USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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: B 12 HIS : no HE2:sc= -2.64 K(o=-4.8,f=-7.7!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.26 K(o=-4.8,f=-6.3!) USER MOD Set 1.3: B 40 CYS SG : rot 150:sc= 0.849 USER MOD Set 1.4: B 43 CYS SG : rot 79:sc= -1.79 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.07! C(o=-4.6!,f=-7.8!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.02 K(o=-4.6,f=-6!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= 0.947 USER MOD Set 2.4: A 43 CYS SG : rot 78:sc= -1.44 USER MOD Single : A 1 PHE N :NH3+ 163:sc= 0.708 (180deg=0.287) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.0144 (180deg=-0.231) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -84:sc= 0.765 USER MOD Single : A 18 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 22 MET CE :methyl 160:sc= -0.207 (180deg=-1.28) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= -0.0344 (180deg=-0.36) USER MOD Single : A 39 SER OG : rot 92:sc= 0.0878 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.7) USER MOD Single : B 1 PHE N :NH3+ 164:sc= 0.694 (180deg=0.326) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.0219 (180deg=-0.258) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -84:sc= 0.908 USER MOD Single : B 18 ASN : amide:sc=-0.00835 X(o=-0.0083,f=0) USER MOD Single : B 22 MET CE :methyl 156:sc= -0.207 (180deg=-1.44!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 34 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.2) USER MOD Single : B 39 SER OG : rot 94:sc= 0.0753 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -3.01 K(o=-3,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.825 -3.658 24.228 1.00 0.00 N ATOM 2 CA PHE A 1 94.427 -4.333 25.494 1.00 0.00 C ATOM 3 C PHE A 1 94.028 -3.279 26.529 1.00 0.00 C ATOM 4 O PHE A 1 92.874 -2.920 26.657 1.00 0.00 O ATOM 5 CB PHE A 1 95.611 -5.135 26.047 1.00 0.00 C ATOM 6 CG PHE A 1 95.857 -6.368 25.205 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.543 -6.260 23.989 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.424 -7.622 25.657 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.796 -7.406 23.227 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.673 -8.766 24.888 1.00 0.00 C ATOM 11 CZ PHE A 1 96.361 -8.658 23.677 1.00 0.00 C ATOM 0 H1 PHE A 1 95.360 -4.323 23.633 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.974 -3.346 23.719 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.420 -2.833 24.446 1.00 0.00 H new ATOM 0 HA PHE A 1 93.588 -5.000 25.293 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.505 -4.512 26.060 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.411 -5.426 27.078 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.876 -5.294 23.640 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.899 -7.706 26.597 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.328 -7.324 22.290 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.333 -9.732 25.231 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.557 -9.541 23.087 1.00 0.00 H new ATOM 23 N LEU A 2 94.980 -2.802 27.278 1.00 0.00 N ATOM 24 CA LEU A 2 94.685 -1.789 28.330 1.00 0.00 C ATOM 25 C LEU A 2 94.114 -0.504 27.713 1.00 0.00 C ATOM 26 O LEU A 2 93.183 0.075 28.233 1.00 0.00 O ATOM 27 CB LEU A 2 95.986 -1.459 29.065 1.00 0.00 C ATOM 28 CG LEU A 2 96.520 -2.716 29.765 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.991 -2.506 30.141 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.710 -3.008 31.041 1.00 0.00 C ATOM 0 H LEU A 2 95.961 -3.073 27.206 1.00 0.00 H new ATOM 0 HA LEU A 2 93.944 -2.197 29.017 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.727 -1.081 28.360 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.811 -0.670 29.797 1.00 0.00 H new ATOM 0 HG LEU A 2 96.426 -3.561 29.083 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.370 -3.399 30.638 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.574 -2.317 29.239 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.076 -1.652 30.813 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.102 -3.903 31.524 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.789 -2.162 31.724 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.664 -3.166 30.780 1.00 0.00 H new ATOM 42 N ASP A 3 94.661 -0.048 26.620 1.00 0.00 N ATOM 43 CA ASP A 3 94.138 1.209 26.002 1.00 0.00 C ATOM 44 C ASP A 3 92.689 1.007 25.564 1.00 0.00 C ATOM 45 O ASP A 3 91.855 1.875 25.728 1.00 0.00 O ATOM 46 CB ASP A 3 94.982 1.575 24.783 1.00 0.00 C ATOM 47 CG ASP A 3 96.360 2.054 25.240 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.519 2.289 26.426 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.237 2.170 24.399 1.00 0.00 O ATOM 0 H ASP A 3 95.441 -0.485 26.129 1.00 0.00 H new ATOM 0 HA ASP A 3 94.189 2.012 26.737 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.085 0.711 24.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.487 2.356 24.206 1.00 0.00 H new ATOM 54 N GLY A 4 92.378 -0.131 25.011 1.00 0.00 N ATOM 55 CA GLY A 4 90.977 -0.379 24.570 1.00 0.00 C ATOM 56 C GLY A 4 90.059 -0.317 25.787 1.00 0.00 C ATOM 57 O GLY A 4 88.964 0.211 25.728 1.00 0.00 O ATOM 0 H GLY A 4 93.030 -0.898 24.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.676 0.365 23.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.900 -1.354 24.089 1.00 0.00 H new ATOM 61 N ILE A 5 90.500 -0.858 26.889 1.00 0.00 N ATOM 62 CA ILE A 5 89.663 -0.848 28.119 1.00 0.00 C ATOM 63 C ILE A 5 89.483 0.580 28.634 1.00 0.00 C ATOM 64 O ILE A 5 88.417 0.946 29.088 1.00 0.00 O ATOM 65 CB ILE A 5 90.349 -1.700 29.191 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.208 -3.180 28.827 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.718 -1.439 30.566 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.141 -4.009 29.706 1.00 0.00 C ATOM 0 H ILE A 5 91.409 -1.309 26.990 1.00 0.00 H new ATOM 0 HA ILE A 5 88.679 -1.257 27.888 1.00 0.00 H new ATOM 0 HB ILE A 5 91.405 -1.433 29.238 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.176 -3.503 28.966 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.451 -3.332 27.775 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.216 -2.052 31.317 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.830 -0.386 30.824 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.659 -1.694 30.534 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.042 -5.063 29.448 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.171 -3.691 29.544 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.877 -3.865 30.754 1.00 0.00 H new ATOM 80 N ASP A 6 90.509 1.386 28.605 1.00 0.00 N ATOM 81 CA ASP A 6 90.352 2.775 29.126 1.00 0.00 C ATOM 82 C ASP A 6 89.276 3.508 28.339 1.00 0.00 C ATOM 83 O ASP A 6 88.413 4.153 28.897 1.00 0.00 O ATOM 84 CB ASP A 6 91.672 3.539 28.996 1.00 0.00 C ATOM 85 CG ASP A 6 92.688 3.001 30.005 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.360 2.950 31.181 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.777 2.644 29.586 1.00 0.00 O ATOM 0 H ASP A 6 91.435 1.149 28.249 1.00 0.00 H new ATOM 0 HA ASP A 6 90.065 2.720 30.176 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.063 3.437 27.984 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.505 4.602 29.167 1.00 0.00 H new ATOM 92 N LYS A 7 89.315 3.420 27.042 1.00 0.00 N ATOM 93 CA LYS A 7 88.290 4.124 26.230 1.00 0.00 C ATOM 94 C LYS A 7 86.929 3.462 26.455 1.00 0.00 C ATOM 95 O LYS A 7 85.919 4.123 26.571 1.00 0.00 O ATOM 96 CB LYS A 7 88.672 4.033 24.751 1.00 0.00 C ATOM 97 CG LYS A 7 87.785 4.979 23.941 1.00 0.00 C ATOM 98 CD LYS A 7 88.166 4.886 22.464 1.00 0.00 C ATOM 99 CE LYS A 7 87.300 5.847 21.652 1.00 0.00 C ATOM 100 NZ LYS A 7 87.784 5.879 20.243 1.00 0.00 N ATOM 0 H LYS A 7 90.009 2.894 26.511 1.00 0.00 H new ATOM 0 HA LYS A 7 88.235 5.172 26.526 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.721 4.296 24.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.552 3.010 24.395 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.736 4.717 24.075 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.905 6.003 24.296 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.220 5.131 22.333 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.029 3.866 22.106 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.258 5.529 21.683 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.342 6.846 22.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.195 6.533 19.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.773 6.201 20.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.722 4.925 19.833 1.00 0.00 H new ATOM 114 N ALA A 8 86.902 2.160 26.528 1.00 0.00 N ATOM 115 CA ALA A 8 85.617 1.439 26.758 1.00 0.00 C ATOM 116 C ALA A 8 85.126 1.680 28.187 1.00 0.00 C ATOM 117 O ALA A 8 83.946 1.634 28.467 1.00 0.00 O ATOM 118 CB ALA A 8 85.830 -0.062 26.531 1.00 0.00 C ATOM 0 H ALA A 8 87.721 1.559 26.438 1.00 0.00 H new ATOM 0 HA ALA A 8 84.867 1.812 26.061 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.892 -0.592 26.698 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.165 -0.231 25.508 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.585 -0.432 27.225 1.00 0.00 H new ATOM 124 N GLN A 9 86.028 1.910 29.095 1.00 0.00 N ATOM 125 CA GLN A 9 85.631 2.127 30.515 1.00 0.00 C ATOM 126 C GLN A 9 84.730 3.362 30.620 1.00 0.00 C ATOM 127 O GLN A 9 84.949 4.365 29.966 1.00 0.00 O ATOM 128 CB GLN A 9 86.894 2.335 31.352 1.00 0.00 C ATOM 129 CG GLN A 9 86.523 2.508 32.825 1.00 0.00 C ATOM 130 CD GLN A 9 87.799 2.706 33.643 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.890 2.524 33.140 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.710 3.079 34.888 1.00 0.00 N ATOM 0 H GLN A 9 87.031 1.958 28.916 1.00 0.00 H new ATOM 0 HA GLN A 9 85.082 1.260 30.882 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.562 1.482 31.235 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.434 3.214 30.999 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.861 3.365 32.948 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.980 1.632 33.181 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.794 3.232 35.310 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.556 3.218 35.440 1.00 0.00 H new ATOM 141 N GLU A 10 83.717 3.294 31.440 1.00 0.00 N ATOM 142 CA GLU A 10 82.795 4.454 31.591 1.00 0.00 C ATOM 143 C GLU A 10 81.936 4.235 32.847 1.00 0.00 C ATOM 144 O GLU A 10 82.073 3.248 33.539 1.00 0.00 O ATOM 145 CB GLU A 10 81.896 4.541 30.341 1.00 0.00 C ATOM 146 CG GLU A 10 81.435 5.986 30.098 1.00 0.00 C ATOM 147 CD GLU A 10 80.779 6.079 28.720 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.775 5.077 28.024 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.288 7.144 28.383 1.00 0.00 O ATOM 0 H GLU A 10 83.488 2.482 32.013 1.00 0.00 H new ATOM 0 HA GLU A 10 83.356 5.383 31.693 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.441 4.177 29.470 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.028 3.894 30.467 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.730 6.290 30.871 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.285 6.666 30.156 1.00 0.00 H new ATOM 156 N GLU A 11 81.055 5.145 33.154 1.00 0.00 N ATOM 157 CA GLU A 11 80.200 4.976 34.366 1.00 0.00 C ATOM 158 C GLU A 11 79.347 3.716 34.229 1.00 0.00 C ATOM 159 O GLU A 11 79.024 3.286 33.139 1.00 0.00 O ATOM 160 CB GLU A 11 79.286 6.199 34.533 1.00 0.00 C ATOM 161 CG GLU A 11 78.405 6.020 35.774 1.00 0.00 C ATOM 162 CD GLU A 11 77.613 7.303 36.028 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.798 8.250 35.283 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.831 7.317 36.966 1.00 0.00 O ATOM 0 H GLU A 11 80.889 5.998 32.620 1.00 0.00 H new ATOM 0 HA GLU A 11 80.842 4.882 35.242 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.887 7.103 34.629 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.663 6.323 33.647 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.723 5.182 35.631 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.023 5.784 36.640 1.00 0.00 H new ATOM 171 N HIS A 12 78.991 3.118 35.334 1.00 0.00 N ATOM 172 CA HIS A 12 78.169 1.875 35.301 1.00 0.00 C ATOM 173 C HIS A 12 76.796 2.170 34.699 1.00 0.00 C ATOM 174 O HIS A 12 75.792 2.184 35.381 1.00 0.00 O ATOM 175 CB HIS A 12 78.019 1.372 36.735 1.00 0.00 C ATOM 176 CG HIS A 12 77.078 0.199 36.806 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.517 -1.114 36.653 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.737 0.114 37.091 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.460 -1.923 36.862 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.354 -1.222 37.132 1.00 0.00 N ATOM 0 H HIS A 12 79.238 3.442 36.269 1.00 0.00 H new ATOM 0 HA HIS A 12 78.653 1.117 34.685 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.995 1.083 37.125 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.648 2.178 37.369 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.466 -1.409 36.424 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.081 0.956 37.258 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.501 -3.001 36.817 1.00 0.00 H new ATOM 188 N GLU A 13 76.756 2.404 33.418 1.00 0.00 N ATOM 189 CA GLU A 13 75.466 2.698 32.739 1.00 0.00 C ATOM 190 C GLU A 13 74.768 1.392 32.380 1.00 0.00 C ATOM 191 O GLU A 13 75.123 0.335 32.860 1.00 0.00 O ATOM 192 CB GLU A 13 75.748 3.486 31.461 1.00 0.00 C ATOM 193 CG GLU A 13 76.376 4.833 31.822 1.00 0.00 C ATOM 194 CD GLU A 13 76.811 5.557 30.552 1.00 0.00 C ATOM 195 OE1 GLU A 13 77.485 4.941 29.742 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.460 6.715 30.409 1.00 0.00 O ATOM 0 H GLU A 13 77.572 2.404 32.806 1.00 0.00 H new ATOM 0 HA GLU A 13 74.826 3.279 33.403 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.419 2.922 30.813 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.823 3.641 30.905 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.659 5.443 32.372 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.234 4.681 32.477 1.00 0.00 H new ATOM 203 N LYS A 14 73.780 1.463 31.536 1.00 0.00 N ATOM 204 CA LYS A 14 73.044 0.238 31.118 1.00 0.00 C ATOM 205 C LYS A 14 73.950 -0.625 30.232 1.00 0.00 C ATOM 206 O LYS A 14 73.818 -1.832 30.184 1.00 0.00 O ATOM 207 CB LYS A 14 71.791 0.651 30.345 1.00 0.00 C ATOM 208 CG LYS A 14 70.825 1.365 31.295 1.00 0.00 C ATOM 209 CD LYS A 14 69.566 1.782 30.526 1.00 0.00 C ATOM 210 CE LYS A 14 68.591 2.480 31.477 1.00 0.00 C ATOM 211 NZ LYS A 14 68.017 1.476 32.417 1.00 0.00 N ATOM 0 H LYS A 14 73.446 2.328 31.112 1.00 0.00 H new ATOM 0 HA LYS A 14 72.754 -0.341 31.995 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.060 1.309 29.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.311 -0.226 29.911 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.558 0.706 32.121 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.306 2.242 31.729 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.832 2.450 29.707 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.092 0.907 30.082 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.106 3.264 32.033 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.794 2.962 30.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.162 1.867 32.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.771 0.612 31.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.717 1.248 33.152 1.00 0.00 H new ATOM 225 N TYR A 15 74.857 -0.009 29.518 1.00 0.00 N ATOM 226 CA TYR A 15 75.762 -0.785 28.613 1.00 0.00 C ATOM 227 C TYR A 15 76.542 -1.825 29.422 1.00 0.00 C ATOM 228 O TYR A 15 76.848 -2.896 28.928 1.00 0.00 O ATOM 229 CB TYR A 15 76.738 0.181 27.924 1.00 0.00 C ATOM 230 CG TYR A 15 76.033 0.873 26.779 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.333 2.063 27.009 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.071 0.318 25.493 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.670 2.700 25.956 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.405 0.958 24.435 1.00 0.00 C ATOM 235 CZ TYR A 15 74.706 2.148 24.668 1.00 0.00 C ATOM 236 OH TYR A 15 74.053 2.778 23.631 1.00 0.00 O ATOM 0 H TYR A 15 75.011 0.999 29.522 1.00 0.00 H new ATOM 0 HA TYR A 15 75.167 -1.300 27.859 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.104 0.918 28.639 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.607 -0.364 27.555 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.305 2.489 28.001 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.611 -0.600 25.316 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.130 3.618 26.135 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.432 0.532 23.443 1.00 0.00 H new ATOM 0 HH TYR A 15 74.179 2.265 22.806 1.00 0.00 H new ATOM 246 N HIS A 16 76.866 -1.543 30.657 1.00 0.00 N ATOM 247 CA HIS A 16 77.613 -2.549 31.463 1.00 0.00 C ATOM 248 C HIS A 16 76.765 -3.826 31.554 1.00 0.00 C ATOM 249 O HIS A 16 77.277 -4.921 31.462 1.00 0.00 O ATOM 250 CB HIS A 16 77.877 -2.000 32.874 1.00 0.00 C ATOM 251 CG HIS A 16 79.087 -1.103 32.873 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.840 -0.872 34.020 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.707 -0.395 31.872 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.861 -0.058 33.679 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.825 0.260 32.387 1.00 0.00 N ATOM 0 H HIS A 16 76.648 -0.670 31.137 1.00 0.00 H new ATOM 0 HA HIS A 16 78.570 -2.767 30.989 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.006 -1.445 33.224 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.030 -2.826 33.569 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.379 -0.352 30.844 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.614 0.292 34.369 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.478 0.857 31.880 1.00 0.00 H new ATOM 263 N SER A 17 75.475 -3.694 31.726 1.00 0.00 N ATOM 264 CA SER A 17 74.613 -4.910 31.803 1.00 0.00 C ATOM 265 C SER A 17 74.694 -5.673 30.474 1.00 0.00 C ATOM 266 O SER A 17 74.891 -6.872 30.449 1.00 0.00 O ATOM 267 CB SER A 17 73.165 -4.493 32.064 1.00 0.00 C ATOM 268 OG SER A 17 72.616 -3.928 30.879 1.00 0.00 O ATOM 0 H SER A 17 74.985 -2.804 31.816 1.00 0.00 H new ATOM 0 HA SER A 17 74.957 -5.551 32.615 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.577 -5.356 32.375 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.124 -3.769 32.878 1.00 0.00 H new ATOM 0 HG SER A 17 72.860 -2.981 30.825 1.00 0.00 H new ATOM 274 N ASN A 18 74.564 -4.980 29.370 1.00 0.00 N ATOM 275 CA ASN A 18 74.654 -5.658 28.040 1.00 0.00 C ATOM 276 C ASN A 18 76.100 -5.578 27.551 1.00 0.00 C ATOM 277 O ASN A 18 76.459 -4.717 26.773 1.00 0.00 O ATOM 278 CB ASN A 18 73.733 -4.952 27.035 1.00 0.00 C ATOM 279 CG ASN A 18 72.281 -5.080 27.501 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.596 -4.092 27.673 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.780 -6.269 27.711 1.00 0.00 N ATOM 0 H ASN A 18 74.399 -3.974 29.332 1.00 0.00 H new ATOM 0 HA ASN A 18 74.346 -6.699 28.132 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.008 -3.901 26.949 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.849 -5.394 26.045 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.813 -6.368 28.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.356 -7.098 27.566 1.00 0.00 H new ATOM 288 N TRP A 19 76.939 -6.463 28.013 1.00 0.00 N ATOM 289 CA TRP A 19 78.360 -6.426 27.588 1.00 0.00 C ATOM 290 C TRP A 19 78.475 -6.830 26.114 1.00 0.00 C ATOM 291 O TRP A 19 79.391 -6.429 25.429 1.00 0.00 O ATOM 292 CB TRP A 19 79.196 -7.370 28.462 1.00 0.00 C ATOM 293 CG TRP A 19 78.792 -8.793 28.248 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.937 -9.488 29.037 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.225 -9.707 27.203 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.825 -10.776 28.541 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.597 -10.956 27.408 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.093 -9.573 26.107 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.827 -12.040 26.556 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.322 -10.659 25.246 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.691 -11.889 25.471 1.00 0.00 C ATOM 0 H TRP A 19 76.699 -7.209 28.666 1.00 0.00 H new ATOM 0 HA TRP A 19 78.739 -5.411 27.707 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.253 -7.249 28.227 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.071 -7.106 29.512 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.428 -9.102 29.908 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.244 -11.503 28.960 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.587 -8.630 25.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.340 -12.987 26.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.989 -10.545 24.405 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.873 -12.720 24.805 1.00 0.00 H new ATOM 312 N ARG A 20 77.567 -7.629 25.623 1.00 0.00 N ATOM 313 CA ARG A 20 77.653 -8.059 24.198 1.00 0.00 C ATOM 314 C ARG A 20 77.558 -6.846 23.267 1.00 0.00 C ATOM 315 O ARG A 20 78.254 -6.763 22.277 1.00 0.00 O ATOM 316 CB ARG A 20 76.502 -9.018 23.877 1.00 0.00 C ATOM 317 CG ARG A 20 76.725 -10.341 24.610 1.00 0.00 C ATOM 318 CD ARG A 20 75.580 -11.299 24.295 1.00 0.00 C ATOM 319 NE ARG A 20 75.761 -12.555 25.073 1.00 0.00 N ATOM 320 CZ ARG A 20 74.765 -13.386 25.209 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.600 -13.092 24.704 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.938 -14.507 25.852 1.00 0.00 N ATOM 0 H ARG A 20 76.773 -8.001 26.144 1.00 0.00 H new ATOM 0 HA ARG A 20 78.610 -8.558 24.046 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.552 -8.578 24.179 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.446 -9.190 22.802 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.675 -10.781 24.306 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.783 -10.168 25.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.625 -10.837 24.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.558 -11.519 23.228 1.00 0.00 H new ATOM 0 HE ARG A 20 76.663 -12.766 25.499 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.468 -12.213 24.203 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.820 -13.741 24.809 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.851 -14.733 26.247 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.161 -15.158 25.960 1.00 0.00 H new ATOM 336 N ALA A 21 76.708 -5.906 23.565 1.00 0.00 N ATOM 337 CA ALA A 21 76.601 -4.717 22.676 1.00 0.00 C ATOM 338 C ALA A 21 77.953 -3.997 22.624 1.00 0.00 C ATOM 339 O ALA A 21 78.403 -3.575 21.577 1.00 0.00 O ATOM 340 CB ALA A 21 75.520 -3.764 23.205 1.00 0.00 C ATOM 0 H ALA A 21 76.089 -5.907 24.376 1.00 0.00 H new ATOM 0 HA ALA A 21 76.325 -5.040 21.672 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.447 -2.896 22.549 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.561 -4.281 23.231 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.783 -3.438 24.211 1.00 0.00 H new ATOM 346 N MET A 22 78.605 -3.856 23.747 1.00 0.00 N ATOM 347 CA MET A 22 79.924 -3.159 23.763 1.00 0.00 C ATOM 348 C MET A 22 80.938 -3.939 22.929 1.00 0.00 C ATOM 349 O MET A 22 81.716 -3.373 22.192 1.00 0.00 O ATOM 350 CB MET A 22 80.422 -3.072 25.207 1.00 0.00 C ATOM 351 CG MET A 22 81.774 -2.359 25.254 1.00 0.00 C ATOM 352 SD MET A 22 82.233 -2.061 26.978 1.00 0.00 S ATOM 353 CE MET A 22 82.338 -3.790 27.499 1.00 0.00 C ATOM 0 H MET A 22 78.282 -4.193 24.654 1.00 0.00 H new ATOM 0 HA MET A 22 79.810 -2.160 23.343 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.697 -2.534 25.818 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.515 -4.073 25.629 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.535 -2.965 24.763 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.719 -1.415 24.712 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.939 -3.861 28.406 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.336 -4.172 27.696 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.802 -4.380 26.709 1.00 0.00 H new ATOM 363 N ALA A 23 80.936 -5.233 23.035 1.00 0.00 N ATOM 364 CA ALA A 23 81.906 -6.036 22.244 1.00 0.00 C ATOM 365 C ALA A 23 81.652 -5.822 20.752 1.00 0.00 C ATOM 366 O ALA A 23 82.572 -5.648 19.977 1.00 0.00 O ATOM 367 CB ALA A 23 81.738 -7.520 22.580 1.00 0.00 C ATOM 0 H ALA A 23 80.308 -5.770 23.632 1.00 0.00 H new ATOM 0 HA ALA A 23 82.920 -5.720 22.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.450 -8.107 22.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.921 -7.675 23.643 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.723 -7.836 22.337 1.00 0.00 H new ATOM 373 N SER A 24 80.413 -5.839 20.343 1.00 0.00 N ATOM 374 CA SER A 24 80.108 -5.642 18.898 1.00 0.00 C ATOM 375 C SER A 24 80.428 -4.203 18.485 1.00 0.00 C ATOM 376 O SER A 24 80.941 -3.952 17.412 1.00 0.00 O ATOM 377 CB SER A 24 78.627 -5.920 18.644 1.00 0.00 C ATOM 378 OG SER A 24 78.362 -7.296 18.873 1.00 0.00 O ATOM 0 H SER A 24 79.601 -5.980 20.945 1.00 0.00 H new ATOM 0 HA SER A 24 80.718 -6.329 18.312 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.012 -5.305 19.301 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.365 -5.653 17.620 1.00 0.00 H new ATOM 0 HG SER A 24 77.412 -7.477 18.713 1.00 0.00 H new ATOM 384 N ASP A 25 80.124 -3.255 19.326 1.00 0.00 N ATOM 385 CA ASP A 25 80.398 -1.835 18.978 1.00 0.00 C ATOM 386 C ASP A 25 81.901 -1.625 18.754 1.00 0.00 C ATOM 387 O ASP A 25 82.310 -0.939 17.839 1.00 0.00 O ATOM 388 CB ASP A 25 79.910 -0.941 20.118 1.00 0.00 C ATOM 389 CG ASP A 25 80.188 0.520 19.777 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.350 0.875 19.694 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.232 1.260 19.606 1.00 0.00 O ATOM 0 H ASP A 25 79.697 -3.403 20.240 1.00 0.00 H new ATOM 0 HA ASP A 25 79.872 -1.578 18.058 1.00 0.00 H new ATOM 0 HB2 ASP A 25 78.842 -1.091 20.280 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.414 -1.211 21.046 1.00 0.00 H new ATOM 396 N PHE A 26 82.728 -2.218 19.576 1.00 0.00 N ATOM 397 CA PHE A 26 84.209 -2.058 19.414 1.00 0.00 C ATOM 398 C PHE A 26 84.771 -3.274 18.671 1.00 0.00 C ATOM 399 O PHE A 26 85.955 -3.375 18.427 1.00 0.00 O ATOM 400 CB PHE A 26 84.860 -1.944 20.794 1.00 0.00 C ATOM 401 CG PHE A 26 84.530 -0.599 21.400 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.286 -0.393 22.007 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.466 0.440 21.352 1.00 0.00 C ATOM 404 CE1 PHE A 26 82.978 0.851 22.566 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.156 1.687 21.912 1.00 0.00 C ATOM 406 CZ PHE A 26 83.913 1.891 22.519 1.00 0.00 C ATOM 0 H PHE A 26 82.442 -2.809 20.357 1.00 0.00 H new ATOM 0 HA PHE A 26 84.423 -1.156 18.841 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.503 -2.744 21.443 1.00 0.00 H new ATOM 0 HB3 PHE A 26 85.940 -2.061 20.709 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.564 -1.195 22.044 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.426 0.281 20.884 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.018 1.009 23.034 1.00 0.00 H new ATOM 0 HE2 PHE A 26 85.877 2.490 21.875 1.00 0.00 H new ATOM 0 HZ PHE A 26 83.675 2.851 22.952 1.00 0.00 H new ATOM 416 N ASN A 27 83.918 -4.190 18.297 1.00 0.00 N ATOM 417 CA ASN A 27 84.376 -5.400 17.552 1.00 0.00 C ATOM 418 C ASN A 27 85.474 -6.130 18.333 1.00 0.00 C ATOM 419 O ASN A 27 86.453 -6.572 17.766 1.00 0.00 O ATOM 420 CB ASN A 27 84.922 -4.994 16.176 1.00 0.00 C ATOM 421 CG ASN A 27 83.826 -4.296 15.370 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.717 -4.783 15.275 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.092 -3.157 14.787 1.00 0.00 N ATOM 0 H ASN A 27 82.915 -4.152 18.477 1.00 0.00 H new ATOM 0 HA ASN A 27 83.523 -6.067 17.427 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.778 -4.329 16.296 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.275 -5.875 15.640 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.368 -2.677 14.252 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.023 -2.748 14.867 1.00 0.00 H new ATOM 430 N LEU A 28 85.312 -6.277 19.625 1.00 0.00 N ATOM 431 CA LEU A 28 86.338 -6.995 20.456 1.00 0.00 C ATOM 432 C LEU A 28 85.724 -8.310 20.953 1.00 0.00 C ATOM 433 O LEU A 28 84.528 -8.393 21.149 1.00 0.00 O ATOM 434 CB LEU A 28 86.702 -6.132 21.670 1.00 0.00 C ATOM 435 CG LEU A 28 87.465 -4.874 21.223 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.383 -3.809 22.324 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.940 -5.207 20.955 1.00 0.00 C ATOM 0 H LEU A 28 84.508 -5.929 20.147 1.00 0.00 H new ATOM 0 HA LEU A 28 87.231 -7.189 19.862 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.797 -5.845 22.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.313 -6.709 22.364 1.00 0.00 H new ATOM 0 HG LEU A 28 87.013 -4.499 20.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.924 -2.917 22.008 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.339 -3.555 22.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 87.828 -4.198 23.240 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.465 -4.305 20.640 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.397 -5.593 21.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.006 -5.959 20.169 1.00 0.00 H new ATOM 449 N PRO A 29 86.518 -9.332 21.163 1.00 0.00 N ATOM 450 CA PRO A 29 85.990 -10.640 21.650 1.00 0.00 C ATOM 451 C PRO A 29 85.489 -10.535 23.105 1.00 0.00 C ATOM 452 O PRO A 29 86.009 -9.756 23.881 1.00 0.00 O ATOM 453 CB PRO A 29 87.199 -11.586 21.549 1.00 0.00 C ATOM 454 CG PRO A 29 88.396 -10.692 21.610 1.00 0.00 C ATOM 455 CD PRO A 29 87.978 -9.369 20.963 1.00 0.00 C ATOM 0 HA PRO A 29 85.134 -10.986 21.071 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.204 -12.309 22.365 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.178 -12.155 20.620 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.713 -10.537 22.641 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.239 -11.135 21.080 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.469 -8.519 21.436 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.239 -9.340 19.905 1.00 0.00 H new ATOM 463 N PRO A 30 84.491 -11.304 23.484 1.00 0.00 N ATOM 464 CA PRO A 30 83.946 -11.267 24.870 1.00 0.00 C ATOM 465 C PRO A 30 85.058 -11.192 25.924 1.00 0.00 C ATOM 466 O PRO A 30 84.835 -10.836 27.063 1.00 0.00 O ATOM 467 CB PRO A 30 83.194 -12.599 24.990 1.00 0.00 C ATOM 468 CG PRO A 30 82.744 -12.918 23.596 1.00 0.00 C ATOM 469 CD PRO A 30 83.773 -12.289 22.648 1.00 0.00 C ATOM 0 HA PRO A 30 83.322 -10.390 25.041 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.840 -13.383 25.385 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.345 -12.513 25.669 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.686 -13.996 23.445 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.748 -12.516 23.409 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.453 -13.040 22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.288 -11.810 21.797 1.00 0.00 H new ATOM 477 N VAL A 31 86.247 -11.574 25.559 1.00 0.00 N ATOM 478 CA VAL A 31 87.366 -11.572 26.542 1.00 0.00 C ATOM 479 C VAL A 31 87.607 -10.168 27.100 1.00 0.00 C ATOM 480 O VAL A 31 87.657 -9.971 28.295 1.00 0.00 O ATOM 481 CB VAL A 31 88.628 -12.082 25.842 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.852 -11.917 26.747 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.440 -13.559 25.493 1.00 0.00 C ATOM 0 H VAL A 31 86.494 -11.888 24.621 1.00 0.00 H new ATOM 0 HA VAL A 31 87.109 -12.221 27.379 1.00 0.00 H new ATOM 0 HB VAL A 31 88.792 -11.501 24.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.738 -12.285 26.231 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.985 -10.863 26.990 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.705 -12.485 27.665 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.334 -13.932 24.994 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.270 -14.130 26.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.582 -13.670 24.830 1.00 0.00 H new ATOM 493 N VAL A 32 87.765 -9.193 26.256 1.00 0.00 N ATOM 494 CA VAL A 32 88.002 -7.818 26.769 1.00 0.00 C ATOM 495 C VAL A 32 86.727 -7.305 27.440 1.00 0.00 C ATOM 496 O VAL A 32 86.767 -6.682 28.478 1.00 0.00 O ATOM 497 CB VAL A 32 88.397 -6.906 25.605 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.407 -5.440 26.063 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.796 -7.296 25.125 1.00 0.00 C ATOM 0 H VAL A 32 87.741 -9.285 25.240 1.00 0.00 H new ATOM 0 HA VAL A 32 88.809 -7.825 27.501 1.00 0.00 H new ATOM 0 HB VAL A 32 87.676 -7.019 24.795 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.689 -4.800 25.227 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.413 -5.162 26.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.126 -5.317 26.873 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.088 -6.653 24.295 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.507 -7.179 25.943 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.791 -8.335 24.794 1.00 0.00 H new ATOM 509 N ALA A 33 85.595 -7.565 26.846 1.00 0.00 N ATOM 510 CA ALA A 33 84.313 -7.095 27.447 1.00 0.00 C ATOM 511 C ALA A 33 84.080 -7.782 28.794 1.00 0.00 C ATOM 512 O ALA A 33 83.685 -7.156 29.762 1.00 0.00 O ATOM 513 CB ALA A 33 83.159 -7.421 26.501 1.00 0.00 C ATOM 0 H ALA A 33 85.501 -8.082 25.972 1.00 0.00 H new ATOM 0 HA ALA A 33 84.366 -6.018 27.603 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.222 -7.078 26.939 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.318 -6.920 25.546 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.112 -8.498 26.342 1.00 0.00 H new ATOM 519 N LYS A 34 84.317 -9.067 28.871 1.00 0.00 N ATOM 520 CA LYS A 34 84.105 -9.774 30.166 1.00 0.00 C ATOM 521 C LYS A 34 85.072 -9.226 31.218 1.00 0.00 C ATOM 522 O LYS A 34 84.718 -9.053 32.371 1.00 0.00 O ATOM 523 CB LYS A 34 84.310 -11.283 29.984 1.00 0.00 C ATOM 524 CG LYS A 34 83.088 -11.887 29.277 1.00 0.00 C ATOM 525 CD LYS A 34 83.308 -13.380 29.041 1.00 0.00 C ATOM 526 CE LYS A 34 82.013 -14.017 28.529 1.00 0.00 C ATOM 527 NZ LYS A 34 81.024 -14.086 29.643 1.00 0.00 N ATOM 0 H LYS A 34 84.645 -9.650 28.101 1.00 0.00 H new ATOM 0 HA LYS A 34 83.083 -9.603 30.504 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.211 -11.470 29.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.455 -11.760 30.953 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.194 -11.734 29.882 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.920 -11.381 28.326 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.109 -13.530 28.317 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.621 -13.862 29.967 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.608 -13.432 27.703 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.214 -15.016 28.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.308 -14.808 29.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.513 -14.336 30.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.561 -13.161 29.754 1.00 0.00 H new ATOM 541 N GLU A 35 86.295 -8.961 30.844 1.00 0.00 N ATOM 542 CA GLU A 35 87.273 -8.433 31.839 1.00 0.00 C ATOM 543 C GLU A 35 86.790 -7.090 32.389 1.00 0.00 C ATOM 544 O GLU A 35 86.892 -6.825 33.570 1.00 0.00 O ATOM 545 CB GLU A 35 88.643 -8.245 31.179 1.00 0.00 C ATOM 546 CG GLU A 35 89.694 -7.919 32.254 1.00 0.00 C ATOM 547 CD GLU A 35 89.588 -6.444 32.664 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.190 -5.641 31.836 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.913 -6.143 33.800 1.00 0.00 O ATOM 0 H GLU A 35 86.658 -9.086 29.899 1.00 0.00 H new ATOM 0 HA GLU A 35 87.359 -9.149 32.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.926 -9.150 30.642 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.597 -7.440 30.445 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.546 -8.558 33.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.693 -8.128 31.872 1.00 0.00 H new ATOM 556 N ILE A 36 86.258 -6.241 31.550 1.00 0.00 N ATOM 557 CA ILE A 36 85.770 -4.923 32.051 1.00 0.00 C ATOM 558 C ILE A 36 84.624 -5.179 33.016 1.00 0.00 C ATOM 559 O ILE A 36 84.513 -4.560 34.059 1.00 0.00 O ATOM 560 CB ILE A 36 85.284 -4.074 30.873 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.470 -3.770 29.962 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.689 -2.759 31.386 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.974 -3.114 28.673 1.00 0.00 C ATOM 0 H ILE A 36 86.141 -6.401 30.549 1.00 0.00 H new ATOM 0 HA ILE A 36 86.572 -4.387 32.558 1.00 0.00 H new ATOM 0 HB ILE A 36 84.518 -4.620 30.323 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.172 -3.109 30.471 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.008 -4.689 29.730 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.346 -2.161 30.542 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.848 -2.973 32.045 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.450 -2.206 31.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.823 -2.898 28.025 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.289 -3.790 28.161 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.456 -2.186 28.913 1.00 0.00 H new ATOM 575 N VAL A 37 83.782 -6.114 32.679 1.00 0.00 N ATOM 576 CA VAL A 37 82.647 -6.455 33.567 1.00 0.00 C ATOM 577 C VAL A 37 83.197 -6.980 34.891 1.00 0.00 C ATOM 578 O VAL A 37 82.687 -6.684 35.951 1.00 0.00 O ATOM 579 CB VAL A 37 81.803 -7.547 32.898 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.779 -8.096 33.894 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.061 -6.959 31.696 1.00 0.00 C ATOM 0 H VAL A 37 83.835 -6.659 31.818 1.00 0.00 H new ATOM 0 HA VAL A 37 82.032 -5.574 33.747 1.00 0.00 H new ATOM 0 HB VAL A 37 82.461 -8.351 32.569 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.183 -8.871 33.413 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.298 -8.519 34.754 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.125 -7.289 34.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.462 -7.737 31.222 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.409 -6.152 32.030 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.783 -6.569 30.978 1.00 0.00 H new ATOM 591 N ALA A 38 84.230 -7.768 34.829 1.00 0.00 N ATOM 592 CA ALA A 38 84.811 -8.337 36.071 1.00 0.00 C ATOM 593 C ALA A 38 85.467 -7.228 36.894 1.00 0.00 C ATOM 594 O ALA A 38 85.515 -7.290 38.108 1.00 0.00 O ATOM 595 CB ALA A 38 85.855 -9.394 35.702 1.00 0.00 C ATOM 0 H ALA A 38 84.699 -8.044 33.966 1.00 0.00 H new ATOM 0 HA ALA A 38 84.020 -8.797 36.664 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.284 -9.814 36.611 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.381 -10.187 35.124 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.644 -8.934 35.107 1.00 0.00 H new ATOM 601 N SER A 39 85.973 -6.211 36.251 1.00 0.00 N ATOM 602 CA SER A 39 86.627 -5.104 37.005 1.00 0.00 C ATOM 603 C SER A 39 85.569 -4.312 37.760 1.00 0.00 C ATOM 604 O SER A 39 85.780 -3.882 38.878 1.00 0.00 O ATOM 605 CB SER A 39 87.345 -4.170 36.030 1.00 0.00 C ATOM 606 OG SER A 39 88.493 -4.827 35.500 1.00 0.00 O ATOM 0 H SER A 39 85.962 -6.099 35.237 1.00 0.00 H new ATOM 0 HA SER A 39 87.347 -5.525 37.707 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.672 -3.883 35.222 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.641 -3.253 36.539 1.00 0.00 H new ATOM 0 HG SER A 39 88.254 -5.279 34.664 1.00 0.00 H new ATOM 612 N CYS A 40 84.430 -4.112 37.166 1.00 0.00 N ATOM 613 CA CYS A 40 83.367 -3.345 37.862 1.00 0.00 C ATOM 614 C CYS A 40 82.753 -4.226 38.950 1.00 0.00 C ATOM 615 O CYS A 40 82.081 -5.198 38.675 1.00 0.00 O ATOM 616 CB CYS A 40 82.293 -2.921 36.857 1.00 0.00 C ATOM 617 SG CYS A 40 81.235 -1.656 37.600 1.00 0.00 S ATOM 0 H CYS A 40 84.190 -4.445 36.232 1.00 0.00 H new ATOM 0 HA CYS A 40 83.792 -2.450 38.316 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.760 -2.533 35.952 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.695 -3.783 36.563 1.00 0.00 H new ATOM 0 HG CYS A 40 80.786 -0.866 36.671 1.00 0.00 H new ATOM 622 N ASP A 41 82.999 -3.886 40.184 1.00 0.00 N ATOM 623 CA ASP A 41 82.459 -4.680 41.321 1.00 0.00 C ATOM 624 C ASP A 41 80.931 -4.699 41.266 1.00 0.00 C ATOM 625 O ASP A 41 80.295 -5.697 41.552 1.00 0.00 O ATOM 626 CB ASP A 41 82.907 -4.044 42.636 1.00 0.00 C ATOM 627 CG ASP A 41 84.394 -4.314 42.855 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.202 -3.624 42.257 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.700 -5.219 43.616 1.00 0.00 O ATOM 0 H ASP A 41 83.560 -3.079 40.456 1.00 0.00 H new ATOM 0 HA ASP A 41 82.833 -5.702 41.255 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.721 -2.970 42.614 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.327 -4.451 43.465 1.00 0.00 H new ATOM 634 N LYS A 42 80.332 -3.598 40.930 1.00 0.00 N ATOM 635 CA LYS A 42 78.847 -3.552 40.884 1.00 0.00 C ATOM 636 C LYS A 42 78.337 -4.582 39.881 1.00 0.00 C ATOM 637 O LYS A 42 77.345 -5.244 40.111 1.00 0.00 O ATOM 638 CB LYS A 42 78.391 -2.154 40.467 1.00 0.00 C ATOM 639 CG LYS A 42 78.682 -1.164 41.603 1.00 0.00 C ATOM 640 CD LYS A 42 78.081 0.210 41.277 1.00 0.00 C ATOM 641 CE LYS A 42 78.957 0.939 40.254 1.00 0.00 C ATOM 642 NZ LYS A 42 78.451 2.327 40.058 1.00 0.00 N ATOM 0 H LYS A 42 80.804 -2.727 40.685 1.00 0.00 H new ATOM 0 HA LYS A 42 78.445 -3.781 41.871 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.910 -1.846 39.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.325 -2.160 40.239 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.265 -1.539 42.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.758 -1.073 41.749 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.072 0.090 40.883 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.999 0.805 42.187 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.991 0.964 40.598 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.949 0.402 39.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.048 2.819 39.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.471 2.294 39.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.480 2.838 40.963 1.00 0.00 H new ATOM 656 N CYS A 43 79.000 -4.729 38.773 1.00 0.00 N ATOM 657 CA CYS A 43 78.539 -5.723 37.762 1.00 0.00 C ATOM 658 C CYS A 43 78.916 -7.152 38.197 1.00 0.00 C ATOM 659 O CYS A 43 78.114 -8.063 38.128 1.00 0.00 O ATOM 660 CB CYS A 43 79.205 -5.435 36.416 1.00 0.00 C ATOM 661 SG CYS A 43 78.902 -3.720 35.928 1.00 0.00 S ATOM 0 H CYS A 43 79.839 -4.207 38.521 1.00 0.00 H new ATOM 0 HA CYS A 43 77.455 -5.644 37.674 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.277 -5.618 36.485 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.815 -6.112 35.656 1.00 0.00 H new ATOM 0 HG CYS A 43 79.692 -2.933 36.596 1.00 0.00 H new ATOM 666 N GLN A 44 80.145 -7.355 38.609 1.00 0.00 N ATOM 667 CA GLN A 44 80.604 -8.727 39.008 1.00 0.00 C ATOM 668 C GLN A 44 79.845 -9.218 40.244 1.00 0.00 C ATOM 669 O GLN A 44 79.182 -10.236 40.205 1.00 0.00 O ATOM 670 CB GLN A 44 82.103 -8.671 39.340 1.00 0.00 C ATOM 671 CG GLN A 44 82.621 -10.064 39.733 1.00 0.00 C ATOM 672 CD GLN A 44 84.115 -9.977 40.068 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.962 -9.637 39.135 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.514 -10.213 41.191 1.00 0.00 N ATOM 0 H GLN A 44 80.855 -6.626 38.687 1.00 0.00 H new ATOM 0 HA GLN A 44 80.414 -9.413 38.183 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.658 -8.300 38.479 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.275 -7.969 40.156 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.066 -10.441 40.592 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.461 -10.767 38.916 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.854 -10.479 41.921 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.509 -10.145 41.403 1.00 0.00 H new ATOM 844 N PHE B 1 93.636 -14.174 21.725 1.00 0.00 N ATOM 845 CA PHE B 1 92.573 -13.891 22.730 1.00 0.00 C ATOM 846 C PHE B 1 91.979 -15.208 23.243 1.00 0.00 C ATOM 847 O PHE B 1 92.429 -15.772 24.221 1.00 0.00 O ATOM 848 CB PHE B 1 91.456 -13.067 22.083 1.00 0.00 C ATOM 849 CG PHE B 1 91.918 -11.647 21.846 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.719 -11.345 20.736 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.526 -10.627 22.724 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.125 -10.022 20.505 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.934 -9.309 22.493 1.00 0.00 C ATOM 854 CZ PHE B 1 92.730 -9.005 21.383 1.00 0.00 C ATOM 0 H1 PHE B 1 93.845 -13.308 21.188 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.497 -14.496 22.212 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.309 -14.916 21.073 1.00 0.00 H new ATOM 0 HA PHE B 1 93.012 -13.335 23.559 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.160 -13.522 21.138 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.576 -13.067 22.726 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.023 -12.130 20.059 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.909 -10.859 23.579 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.742 -9.788 19.650 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.634 -8.525 23.172 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.040 -7.986 21.203 1.00 0.00 H new ATOM 866 N LEU B 2 90.956 -15.687 22.592 1.00 0.00 N ATOM 867 CA LEU B 2 90.301 -16.949 23.029 1.00 0.00 C ATOM 868 C LEU B 2 91.281 -18.124 22.983 1.00 0.00 C ATOM 869 O LEU B 2 91.318 -18.940 23.884 1.00 0.00 O ATOM 870 CB LEU B 2 89.129 -17.240 22.091 1.00 0.00 C ATOM 871 CG LEU B 2 88.086 -16.117 22.196 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.149 -16.190 20.994 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.265 -16.264 23.490 1.00 0.00 C ATOM 0 H LEU B 2 90.542 -15.252 21.767 1.00 0.00 H new ATOM 0 HA LEU B 2 89.957 -16.829 24.056 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.485 -17.323 21.064 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.674 -18.196 22.349 1.00 0.00 H new ATOM 0 HG LEU B 2 88.601 -15.156 22.213 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.406 -15.395 21.063 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.725 -16.070 20.076 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.646 -17.157 20.983 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.531 -15.460 23.548 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.751 -17.225 23.488 1.00 0.00 H new ATOM 0 HD23 LEU B 2 87.931 -16.211 24.351 1.00 0.00 H new ATOM 885 N ASP B 3 92.067 -18.225 21.949 1.00 0.00 N ATOM 886 CA ASP B 3 93.024 -19.364 21.856 1.00 0.00 C ATOM 887 C ASP B 3 94.019 -19.304 23.010 1.00 0.00 C ATOM 888 O ASP B 3 94.351 -20.310 23.606 1.00 0.00 O ATOM 889 CB ASP B 3 93.790 -19.278 20.537 1.00 0.00 C ATOM 890 CG ASP B 3 92.863 -19.631 19.375 1.00 0.00 C ATOM 891 OD1 ASP B 3 91.791 -20.148 19.635 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.247 -19.384 18.242 1.00 0.00 O ATOM 0 H ASP B 3 92.089 -17.571 21.166 1.00 0.00 H new ATOM 0 HA ASP B 3 92.467 -20.300 21.904 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.189 -18.273 20.403 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.641 -19.959 20.555 1.00 0.00 H new ATOM 897 N GLY B 4 94.492 -18.136 23.333 1.00 0.00 N ATOM 898 CA GLY B 4 95.466 -18.011 24.455 1.00 0.00 C ATOM 899 C GLY B 4 94.811 -18.488 25.748 1.00 0.00 C ATOM 900 O GLY B 4 95.424 -19.143 26.573 1.00 0.00 O ATOM 0 H GLY B 4 94.248 -17.261 22.870 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.357 -18.603 24.246 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.788 -16.975 24.558 1.00 0.00 H new ATOM 904 N ILE B 5 93.566 -18.156 25.933 1.00 0.00 N ATOM 905 CA ILE B 5 92.856 -18.575 27.172 1.00 0.00 C ATOM 906 C ILE B 5 92.687 -20.101 27.210 1.00 0.00 C ATOM 907 O ILE B 5 92.819 -20.716 28.251 1.00 0.00 O ATOM 908 CB ILE B 5 91.475 -17.902 27.205 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.644 -16.424 27.568 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.569 -18.593 28.235 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.334 -15.682 27.294 1.00 0.00 C ATOM 0 H ILE B 5 93.007 -17.610 25.277 1.00 0.00 H new ATOM 0 HA ILE B 5 93.443 -18.273 28.040 1.00 0.00 H new ATOM 0 HB ILE B 5 91.010 -17.988 26.223 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.918 -16.325 28.618 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.453 -15.985 26.984 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.594 -18.105 28.247 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.447 -19.642 27.966 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.022 -18.522 29.224 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.451 -14.629 27.552 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.079 -15.771 26.238 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.537 -16.116 27.897 1.00 0.00 H new ATOM 923 N ASP B 6 92.376 -20.715 26.106 1.00 0.00 N ATOM 924 CA ASP B 6 92.184 -22.192 26.126 1.00 0.00 C ATOM 925 C ASP B 6 93.465 -22.880 26.579 1.00 0.00 C ATOM 926 O ASP B 6 93.442 -23.768 27.405 1.00 0.00 O ATOM 927 CB ASP B 6 91.821 -22.690 24.724 1.00 0.00 C ATOM 928 CG ASP B 6 90.381 -22.289 24.393 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.499 -22.613 25.174 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.182 -21.668 23.362 1.00 0.00 O ATOM 0 H ASP B 6 92.247 -20.266 25.199 1.00 0.00 H new ATOM 0 HA ASP B 6 91.378 -22.428 26.821 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.505 -22.267 23.988 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.928 -23.774 24.673 1.00 0.00 H new ATOM 935 N LYS B 7 94.584 -22.484 26.044 1.00 0.00 N ATOM 936 CA LYS B 7 95.856 -23.133 26.450 1.00 0.00 C ATOM 937 C LYS B 7 96.155 -22.763 27.910 1.00 0.00 C ATOM 938 O LYS B 7 96.593 -23.578 28.695 1.00 0.00 O ATOM 939 CB LYS B 7 96.987 -22.638 25.546 1.00 0.00 C ATOM 940 CG LYS B 7 98.236 -23.484 25.782 1.00 0.00 C ATOM 941 CD LYS B 7 99.377 -22.968 24.899 1.00 0.00 C ATOM 942 CE LYS B 7 100.619 -23.837 25.100 1.00 0.00 C ATOM 943 NZ LYS B 7 101.656 -23.466 24.098 1.00 0.00 N ATOM 0 H LYS B 7 94.672 -21.744 25.348 1.00 0.00 H new ATOM 0 HA LYS B 7 95.773 -24.216 26.356 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.685 -22.701 24.501 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.201 -21.590 25.754 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.526 -23.439 26.832 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.029 -24.529 25.553 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.075 -22.985 23.852 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.603 -21.931 25.149 1.00 0.00 H new ATOM 0 HE2 LYS B 7 101.009 -23.703 26.109 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.359 -24.890 24.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 102.500 -24.058 24.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.282 -23.615 23.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.912 -22.465 24.218 1.00 0.00 H new ATOM 957 N ALA B 8 95.907 -21.531 28.275 1.00 0.00 N ATOM 958 CA ALA B 8 96.161 -21.086 29.680 1.00 0.00 C ATOM 959 C ALA B 8 95.136 -21.726 30.624 1.00 0.00 C ATOM 960 O ALA B 8 95.397 -21.939 31.793 1.00 0.00 O ATOM 961 CB ALA B 8 96.053 -19.560 29.761 1.00 0.00 C ATOM 0 H ALA B 8 95.537 -20.809 27.656 1.00 0.00 H new ATOM 0 HA ALA B 8 97.162 -21.396 29.979 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.238 -19.236 30.785 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.791 -19.107 29.098 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.053 -19.249 29.457 1.00 0.00 H new ATOM 967 N GLN B 9 93.967 -22.002 30.129 1.00 0.00 N ATOM 968 CA GLN B 9 92.910 -22.598 30.990 1.00 0.00 C ATOM 969 C GLN B 9 93.390 -23.950 31.519 1.00 0.00 C ATOM 970 O GLN B 9 94.027 -24.713 30.819 1.00 0.00 O ATOM 971 CB GLN B 9 91.642 -22.779 30.153 1.00 0.00 C ATOM 972 CG GLN B 9 90.518 -23.350 31.022 1.00 0.00 C ATOM 973 CD GLN B 9 89.261 -23.517 30.169 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.174 -22.979 29.084 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.275 -24.240 30.614 1.00 0.00 N ATOM 0 H GLN B 9 93.695 -21.840 29.159 1.00 0.00 H new ATOM 0 HA GLN B 9 92.698 -21.945 31.836 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.336 -21.822 29.730 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.841 -23.448 29.316 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.818 -24.310 31.441 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.317 -22.684 31.861 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.345 -24.693 31.525 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.432 -24.354 30.052 1.00 0.00 H new ATOM 984 N GLU B 10 93.101 -24.246 32.758 1.00 0.00 N ATOM 985 CA GLU B 10 93.550 -25.540 33.346 1.00 0.00 C ATOM 986 C GLU B 10 92.784 -25.765 34.658 1.00 0.00 C ATOM 987 O GLU B 10 91.965 -24.956 35.048 1.00 0.00 O ATOM 988 CB GLU B 10 95.067 -25.459 33.617 1.00 0.00 C ATOM 989 CG GLU B 10 95.692 -26.856 33.638 1.00 0.00 C ATOM 990 CD GLU B 10 97.216 -26.725 33.639 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.690 -25.602 33.612 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.883 -27.747 33.662 1.00 0.00 O ATOM 0 H GLU B 10 92.572 -23.645 33.390 1.00 0.00 H new ATOM 0 HA GLU B 10 93.354 -26.369 32.666 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.546 -24.853 32.848 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.244 -24.962 34.571 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.361 -27.402 34.521 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.365 -27.427 32.769 1.00 0.00 H new ATOM 999 N GLU B 11 93.028 -26.851 35.341 1.00 0.00 N ATOM 1000 CA GLU B 11 92.300 -27.107 36.616 1.00 0.00 C ATOM 1001 C GLU B 11 92.602 -25.990 37.621 1.00 0.00 C ATOM 1002 O GLU B 11 93.644 -25.366 37.583 1.00 0.00 O ATOM 1003 CB GLU B 11 92.734 -28.454 37.203 1.00 0.00 C ATOM 1004 CG GLU B 11 91.973 -28.715 38.509 1.00 0.00 C ATOM 1005 CD GLU B 11 92.288 -30.123 39.016 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.010 -30.829 38.333 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.799 -30.475 40.079 1.00 0.00 O ATOM 0 H GLU B 11 93.699 -27.570 35.071 1.00 0.00 H new ATOM 0 HA GLU B 11 91.229 -27.131 36.413 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.537 -29.254 36.489 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.808 -28.452 37.390 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.255 -27.976 39.259 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.901 -28.609 38.344 1.00 0.00 H new ATOM 1014 N HIS B 12 91.686 -25.740 38.524 1.00 0.00 N ATOM 1015 CA HIS B 12 91.887 -24.665 39.542 1.00 0.00 C ATOM 1016 C HIS B 12 93.056 -25.033 40.450 1.00 0.00 C ATOM 1017 O HIS B 12 92.884 -25.379 41.597 1.00 0.00 O ATOM 1018 CB HIS B 12 90.602 -24.540 40.363 1.00 0.00 C ATOM 1019 CG HIS B 12 90.774 -23.574 41.509 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.518 -22.212 41.380 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.093 -23.771 42.830 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.675 -21.649 42.596 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.028 -22.558 43.513 1.00 0.00 N ATOM 0 H HIS B 12 90.800 -26.240 38.599 1.00 0.00 H new ATOM 0 HA HIS B 12 92.112 -23.716 39.055 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.789 -24.203 39.720 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.318 -25.519 40.749 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.258 -21.727 40.521 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.354 -24.721 43.272 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.534 -20.599 42.803 1.00 0.00 H new ATOM 1031 N GLU B 13 94.246 -24.947 39.931 1.00 0.00 N ATOM 1032 CA GLU B 13 95.448 -25.277 40.742 1.00 0.00 C ATOM 1033 C GLU B 13 95.885 -24.047 41.526 1.00 0.00 C ATOM 1034 O GLU B 13 95.155 -23.085 41.659 1.00 0.00 O ATOM 1035 CB GLU B 13 96.577 -25.698 39.809 1.00 0.00 C ATOM 1036 CG GLU B 13 96.179 -26.979 39.076 1.00 0.00 C ATOM 1037 CD GLU B 13 97.228 -27.302 38.012 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.558 -26.411 37.245 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.685 -28.431 37.983 1.00 0.00 O ATOM 0 H GLU B 13 94.439 -24.660 38.972 1.00 0.00 H new ATOM 0 HA GLU B 13 95.212 -26.087 41.433 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.785 -24.905 39.091 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.492 -25.861 40.378 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.096 -27.805 39.783 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.200 -26.857 38.612 1.00 0.00 H new ATOM 1046 N LYS B 14 97.075 -24.078 42.042 1.00 0.00 N ATOM 1047 CA LYS B 14 97.593 -22.917 42.819 1.00 0.00 C ATOM 1048 C LYS B 14 97.853 -21.742 41.870 1.00 0.00 C ATOM 1049 O LYS B 14 97.768 -20.591 42.251 1.00 0.00 O ATOM 1050 CB LYS B 14 98.890 -23.328 43.507 1.00 0.00 C ATOM 1051 CG LYS B 14 98.579 -24.369 44.585 1.00 0.00 C ATOM 1052 CD LYS B 14 99.873 -24.784 45.284 1.00 0.00 C ATOM 1053 CE LYS B 14 99.566 -25.825 46.358 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.834 -25.169 47.479 1.00 0.00 N ATOM 0 H LYS B 14 97.720 -24.864 41.960 1.00 0.00 H new ATOM 0 HA LYS B 14 96.862 -22.611 43.568 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.588 -23.739 42.778 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.371 -22.457 43.953 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.877 -23.958 45.311 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.100 -25.240 44.137 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.575 -25.193 44.558 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.350 -23.913 45.734 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.966 -26.632 45.938 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.491 -26.272 46.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.873 -25.777 48.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.276 -24.252 47.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.842 -25.020 47.206 1.00 0.00 H new ATOM 1068 N TYR B 15 98.179 -22.025 40.640 1.00 0.00 N ATOM 1069 CA TYR B 15 98.458 -20.929 39.664 1.00 0.00 C ATOM 1070 C TYR B 15 97.251 -19.994 39.570 1.00 0.00 C ATOM 1071 O TYR B 15 97.398 -18.806 39.371 1.00 0.00 O ATOM 1072 CB TYR B 15 98.762 -21.536 38.287 1.00 0.00 C ATOM 1073 CG TYR B 15 100.179 -22.053 38.280 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.447 -23.355 38.708 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.224 -21.224 37.863 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.759 -23.832 38.720 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.541 -21.702 37.870 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.807 -23.008 38.302 1.00 0.00 C ATOM 1079 OH TYR B 15 104.103 -23.479 38.316 1.00 0.00 O ATOM 0 H TYR B 15 98.265 -22.970 40.265 1.00 0.00 H new ATOM 0 HA TYR B 15 99.321 -20.355 40.002 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.065 -22.345 38.070 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.631 -20.785 37.508 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.638 -23.994 39.030 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.017 -20.216 37.536 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.964 -24.839 39.053 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.350 -21.065 37.543 1.00 0.00 H new ATOM 0 HH TYR B 15 104.709 -22.779 37.994 1.00 0.00 H new ATOM 1089 N HIS B 16 96.061 -20.507 39.712 1.00 0.00 N ATOM 1090 CA HIS B 16 94.874 -19.613 39.636 1.00 0.00 C ATOM 1091 C HIS B 16 94.990 -18.544 40.733 1.00 0.00 C ATOM 1092 O HIS B 16 94.693 -17.388 40.513 1.00 0.00 O ATOM 1093 CB HIS B 16 93.587 -20.435 39.828 1.00 0.00 C ATOM 1094 CG HIS B 16 93.194 -21.101 38.532 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.882 -21.479 38.260 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.923 -21.450 37.422 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.867 -22.027 37.027 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.083 -22.030 36.477 1.00 0.00 N ATOM 0 H HIS B 16 95.861 -21.494 39.875 1.00 0.00 H new ATOM 0 HA HIS B 16 94.833 -19.131 38.659 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.740 -21.189 40.600 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.781 -19.787 40.171 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.985 -21.298 37.301 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.982 -22.415 36.545 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.342 -22.384 35.556 1.00 0.00 H new ATOM 1106 N SER B 17 95.428 -18.915 41.906 1.00 0.00 N ATOM 1107 CA SER B 17 95.571 -17.902 42.991 1.00 0.00 C ATOM 1108 C SER B 17 96.596 -16.846 42.561 1.00 0.00 C ATOM 1109 O SER B 17 96.350 -15.660 42.656 1.00 0.00 O ATOM 1110 CB SER B 17 96.038 -18.591 44.277 1.00 0.00 C ATOM 1111 OG SER B 17 97.408 -18.955 44.142 1.00 0.00 O ATOM 0 H SER B 17 95.691 -19.868 42.159 1.00 0.00 H new ATOM 0 HA SER B 17 94.611 -17.420 43.175 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.909 -17.923 45.129 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.432 -19.476 44.471 1.00 0.00 H new ATOM 0 HG SER B 17 97.474 -19.813 43.672 1.00 0.00 H new ATOM 1117 N ASN B 18 97.740 -17.270 42.072 1.00 0.00 N ATOM 1118 CA ASN B 18 98.773 -16.286 41.608 1.00 0.00 C ATOM 1119 C ASN B 18 98.577 -16.036 40.117 1.00 0.00 C ATOM 1120 O ASN B 18 99.223 -16.639 39.283 1.00 0.00 O ATOM 1121 CB ASN B 18 100.176 -16.850 41.850 1.00 0.00 C ATOM 1122 CG ASN B 18 100.378 -17.095 43.345 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.673 -18.200 43.754 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.240 -16.101 44.185 1.00 0.00 N ATOM 0 H ASN B 18 98.002 -18.251 41.975 1.00 0.00 H new ATOM 0 HA ASN B 18 98.666 -15.353 42.162 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.305 -17.781 41.298 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.928 -16.153 41.480 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.380 -16.254 45.184 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.992 -15.173 43.841 1.00 0.00 H new ATOM 1131 N TRP B 19 97.684 -15.151 39.772 1.00 0.00 N ATOM 1132 CA TRP B 19 97.436 -14.866 38.337 1.00 0.00 C ATOM 1133 C TRP B 19 98.638 -14.127 37.740 1.00 0.00 C ATOM 1134 O TRP B 19 98.903 -14.218 36.558 1.00 0.00 O ATOM 1135 CB TRP B 19 96.160 -14.032 38.184 1.00 0.00 C ATOM 1136 CG TRP B 19 96.322 -12.675 38.794 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.891 -12.318 40.026 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.931 -11.487 38.214 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.197 -10.982 40.234 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.839 -10.430 39.147 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.551 -11.229 36.980 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.341 -9.156 38.863 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.059 -9.955 36.692 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.954 -8.919 37.630 1.00 0.00 C ATOM 0 H TRP B 19 97.115 -14.613 40.426 1.00 0.00 H new ATOM 0 HA TRP B 19 97.302 -15.805 37.800 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.913 -13.931 37.127 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.326 -14.549 38.658 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.391 -12.966 40.731 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.974 -10.470 41.088 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.637 -12.018 36.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.256 -8.362 39.590 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.535 -9.770 35.740 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.346 -7.939 37.400 1.00 0.00 H new ATOM 1155 N ARG B 20 99.352 -13.379 38.540 1.00 0.00 N ATOM 1156 CA ARG B 20 100.521 -12.621 38.006 1.00 0.00 C ATOM 1157 C ARG B 20 101.561 -13.585 37.433 1.00 0.00 C ATOM 1158 O ARG B 20 102.152 -13.326 36.407 1.00 0.00 O ATOM 1159 CB ARG B 20 101.171 -11.814 39.132 1.00 0.00 C ATOM 1160 CG ARG B 20 100.249 -10.670 39.547 1.00 0.00 C ATOM 1161 CD ARG B 20 100.904 -9.866 40.672 1.00 0.00 C ATOM 1162 NE ARG B 20 99.967 -8.799 41.125 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.162 -8.194 42.263 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.180 -8.520 43.008 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.340 -7.262 42.650 1.00 0.00 N ATOM 0 H ARG B 20 99.176 -13.261 39.538 1.00 0.00 H new ATOM 0 HA ARG B 20 100.170 -11.953 37.220 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.371 -12.460 39.987 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.131 -11.418 38.801 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.048 -10.023 38.693 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.289 -11.065 39.880 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.156 -10.523 41.505 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.836 -9.423 40.323 1.00 0.00 H new ATOM 0 HE ARG B 20 99.170 -8.541 40.542 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.824 -9.249 42.701 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.333 -8.047 43.898 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.546 -7.007 42.063 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.490 -6.787 43.540 1.00 0.00 H new ATOM 1179 N ALA B 21 101.799 -14.692 38.075 1.00 0.00 N ATOM 1180 CA ALA B 21 102.816 -15.644 37.533 1.00 0.00 C ATOM 1181 C ALA B 21 102.375 -16.112 36.142 1.00 0.00 C ATOM 1182 O ALA B 21 103.172 -16.219 35.231 1.00 0.00 O ATOM 1183 CB ALA B 21 102.959 -16.847 38.470 1.00 0.00 C ATOM 0 H ALA B 21 101.343 -14.980 38.940 1.00 0.00 H new ATOM 0 HA ALA B 21 103.781 -15.143 37.459 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.702 -17.535 38.067 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.277 -16.505 39.455 1.00 0.00 H new ATOM 0 HB3 ALA B 21 102.000 -17.358 38.555 1.00 0.00 H new ATOM 1189 N MET B 22 101.113 -16.397 35.974 1.00 0.00 N ATOM 1190 CA MET B 22 100.627 -16.862 34.647 1.00 0.00 C ATOM 1191 C MET B 22 100.836 -15.764 33.603 1.00 0.00 C ATOM 1192 O MET B 22 101.244 -16.020 32.491 1.00 0.00 O ATOM 1193 CB MET B 22 99.140 -17.189 34.745 1.00 0.00 C ATOM 1194 CG MET B 22 98.622 -17.678 33.390 1.00 0.00 C ATOM 1195 SD MET B 22 96.931 -18.288 33.577 1.00 0.00 S ATOM 1196 CE MET B 22 96.179 -16.733 34.125 1.00 0.00 C ATOM 0 H MET B 22 100.399 -16.328 36.699 1.00 0.00 H new ATOM 0 HA MET B 22 101.184 -17.751 34.349 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.977 -17.954 35.504 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.585 -16.305 35.059 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.649 -16.866 32.664 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.266 -18.470 33.007 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.113 -16.745 33.898 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.320 -16.619 35.200 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.651 -15.898 33.607 1.00 0.00 H new ATOM 1206 N ALA B 23 100.550 -14.541 33.948 1.00 0.00 N ATOM 1207 CA ALA B 23 100.727 -13.437 32.968 1.00 0.00 C ATOM 1208 C ALA B 23 102.195 -13.346 32.545 1.00 0.00 C ATOM 1209 O ALA B 23 102.510 -13.204 31.380 1.00 0.00 O ATOM 1210 CB ALA B 23 100.300 -12.114 33.606 1.00 0.00 C ATOM 0 H ALA B 23 100.202 -14.259 34.864 1.00 0.00 H new ATOM 0 HA ALA B 23 100.112 -13.636 32.091 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.430 -11.305 32.887 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.252 -12.173 33.900 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.913 -11.920 34.486 1.00 0.00 H new ATOM 1216 N SER B 24 103.099 -13.422 33.484 1.00 0.00 N ATOM 1217 CA SER B 24 104.547 -13.332 33.137 1.00 0.00 C ATOM 1218 C SER B 24 104.968 -14.561 32.341 1.00 0.00 C ATOM 1219 O SER B 24 105.737 -14.475 31.406 1.00 0.00 O ATOM 1220 CB SER B 24 105.384 -13.243 34.413 1.00 0.00 C ATOM 1221 OG SER B 24 105.068 -12.038 35.102 1.00 0.00 O ATOM 0 H SER B 24 102.898 -13.543 34.477 1.00 0.00 H new ATOM 0 HA SER B 24 104.709 -12.438 32.535 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.185 -14.103 35.052 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.446 -13.267 34.167 1.00 0.00 H new ATOM 0 HG SER B 24 105.602 -11.980 35.921 1.00 0.00 H new ATOM 1227 N ASP B 25 104.487 -15.712 32.719 1.00 0.00 N ATOM 1228 CA ASP B 25 104.873 -16.955 31.999 1.00 0.00 C ATOM 1229 C ASP B 25 104.447 -16.866 30.529 1.00 0.00 C ATOM 1230 O ASP B 25 105.172 -17.264 29.641 1.00 0.00 O ATOM 1231 CB ASP B 25 104.196 -18.149 32.669 1.00 0.00 C ATOM 1232 CG ASP B 25 104.587 -19.436 31.939 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.245 -19.558 30.776 1.00 0.00 O ATOM 1234 OD2 ASP B 25 105.224 -20.274 32.557 1.00 0.00 O ATOM 0 H ASP B 25 103.842 -15.845 33.498 1.00 0.00 H new ATOM 0 HA ASP B 25 105.955 -17.079 32.039 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.493 -18.208 33.716 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.113 -18.023 32.651 1.00 0.00 H new ATOM 1239 N PHE B 26 103.276 -16.347 30.267 1.00 0.00 N ATOM 1240 CA PHE B 26 102.794 -16.224 28.855 1.00 0.00 C ATOM 1241 C PHE B 26 103.037 -14.797 28.349 1.00 0.00 C ATOM 1242 O PHE B 26 102.712 -14.465 27.225 1.00 0.00 O ATOM 1243 CB PHE B 26 101.296 -16.541 28.806 1.00 0.00 C ATOM 1244 CG PHE B 26 101.085 -18.025 29.012 1.00 0.00 C ATOM 1245 CD1 PHE B 26 101.113 -18.570 30.304 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.865 -18.858 27.909 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.919 -19.945 30.490 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.670 -20.234 28.095 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.697 -20.776 29.387 1.00 0.00 C ATOM 0 H PHE B 26 102.627 -16.000 30.974 1.00 0.00 H new ATOM 0 HA PHE B 26 103.337 -16.924 28.220 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.769 -15.978 29.577 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.880 -16.234 27.846 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.284 -17.929 31.156 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.845 -18.440 26.913 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.941 -20.363 31.485 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.499 -20.876 27.243 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.546 -21.836 29.531 1.00 0.00 H new ATOM 1259 N ASN B 27 103.613 -13.955 29.170 1.00 0.00 N ATOM 1260 CA ASN B 27 103.898 -12.548 28.748 1.00 0.00 C ATOM 1261 C ASN B 27 102.616 -11.854 28.276 1.00 0.00 C ATOM 1262 O ASN B 27 102.627 -11.117 27.309 1.00 0.00 O ATOM 1263 CB ASN B 27 104.927 -12.542 27.617 1.00 0.00 C ATOM 1264 CG ASN B 27 106.227 -13.182 28.103 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.744 -12.818 29.139 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.775 -14.129 27.395 1.00 0.00 N ATOM 0 H ASN B 27 103.900 -14.183 30.122 1.00 0.00 H new ATOM 0 HA ASN B 27 104.295 -12.006 29.606 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.540 -13.089 26.757 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.114 -11.520 27.287 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.641 -14.566 27.711 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.338 -14.433 26.525 1.00 0.00 H new ATOM 1273 N LEU B 28 101.519 -12.068 28.953 1.00 0.00 N ATOM 1274 CA LEU B 28 100.229 -11.410 28.558 1.00 0.00 C ATOM 1275 C LEU B 28 99.874 -10.358 29.616 1.00 0.00 C ATOM 1276 O LEU B 28 100.217 -10.514 30.770 1.00 0.00 O ATOM 1277 CB LEU B 28 99.118 -12.465 28.524 1.00 0.00 C ATOM 1278 CG LEU B 28 99.348 -13.453 27.367 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.551 -14.738 27.622 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.894 -12.833 26.035 1.00 0.00 C ATOM 0 H LEU B 28 101.456 -12.675 29.770 1.00 0.00 H new ATOM 0 HA LEU B 28 100.331 -10.946 27.577 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.092 -13.004 29.471 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.150 -11.978 28.407 1.00 0.00 H new ATOM 0 HG LEU B 28 100.412 -13.682 27.310 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.715 -15.437 26.802 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.881 -15.192 28.556 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.489 -14.500 27.689 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.063 -13.544 25.226 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.833 -12.591 26.089 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.464 -11.924 25.844 1.00 0.00 H new ATOM 1292 N PRO B 29 99.185 -9.299 29.249 1.00 0.00 N ATOM 1293 CA PRO B 29 98.791 -8.244 30.229 1.00 0.00 C ATOM 1294 C PRO B 29 97.742 -8.774 31.226 1.00 0.00 C ATOM 1295 O PRO B 29 96.945 -9.625 30.881 1.00 0.00 O ATOM 1296 CB PRO B 29 98.207 -7.123 29.355 1.00 0.00 C ATOM 1297 CG PRO B 29 97.774 -7.799 28.091 1.00 0.00 C ATOM 1298 CD PRO B 29 98.718 -8.985 27.886 1.00 0.00 C ATOM 0 HA PRO B 29 99.630 -7.906 30.838 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.367 -6.635 29.849 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.950 -6.351 29.155 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.740 -8.135 28.166 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.826 -7.112 27.246 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.204 -9.833 27.434 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.548 -8.727 27.228 1.00 0.00 H new ATOM 1306 N PRO B 30 97.727 -8.281 32.445 1.00 0.00 N ATOM 1307 CA PRO B 30 96.735 -8.734 33.463 1.00 0.00 C ATOM 1308 C PRO B 30 95.322 -8.862 32.878 1.00 0.00 C ATOM 1309 O PRO B 30 94.464 -9.515 33.431 1.00 0.00 O ATOM 1310 CB PRO B 30 96.768 -7.617 34.514 1.00 0.00 C ATOM 1311 CG PRO B 30 98.151 -7.047 34.443 1.00 0.00 C ATOM 1312 CD PRO B 30 98.638 -7.252 32.996 1.00 0.00 C ATOM 0 HA PRO B 30 96.979 -9.721 33.857 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.018 -6.855 34.302 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.554 -8.007 35.509 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.148 -5.989 34.704 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.813 -7.548 35.149 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.585 -6.326 32.424 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.676 -7.584 32.969 1.00 0.00 H new ATOM 1320 N VAL B 31 95.072 -8.215 31.778 1.00 0.00 N ATOM 1321 CA VAL B 31 93.709 -8.268 31.184 1.00 0.00 C ATOM 1322 C VAL B 31 93.319 -9.705 30.842 1.00 0.00 C ATOM 1323 O VAL B 31 92.270 -10.169 31.230 1.00 0.00 O ATOM 1324 CB VAL B 31 93.699 -7.407 29.912 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.390 -7.599 29.140 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.855 -5.940 30.307 1.00 0.00 C ATOM 0 H VAL B 31 95.750 -7.652 31.264 1.00 0.00 H new ATOM 0 HA VAL B 31 92.986 -7.887 31.905 1.00 0.00 H new ATOM 0 HB VAL B 31 94.524 -7.711 29.268 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.403 -6.981 28.243 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.285 -8.646 28.857 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.550 -7.307 29.770 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.849 -5.319 29.411 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.029 -5.648 30.956 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.798 -5.804 30.836 1.00 0.00 H new ATOM 1336 N VAL B 32 94.142 -10.417 30.129 1.00 0.00 N ATOM 1337 CA VAL B 32 93.778 -11.819 29.786 1.00 0.00 C ATOM 1338 C VAL B 32 93.811 -12.672 31.055 1.00 0.00 C ATOM 1339 O VAL B 32 92.963 -13.512 31.275 1.00 0.00 O ATOM 1340 CB VAL B 32 94.773 -12.364 28.755 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.559 -13.869 28.566 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.550 -11.645 27.424 1.00 0.00 C ATOM 0 H VAL B 32 95.041 -10.095 29.772 1.00 0.00 H new ATOM 0 HA VAL B 32 92.775 -11.850 29.361 1.00 0.00 H new ATOM 0 HB VAL B 32 95.791 -12.193 29.105 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.270 -14.248 27.832 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.711 -14.380 29.516 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.543 -14.051 28.215 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.253 -12.025 26.683 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.530 -11.822 27.081 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.707 -10.575 27.558 1.00 0.00 H new ATOM 1352 N ALA B 33 94.787 -12.462 31.894 1.00 0.00 N ATOM 1353 CA ALA B 33 94.874 -13.259 33.152 1.00 0.00 C ATOM 1354 C ALA B 33 93.673 -12.954 34.056 1.00 0.00 C ATOM 1355 O ALA B 33 93.066 -13.843 34.618 1.00 0.00 O ATOM 1356 CB ALA B 33 96.167 -12.904 33.890 1.00 0.00 C ATOM 0 H ALA B 33 95.528 -11.774 31.764 1.00 0.00 H new ATOM 0 HA ALA B 33 94.870 -14.320 32.901 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.232 -13.485 34.810 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.023 -13.132 33.255 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.168 -11.841 34.132 1.00 0.00 H new ATOM 1362 N LYS B 34 93.319 -11.702 34.198 1.00 0.00 N ATOM 1363 CA LYS B 34 92.158 -11.361 35.064 1.00 0.00 C ATOM 1364 C LYS B 34 90.887 -11.982 34.488 1.00 0.00 C ATOM 1365 O LYS B 34 90.047 -12.474 35.217 1.00 0.00 O ATOM 1366 CB LYS B 34 92.009 -9.841 35.167 1.00 0.00 C ATOM 1367 CG LYS B 34 93.091 -9.283 36.103 1.00 0.00 C ATOM 1368 CD LYS B 34 92.953 -7.760 36.208 1.00 0.00 C ATOM 1369 CE LYS B 34 93.932 -7.231 37.261 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.422 -7.571 38.619 1.00 0.00 N ATOM 0 H LYS B 34 93.782 -10.909 33.754 1.00 0.00 H new ATOM 0 HA LYS B 34 92.325 -11.762 36.064 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.099 -9.388 34.179 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.019 -9.587 35.546 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.998 -9.735 37.091 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.080 -9.542 35.726 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.156 -7.298 35.242 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.931 -7.494 36.480 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.919 -7.669 37.110 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.044 -6.151 37.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.918 -6.997 39.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.402 -7.375 38.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.590 -8.579 38.810 1.00 0.00 H new ATOM 1384 N GLU B 35 90.728 -11.961 33.191 1.00 0.00 N ATOM 1385 CA GLU B 35 89.494 -12.548 32.591 1.00 0.00 C ATOM 1386 C GLU B 35 89.414 -14.043 32.918 1.00 0.00 C ATOM 1387 O GLU B 35 88.359 -14.558 33.236 1.00 0.00 O ATOM 1388 CB GLU B 35 89.521 -12.370 31.069 1.00 0.00 C ATOM 1389 CG GLU B 35 88.156 -12.744 30.475 1.00 0.00 C ATOM 1390 CD GLU B 35 88.022 -14.269 30.373 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.034 -14.927 30.183 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.908 -14.749 30.479 1.00 0.00 O ATOM 0 H GLU B 35 91.393 -11.566 32.526 1.00 0.00 H new ATOM 0 HA GLU B 35 88.625 -12.037 33.005 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.766 -11.338 30.819 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.300 -12.996 30.635 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.357 -12.342 31.099 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.046 -12.295 29.488 1.00 0.00 H new ATOM 1399 N ILE B 36 90.516 -14.743 32.851 1.00 0.00 N ATOM 1400 CA ILE B 36 90.482 -16.198 33.168 1.00 0.00 C ATOM 1401 C ILE B 36 90.094 -16.359 34.635 1.00 0.00 C ATOM 1402 O ILE B 36 89.307 -17.212 34.996 1.00 0.00 O ATOM 1403 CB ILE B 36 91.867 -16.806 32.922 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.198 -16.692 31.436 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.874 -18.285 33.327 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.652 -17.099 31.200 1.00 0.00 C ATOM 0 H ILE B 36 91.430 -14.372 32.592 1.00 0.00 H new ATOM 0 HA ILE B 36 89.757 -16.709 32.534 1.00 0.00 H new ATOM 0 HB ILE B 36 92.607 -16.271 33.517 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.533 -17.331 30.855 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.036 -15.669 31.095 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.863 -18.707 33.148 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.628 -18.374 34.385 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.136 -18.828 32.736 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.885 -17.017 30.138 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.311 -16.442 31.768 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.799 -18.129 31.525 1.00 0.00 H new ATOM 1418 N VAL B 37 90.626 -15.517 35.474 1.00 0.00 N ATOM 1419 CA VAL B 37 90.285 -15.579 36.917 1.00 0.00 C ATOM 1420 C VAL B 37 88.792 -15.298 37.085 1.00 0.00 C ATOM 1421 O VAL B 37 88.116 -15.901 37.893 1.00 0.00 O ATOM 1422 CB VAL B 37 91.090 -14.512 37.664 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.570 -14.375 39.099 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.562 -14.915 37.707 1.00 0.00 C ATOM 0 H VAL B 37 91.287 -14.784 35.218 1.00 0.00 H new ATOM 0 HA VAL B 37 90.521 -16.565 37.317 1.00 0.00 H new ATOM 0 HB VAL B 37 90.982 -13.560 37.143 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.147 -13.614 39.624 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.520 -14.084 39.079 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.672 -15.329 39.616 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.132 -14.154 38.239 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.663 -15.870 38.222 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.943 -15.009 36.690 1.00 0.00 H new ATOM 1434 N ALA B 38 88.285 -14.368 36.332 1.00 0.00 N ATOM 1435 CA ALA B 38 86.845 -14.009 36.447 1.00 0.00 C ATOM 1436 C ALA B 38 85.976 -15.153 35.916 1.00 0.00 C ATOM 1437 O ALA B 38 84.867 -15.361 36.363 1.00 0.00 O ATOM 1438 CB ALA B 38 86.583 -12.743 35.633 1.00 0.00 C ATOM 0 H ALA B 38 88.808 -13.836 35.636 1.00 0.00 H new ATOM 0 HA ALA B 38 86.595 -13.835 37.494 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.530 -12.472 35.711 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.197 -11.929 36.018 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.835 -12.924 34.588 1.00 0.00 H new ATOM 1444 N SER B 39 86.473 -15.901 34.972 1.00 0.00 N ATOM 1445 CA SER B 39 85.672 -17.028 34.423 1.00 0.00 C ATOM 1446 C SER B 39 85.579 -18.135 35.467 1.00 0.00 C ATOM 1447 O SER B 39 84.557 -18.775 35.616 1.00 0.00 O ATOM 1448 CB SER B 39 86.351 -17.575 33.166 1.00 0.00 C ATOM 1449 OG SER B 39 86.220 -16.631 32.112 1.00 0.00 O ATOM 0 H SER B 39 87.397 -15.781 34.558 1.00 0.00 H new ATOM 0 HA SER B 39 84.672 -16.674 34.171 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.405 -17.772 33.364 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.898 -18.524 32.878 1.00 0.00 H new ATOM 0 HG SER B 39 87.017 -16.061 32.083 1.00 0.00 H new ATOM 1455 N CYS B 40 86.632 -18.364 36.196 1.00 0.00 N ATOM 1456 CA CYS B 40 86.590 -19.432 37.231 1.00 0.00 C ATOM 1457 C CYS B 40 85.754 -18.944 38.420 1.00 0.00 C ATOM 1458 O CYS B 40 86.143 -18.054 39.153 1.00 0.00 O ATOM 1459 CB CYS B 40 88.013 -19.755 37.691 1.00 0.00 C ATOM 1460 SG CYS B 40 88.017 -21.347 38.555 1.00 0.00 S ATOM 0 H CYS B 40 87.516 -17.861 36.122 1.00 0.00 H new ATOM 0 HA CYS B 40 86.139 -20.333 36.815 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.685 -19.792 36.834 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.381 -18.969 38.351 1.00 0.00 H new ATOM 0 HG CYS B 40 89.169 -21.927 38.390 1.00 0.00 H new ATOM 1465 N ASP B 41 84.601 -19.522 38.599 1.00 0.00 N ATOM 1466 CA ASP B 41 83.712 -19.116 39.722 1.00 0.00 C ATOM 1467 C ASP B 41 84.418 -19.331 41.060 1.00 0.00 C ATOM 1468 O ASP B 41 84.295 -18.536 41.973 1.00 0.00 O ATOM 1469 CB ASP B 41 82.433 -19.953 39.676 1.00 0.00 C ATOM 1470 CG ASP B 41 81.537 -19.458 38.536 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.806 -19.810 37.401 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.598 -18.733 38.821 1.00 0.00 O ATOM 0 H ASP B 41 84.232 -20.267 38.008 1.00 0.00 H new ATOM 0 HA ASP B 41 83.467 -18.059 39.622 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.679 -21.004 39.528 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.904 -19.880 40.626 1.00 0.00 H new ATOM 1477 N LYS B 42 85.147 -20.402 41.194 1.00 0.00 N ATOM 1478 CA LYS B 42 85.842 -20.668 42.485 1.00 0.00 C ATOM 1479 C LYS B 42 86.803 -19.521 42.794 1.00 0.00 C ATOM 1480 O LYS B 42 86.945 -19.112 43.926 1.00 0.00 O ATOM 1481 CB LYS B 42 86.626 -21.982 42.392 1.00 0.00 C ATOM 1482 CG LYS B 42 85.645 -23.160 42.341 1.00 0.00 C ATOM 1483 CD LYS B 42 86.400 -24.493 42.419 1.00 0.00 C ATOM 1484 CE LYS B 42 87.033 -24.826 41.065 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.652 -26.182 41.126 1.00 0.00 N ATOM 0 H LYS B 42 85.292 -21.104 40.468 1.00 0.00 H new ATOM 0 HA LYS B 42 85.102 -20.747 43.281 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.255 -21.980 41.502 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.289 -22.084 43.251 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.937 -23.087 43.167 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.065 -23.118 41.419 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.173 -24.436 43.185 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.716 -25.289 42.714 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.277 -24.795 40.280 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.787 -24.081 40.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.082 -26.409 40.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 88.385 -26.196 41.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.921 -26.887 41.350 1.00 0.00 H new ATOM 1499 N CYS B 43 87.470 -19.001 41.801 1.00 0.00 N ATOM 1500 CA CYS B 43 88.422 -17.883 42.055 1.00 0.00 C ATOM 1501 C CYS B 43 87.669 -16.559 42.234 1.00 0.00 C ATOM 1502 O CYS B 43 87.951 -15.789 43.130 1.00 0.00 O ATOM 1503 CB CYS B 43 89.370 -17.733 40.867 1.00 0.00 C ATOM 1504 SG CYS B 43 90.188 -19.304 40.520 1.00 0.00 S ATOM 0 H CYS B 43 87.398 -19.300 40.829 1.00 0.00 H new ATOM 0 HA CYS B 43 88.978 -18.114 42.964 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.815 -17.402 39.989 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.115 -16.966 41.081 1.00 0.00 H new ATOM 0 HG CYS B 43 89.379 -20.078 39.860 1.00 0.00 H new ATOM 1509 N GLN B 44 86.741 -16.272 41.359 1.00 0.00 N ATOM 1510 CA GLN B 44 85.994 -14.972 41.434 1.00 0.00 C ATOM 1511 C GLN B 44 85.156 -14.904 42.710 1.00 0.00 C ATOM 1512 O GLN B 44 85.336 -14.026 43.531 1.00 0.00 O ATOM 1513 CB GLN B 44 85.060 -14.877 40.221 1.00 0.00 C ATOM 1514 CG GLN B 44 84.288 -13.551 40.241 1.00 0.00 C ATOM 1515 CD GLN B 44 83.351 -13.486 39.034 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.147 -13.419 39.193 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.850 -13.511 37.831 1.00 0.00 N ATOM 0 H GLN B 44 86.464 -16.882 40.590 1.00 0.00 H new ATOM 0 HA GLN B 44 86.709 -14.149 41.440 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.640 -14.953 39.301 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.360 -15.713 40.227 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.715 -13.466 41.164 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.984 -12.713 40.220 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.860 -13.567 37.699 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.231 -13.474 37.021 1.00 0.00 H new