12.996 1.00 25.00 C ATOM 756 NZ LYS B 28 17.847 -10.203 -14.294 1.00 25.00 N ATOM 0 H LYS B 28 18.033 -11.102 -7.750 1.00 25.00 H new ATOM 0 HA LYS B 28 15.726 -12.779 -8.639 1.00 25.00 H new ATOM 0 HB2 LYS B 28 18.535 -12.397 -9.780 1.00 25.00 H new ATOM 0 HB3 LYS B 28 17.371 -13.565 -10.371 1.00 25.00 H new ATOM 0 HG2 LYS B 28 15.861 -11.774 -10.974 1.00 25.00 H new ATOM 0 HG3 LYS B 28 16.997 -10.594 -10.353 1.00 25.00 H new ATOM 0 HD2 LYS B 28 18.705 -11.459 -11.995 1.00 25.00 H new ATOM 0 HD3 LYS B 28 17.470 -12.505 -12.667 1.00 25.00 H new ATOM 0 HE2 LYS B 28 16.049 -10.562 -13.213 1.00 25.00 H new ATOM 0 HE3 LYS B 28 17.167 -9.475 -12.413 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 17.438 -9.400 -14.813 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 18.850 -10.012 -14.095 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 17.766 -11.065 -14.870 1.00 25.00 H new ATOM 770 N PRO B 29 17.092 -14.981 -7.859 1.00 25.00 N ATOM 771 CA PRO B 29 17.819 -16.084 -7.203 1.00 25.00 C ATOM 772 C PRO B 29 19.136 -16.407 -7.938 1.00 25.00 C ATOM 773 O PRO B 29 19.167 -17.004 -9.040 1.00 25.00 O ATOM 774 CB PRO B 29 16.817 -17.249 -7.268 1.00 25.00 C ATOM 775 CG PRO B 29 16.035 -16.957 -8.500 1.00 25.00 C ATOM 776 CD PRO B 29 15.897 -15.474 -8.578 1.00 25.00 C ATOM 0 HA PRO B 29 18.126 -15.852 -6.183 1.00 25.00 H new ATOM 0 HB2 PRO B 29 17.323 -18.212 -7.331 1.00 25.00 H new ATOM 0 HB3 PRO B 29 16.179 -17.281 -6.385 1.00 25.00 H new ATOM 0 HG2 PRO B 29 16.544 -17.345 -9.382 1.00 25.00 H new ATOM 0 HG3 PRO B 29 15.056 -17.435 -8.460 1.00 25.00 H new ATOM 0 HD2 PRO B 29 15.877 -15.126 -9.611 1.00 25.00 H new ATOM 0 HD3 PRO B 29 14.975 -15.131 -8.108 1.00 25.00 H new ATOM 784 N THR B 30 20.267 -15.959 -7.390 1.00 25.00 N ATOM 785 CA THR B 30 21.563 -16.073 -8.109 1.00 25.00 C ATOM 786 C THR B 30 22.625 -16.738 -7.292 1.00 25.00 C ATOM 787 O THR B 30 23.389 -17.564 -7.736 1.00 25.00 O ATOM 788 CB THR B 30 22.022 -14.684 -8.682 1.00 25.00 C ATOM 789 OG1 THR B 30 23.281 -14.825 -9.337 1.00 25.00 O ATOM 790 CG2 THR B 30 22.232 -13.586 -7.641 1.00 25.00 C ATOM 791 OXT THR B 30 22.590 -16.418 -6.022 1.00 25.00 O ATOM 0 H THR B 30 20.326 -15.521 -6.471 1.00 25.00 H new ATOM 0 HA THR B 30 21.396 -16.733 -8.960 1.00 25.00 H new ATOM 0 HB THR B 30 21.205 -14.388 -9.340 1.00 25.00 H new ATOM 0 HG1 THR B 30 23.563 -13.957 -9.694 1.00 25.00 H new ATOM 0 HG21 THR B 30 22.547 -12.669 -8.138 1.00 25.00 H new ATOM 0 HG22 THR B 30 21.298 -13.407 -7.107 1.00 25.00 H new ATOM 0 HG23 THR B 30 23.000 -13.898 -6.933 1.00 25.00 H new TER 800 THR B 30