USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -2.03! C(o=-5!,f=-7.4!) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -3.01! C(o=-6.1!,f=-5!) USER MOD Set 2.1: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 134:sc= 1.05 (180deg=0.317) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.163 (180deg=-0.93) USER MOD Single : A 9 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.6!) USER MOD Single : A 12 CYS SG : rot -20:sc= 0.0722 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.127) USER MOD Single : A 15 TYR OH : rot -19:sc= 1.22 USER MOD Single : A 16 HIS : no HD1:sc= -3.03! X(o=-3!,f=-3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00348 K(o=-0.0035,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.307 (180deg=-1.45!) USER MOD Single : A 24 SER OG : rot 77:sc= 0.463 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0193 F(o=-1.1,f=-0.019) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.021) USER MOD Single : A 39 SER OG : rot 127:sc= -0.111 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 134:sc= 1.04 (180deg=0.308) USER MOD Single : B 7 LYS NZ :NH3+ 145:sc= -0.149 (180deg=-0.894) USER MOD Single : B 9 GLN : amide:sc= -2.37 X(o=-2.4,f=-2.6!) USER MOD Single : B 12 CYS SG : rot -17:sc= 0.101 USER MOD Single : B 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.126) USER MOD Single : B 15 TYR OH : rot -11:sc= 1.24 USER MOD Single : B 16 HIS : no HD1:sc= -3.11! X(o=-3.1!,f=-3.1) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 159:sc= -0.264 (180deg=-1.41!) USER MOD Single : B 24 SER OG : rot 79:sc= 0.471 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0225 F(o=-1.2,f=-0.022) USER MOD Single : B 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.02) USER MOD Single : B 39 SER OG : rot 130:sc= -0.122 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.416 -4.448 24.044 1.00 0.00 N ATOM 2 CA PHE A 1 95.136 -3.700 25.114 1.00 0.00 C ATOM 3 C PHE A 1 95.128 -2.212 24.772 1.00 0.00 C ATOM 4 O PHE A 1 96.154 -1.606 24.539 1.00 0.00 O ATOM 5 CB PHE A 1 96.575 -4.195 25.196 1.00 0.00 C ATOM 6 CG PHE A 1 96.595 -5.704 25.090 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.138 -6.486 26.156 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.071 -6.318 23.925 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.159 -7.884 26.057 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.092 -7.715 23.828 1.00 0.00 C ATOM 11 CZ PHE A 1 96.636 -8.497 24.893 1.00 0.00 C ATOM 0 H1 PHE A 1 94.971 -5.284 23.772 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.486 -4.750 24.397 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.289 -3.832 23.216 1.00 0.00 H new ATOM 0 HA PHE A 1 94.643 -3.860 26.073 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.168 -3.755 24.394 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.026 -3.880 26.137 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.769 -6.013 27.054 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.422 -5.714 23.101 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.807 -8.489 26.880 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.461 -8.188 22.930 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.652 -9.574 24.818 1.00 0.00 H new ATOM 23 N LEU A 2 93.967 -1.632 24.722 1.00 0.00 N ATOM 24 CA LEU A 2 93.853 -0.183 24.373 1.00 0.00 C ATOM 25 C LEU A 2 93.714 0.663 25.633 1.00 0.00 C ATOM 26 O LEU A 2 93.049 0.290 26.574 1.00 0.00 O ATOM 27 CB LEU A 2 92.622 0.028 23.488 1.00 0.00 C ATOM 28 CG LEU A 2 92.719 -0.850 22.234 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.418 -0.727 21.436 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.906 -0.400 21.364 1.00 0.00 C ATOM 0 H LEU A 2 93.080 -2.099 24.909 1.00 0.00 H new ATOM 0 HA LEU A 2 94.755 0.121 23.842 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.718 -0.218 24.045 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.545 1.077 23.202 1.00 0.00 H new ATOM 0 HG LEU A 2 92.874 -1.888 22.529 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.479 -1.348 20.543 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.581 -1.057 22.051 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.266 0.313 21.145 1.00 0.00 H new ATOM 0 HD21 LEU A 2 93.966 -1.030 20.476 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.764 0.638 21.063 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.830 -0.489 21.935 1.00 0.00 H new ATOM 42 N ASP A 3 94.326 1.815 25.651 1.00 0.00 N ATOM 43 CA ASP A 3 94.207 2.695 26.843 1.00 0.00 C ATOM 44 C ASP A 3 92.730 3.026 27.034 1.00 0.00 C ATOM 45 O ASP A 3 92.222 3.053 28.137 1.00 0.00 O ATOM 46 CB ASP A 3 94.993 3.988 26.617 1.00 0.00 C ATOM 47 CG ASP A 3 96.493 3.689 26.628 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.863 2.635 27.119 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.245 4.515 26.139 1.00 0.00 O ATOM 0 H ASP A 3 94.901 2.183 24.893 1.00 0.00 H new ATOM 0 HA ASP A 3 94.607 2.193 27.724 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.709 4.436 25.665 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.751 4.712 27.395 1.00 0.00 H new ATOM 54 N GLY A 4 92.032 3.265 25.953 1.00 0.00 N ATOM 55 CA GLY A 4 90.579 3.580 26.048 1.00 0.00 C ATOM 56 C GLY A 4 89.908 2.573 26.984 1.00 0.00 C ATOM 57 O GLY A 4 88.818 2.791 27.469 1.00 0.00 O ATOM 0 H GLY A 4 92.410 3.255 25.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.438 4.594 26.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.120 3.539 25.060 1.00 0.00 H new ATOM 61 N ILE A 5 90.564 1.477 27.253 1.00 0.00 N ATOM 62 CA ILE A 5 89.973 0.468 28.173 1.00 0.00 C ATOM 63 C ILE A 5 89.754 1.121 29.540 1.00 0.00 C ATOM 64 O ILE A 5 88.736 0.922 30.175 1.00 0.00 O ATOM 65 CB ILE A 5 90.914 -0.737 28.287 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.904 -1.510 26.966 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.451 -1.655 29.424 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.045 -2.532 26.962 1.00 0.00 C ATOM 0 H ILE A 5 91.481 1.238 26.876 1.00 0.00 H new ATOM 0 HA ILE A 5 89.016 0.116 27.788 1.00 0.00 H new ATOM 0 HB ILE A 5 91.924 -0.389 28.501 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.948 -2.017 26.836 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.016 -0.821 26.129 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.124 -2.509 29.499 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.459 -1.103 30.364 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.440 -2.007 29.219 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.037 -3.082 26.021 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.998 -2.014 27.072 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.913 -3.228 27.790 1.00 0.00 H new ATOM 80 N ASP A 6 90.680 1.925 29.983 1.00 0.00 N ATOM 81 CA ASP A 6 90.497 2.616 31.290 1.00 0.00 C ATOM 82 C ASP A 6 89.250 3.495 31.190 1.00 0.00 C ATOM 83 O ASP A 6 88.458 3.582 32.105 1.00 0.00 O ATOM 84 CB ASP A 6 91.723 3.482 31.606 1.00 0.00 C ATOM 85 CG ASP A 6 92.916 2.579 31.925 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.689 1.432 32.272 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.035 3.052 31.824 1.00 0.00 O ATOM 0 H ASP A 6 91.553 2.133 29.498 1.00 0.00 H new ATOM 0 HA ASP A 6 90.382 1.883 32.089 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.956 4.125 30.757 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.512 4.136 32.452 1.00 0.00 H new ATOM 92 N LYS A 7 89.069 4.134 30.069 1.00 0.00 N ATOM 93 CA LYS A 7 87.871 5.000 29.876 1.00 0.00 C ATOM 94 C LYS A 7 86.617 4.123 29.926 1.00 0.00 C ATOM 95 O LYS A 7 85.603 4.497 30.479 1.00 0.00 O ATOM 96 CB LYS A 7 87.957 5.692 28.511 1.00 0.00 C ATOM 97 CG LYS A 7 86.761 6.630 28.331 1.00 0.00 C ATOM 98 CD LYS A 7 86.853 7.319 26.969 1.00 0.00 C ATOM 99 CE LYS A 7 85.692 8.302 26.814 1.00 0.00 C ATOM 100 NZ LYS A 7 85.722 9.281 27.937 1.00 0.00 N ATOM 0 H LYS A 7 89.704 4.094 29.272 1.00 0.00 H new ATOM 0 HA LYS A 7 87.827 5.756 30.660 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.887 6.255 28.436 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.970 4.947 27.715 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.830 6.068 28.404 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.746 7.375 29.127 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.803 7.845 26.880 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.824 6.577 26.171 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.767 8.823 25.860 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.744 7.765 26.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.235 10.154 27.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.243 8.874 28.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.709 9.500 28.181 1.00 0.00 H new ATOM 114 N ALA A 8 86.686 2.958 29.343 1.00 0.00 N ATOM 115 CA ALA A 8 85.509 2.046 29.340 1.00 0.00 C ATOM 116 C ALA A 8 85.110 1.711 30.781 1.00 0.00 C ATOM 117 O ALA A 8 83.950 1.507 31.077 1.00 0.00 O ATOM 118 CB ALA A 8 85.872 0.757 28.598 1.00 0.00 C ATOM 0 H ALA A 8 87.512 2.597 28.866 1.00 0.00 H new ATOM 0 HA ALA A 8 84.672 2.535 28.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.013 0.086 28.593 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.153 0.995 27.572 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.709 0.272 29.100 1.00 0.00 H new ATOM 124 N GLN A 9 86.054 1.654 31.682 1.00 0.00 N ATOM 125 CA GLN A 9 85.706 1.332 33.097 1.00 0.00 C ATOM 126 C GLN A 9 84.736 2.394 33.623 1.00 0.00 C ATOM 127 O GLN A 9 83.700 2.085 34.180 1.00 0.00 O ATOM 128 CB GLN A 9 86.976 1.355 33.953 1.00 0.00 C ATOM 129 CG GLN A 9 87.891 0.184 33.575 1.00 0.00 C ATOM 130 CD GLN A 9 87.386 -1.107 34.225 1.00 0.00 C ATOM 131 OE1 GLN A 9 86.711 -1.069 35.234 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.692 -2.257 33.687 1.00 0.00 N ATOM 0 H GLN A 9 87.045 1.815 31.502 1.00 0.00 H new ATOM 0 HA GLN A 9 85.248 0.344 33.146 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.503 2.298 33.810 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.713 1.294 35.009 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.919 0.069 32.491 1.00 0.00 H new ATOM 0 HG3 GLN A 9 88.911 0.389 33.900 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.259 -2.289 32.840 1.00 0.00 H new ATOM 0 HE22 GLN A 9 87.364 -3.123 34.114 1.00 0.00 H new ATOM 141 N GLU A 10 85.067 3.644 33.445 1.00 0.00 N ATOM 142 CA GLU A 10 84.174 4.739 33.922 1.00 0.00 C ATOM 143 C GLU A 10 82.817 4.638 33.222 1.00 0.00 C ATOM 144 O GLU A 10 81.783 4.891 33.808 1.00 0.00 O ATOM 145 CB GLU A 10 84.813 6.097 33.614 1.00 0.00 C ATOM 146 CG GLU A 10 83.922 7.223 34.152 1.00 0.00 C ATOM 147 CD GLU A 10 84.567 8.576 33.850 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.710 8.584 33.423 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.910 9.583 34.058 1.00 0.00 O ATOM 0 H GLU A 10 85.923 3.956 32.987 1.00 0.00 H new ATOM 0 HA GLU A 10 84.032 4.644 34.999 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.802 6.155 34.068 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.948 6.210 32.538 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.934 7.169 33.694 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.782 7.107 35.227 1.00 0.00 H new ATOM 156 N GLU A 11 82.816 4.297 31.962 1.00 0.00 N ATOM 157 CA GLU A 11 81.533 4.208 31.204 1.00 0.00 C ATOM 158 C GLU A 11 80.946 2.796 31.335 1.00 0.00 C ATOM 159 O GLU A 11 79.869 2.512 30.851 1.00 0.00 O ATOM 160 CB GLU A 11 81.823 4.529 29.731 1.00 0.00 C ATOM 161 CG GLU A 11 80.518 4.602 28.934 1.00 0.00 C ATOM 162 CD GLU A 11 80.799 5.162 27.539 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.929 5.554 27.295 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.882 5.183 26.735 1.00 0.00 O ATOM 0 H GLU A 11 83.652 4.075 31.422 1.00 0.00 H new ATOM 0 HA GLU A 11 80.808 4.917 31.603 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.355 5.477 29.657 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.473 3.764 29.307 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.072 3.610 28.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.798 5.235 29.453 1.00 0.00 H new ATOM 171 N CYS A 12 81.631 1.914 32.007 1.00 0.00 N ATOM 172 CA CYS A 12 81.096 0.532 32.184 1.00 0.00 C ATOM 173 C CYS A 12 79.659 0.600 32.706 1.00 0.00 C ATOM 174 O CYS A 12 78.821 -0.208 32.360 1.00 0.00 O ATOM 175 CB CYS A 12 81.961 -0.228 33.192 1.00 0.00 C ATOM 176 SG CYS A 12 81.290 -1.894 33.428 1.00 0.00 S ATOM 0 H CYS A 12 82.537 2.088 32.442 1.00 0.00 H new ATOM 0 HA CYS A 12 81.113 0.016 31.224 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.989 -0.286 32.835 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.983 0.305 34.143 1.00 0.00 H new ATOM 0 HG CYS A 12 80.049 -1.921 33.042 1.00 0.00 H new ATOM 181 N GLU A 13 79.372 1.552 33.552 1.00 0.00 N ATOM 182 CA GLU A 13 77.998 1.668 34.119 1.00 0.00 C ATOM 183 C GLU A 13 76.978 1.879 32.993 1.00 0.00 C ATOM 184 O GLU A 13 75.895 1.336 33.022 1.00 0.00 O ATOM 185 CB GLU A 13 77.958 2.860 35.084 1.00 0.00 C ATOM 186 CG GLU A 13 76.562 2.989 35.702 1.00 0.00 C ATOM 187 CD GLU A 13 76.541 4.180 36.661 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.603 4.712 36.937 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.463 4.534 37.108 1.00 0.00 O ATOM 0 H GLU A 13 80.033 2.258 33.876 1.00 0.00 H new ATOM 0 HA GLU A 13 77.745 0.751 34.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.701 2.727 35.870 1.00 0.00 H new ATOM 0 HB3 GLU A 13 78.216 3.777 34.553 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.816 3.125 34.919 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.302 2.074 36.234 1.00 0.00 H new ATOM 196 N LYS A 14 77.311 2.667 32.009 1.00 0.00 N ATOM 197 CA LYS A 14 76.350 2.920 30.891 1.00 0.00 C ATOM 198 C LYS A 14 76.004 1.610 30.173 1.00 0.00 C ATOM 199 O LYS A 14 74.872 1.389 29.790 1.00 0.00 O ATOM 200 CB LYS A 14 76.990 3.895 29.897 1.00 0.00 C ATOM 201 CG LYS A 14 76.040 4.192 28.722 1.00 0.00 C ATOM 202 CD LYS A 14 74.745 4.845 29.225 1.00 0.00 C ATOM 203 CE LYS A 14 74.053 5.572 28.067 1.00 0.00 C ATOM 204 NZ LYS A 14 73.700 4.590 27.003 1.00 0.00 N ATOM 0 H LYS A 14 78.207 3.148 31.928 1.00 0.00 H new ATOM 0 HA LYS A 14 75.432 3.346 31.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.244 4.824 30.407 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.921 3.474 29.518 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.532 4.852 28.007 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.806 3.268 28.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.081 4.087 29.640 1.00 0.00 H new ATOM 0 HD3 LYS A 14 74.968 5.548 30.028 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.155 6.075 28.425 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.710 6.342 27.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.031 5.026 26.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.561 4.306 26.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.261 3.752 27.436 1.00 0.00 H new ATOM 218 N TYR A 15 76.961 0.745 29.969 1.00 0.00 N ATOM 219 CA TYR A 15 76.663 -0.534 29.255 1.00 0.00 C ATOM 220 C TYR A 15 76.155 -1.579 30.253 1.00 0.00 C ATOM 221 O TYR A 15 75.460 -2.506 29.889 1.00 0.00 O ATOM 222 CB TYR A 15 77.937 -1.050 28.585 1.00 0.00 C ATOM 223 CG TYR A 15 78.378 -0.076 27.514 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.717 -0.048 26.281 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.445 0.800 27.755 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.122 0.853 25.288 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.850 1.700 26.762 1.00 0.00 C ATOM 228 CZ TYR A 15 79.189 1.726 25.529 1.00 0.00 C ATOM 229 OH TYR A 15 79.588 2.616 24.551 1.00 0.00 O ATOM 0 H TYR A 15 77.930 0.866 30.263 1.00 0.00 H new ATOM 0 HA TYR A 15 75.897 -0.355 28.500 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.726 -1.172 29.327 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.757 -2.032 28.146 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.894 -0.722 26.095 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.955 0.781 28.707 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.611 0.874 24.337 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.673 2.374 26.948 1.00 0.00 H new ATOM 0 HH TYR A 15 79.252 2.317 23.680 1.00 0.00 H new ATOM 239 N HIS A 16 76.498 -1.434 31.505 1.00 0.00 N ATOM 240 CA HIS A 16 76.033 -2.410 32.535 1.00 0.00 C ATOM 241 C HIS A 16 76.462 -3.829 32.144 1.00 0.00 C ATOM 242 O HIS A 16 77.635 -4.126 32.033 1.00 0.00 O ATOM 243 CB HIS A 16 74.504 -2.348 32.677 1.00 0.00 C ATOM 244 CG HIS A 16 74.099 -1.020 33.259 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.603 0.012 32.473 1.00 0.00 N ATOM 246 CD2 HIS A 16 74.097 -0.542 34.548 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.325 1.048 33.288 1.00 0.00 C ATOM 248 NE2 HIS A 16 73.609 0.760 34.559 1.00 0.00 N ATOM 0 H HIS A 16 77.083 -0.678 31.861 1.00 0.00 H new ATOM 0 HA HIS A 16 76.486 -2.150 33.492 1.00 0.00 H new ATOM 0 HB2 HIS A 16 74.033 -2.488 31.704 1.00 0.00 H new ATOM 0 HB3 HIS A 16 74.156 -3.158 33.318 1.00 0.00 H new ATOM 0 HD2 HIS A 16 74.424 -1.093 35.418 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.923 1.993 32.954 1.00 0.00 H new ATOM 0 HE2 HIS A 16 73.493 1.368 35.370 1.00 0.00 H new ATOM 257 N SER A 17 75.516 -4.710 31.950 1.00 0.00 N ATOM 258 CA SER A 17 75.851 -6.117 31.581 1.00 0.00 C ATOM 259 C SER A 17 75.989 -6.255 30.060 1.00 0.00 C ATOM 260 O SER A 17 76.400 -7.283 29.563 1.00 0.00 O ATOM 261 CB SER A 17 74.741 -7.047 32.074 1.00 0.00 C ATOM 262 OG SER A 17 74.765 -7.097 33.495 1.00 0.00 O ATOM 0 H SER A 17 74.518 -4.514 32.032 1.00 0.00 H new ATOM 0 HA SER A 17 76.799 -6.387 32.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.771 -6.690 31.728 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.878 -8.046 31.661 1.00 0.00 H new ATOM 0 HG SER A 17 74.054 -7.691 33.813 1.00 0.00 H new ATOM 268 N ASN A 18 75.642 -5.240 29.314 1.00 0.00 N ATOM 269 CA ASN A 18 75.753 -5.349 27.831 1.00 0.00 C ATOM 270 C ASN A 18 77.205 -5.148 27.401 1.00 0.00 C ATOM 271 O ASN A 18 77.543 -4.168 26.767 1.00 0.00 O ATOM 272 CB ASN A 18 74.889 -4.273 27.166 1.00 0.00 C ATOM 273 CG ASN A 18 73.408 -4.605 27.350 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.052 -5.736 27.614 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.524 -3.656 27.213 1.00 0.00 N ATOM 0 H ASN A 18 75.290 -4.349 29.663 1.00 0.00 H new ATOM 0 HA ASN A 18 75.413 -6.339 27.527 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.109 -3.298 27.601 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.127 -4.209 26.104 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.532 -3.863 27.328 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.825 -2.707 26.991 1.00 0.00 H new ATOM 282 N TRP A 19 78.067 -6.069 27.731 1.00 0.00 N ATOM 283 CA TRP A 19 79.491 -5.922 27.326 1.00 0.00 C ATOM 284 C TRP A 19 79.608 -6.102 25.812 1.00 0.00 C ATOM 285 O TRP A 19 80.521 -5.599 25.186 1.00 0.00 O ATOM 286 CB TRP A 19 80.347 -6.974 28.037 1.00 0.00 C ATOM 287 CG TRP A 19 79.881 -8.350 27.679 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.998 -9.078 28.399 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.254 -9.173 26.535 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.811 -10.298 27.775 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.559 -10.403 26.621 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.119 -8.976 25.441 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.715 -11.401 25.660 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.277 -9.980 24.471 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.577 -11.189 24.581 1.00 0.00 C ATOM 0 H TRP A 19 77.848 -6.913 28.261 1.00 0.00 H new ATOM 0 HA TRP A 19 79.844 -4.929 27.605 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.393 -6.852 27.756 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.288 -6.832 29.116 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.517 -8.759 29.312 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.195 -11.031 28.126 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.664 -8.048 25.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.173 -12.331 25.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.942 -9.819 23.635 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.704 -11.957 23.832 1.00 0.00 H new ATOM 306 N ARG A 20 78.689 -6.814 25.219 1.00 0.00 N ATOM 307 CA ARG A 20 78.745 -7.027 23.744 1.00 0.00 C ATOM 308 C ARG A 20 78.674 -5.678 23.029 1.00 0.00 C ATOM 309 O ARG A 20 79.372 -5.437 22.063 1.00 0.00 O ATOM 310 CB ARG A 20 77.554 -7.884 23.311 1.00 0.00 C ATOM 311 CG ARG A 20 77.733 -9.315 23.820 1.00 0.00 C ATOM 312 CD ARG A 20 76.537 -10.159 23.380 1.00 0.00 C ATOM 313 NE ARG A 20 76.701 -11.554 23.877 1.00 0.00 N ATOM 314 CZ ARG A 20 75.679 -12.368 23.883 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.512 -11.953 23.471 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.823 -13.594 24.306 1.00 0.00 N ATOM 0 H ARG A 20 77.902 -7.258 25.692 1.00 0.00 H new ATOM 0 HA ARG A 20 79.677 -7.530 23.487 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.629 -7.462 23.703 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.469 -7.883 22.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.657 -9.740 23.428 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.816 -9.319 24.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.613 -9.730 23.768 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.457 -10.156 22.293 1.00 0.00 H new ATOM 0 HE ARG A 20 77.610 -11.873 24.212 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.398 -10.993 23.144 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.714 -12.588 23.476 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.734 -13.917 24.632 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.025 -14.229 24.310 1.00 0.00 H new ATOM 330 N ALA A 21 77.834 -4.797 23.497 1.00 0.00 N ATOM 331 CA ALA A 21 77.712 -3.462 22.845 1.00 0.00 C ATOM 332 C ALA A 21 79.006 -2.677 23.060 1.00 0.00 C ATOM 333 O ALA A 21 79.535 -2.069 22.150 1.00 0.00 O ATOM 334 CB ALA A 21 76.541 -2.698 23.467 1.00 0.00 C ATOM 0 H ALA A 21 77.226 -4.943 24.303 1.00 0.00 H new ATOM 0 HA ALA A 21 77.535 -3.589 21.777 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.450 -1.721 22.992 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.619 -3.261 23.319 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.718 -2.567 24.534 1.00 0.00 H new ATOM 340 N MET A 22 79.522 -2.691 24.257 1.00 0.00 N ATOM 341 CA MET A 22 80.786 -1.954 24.540 1.00 0.00 C ATOM 342 C MET A 22 81.922 -2.534 23.695 1.00 0.00 C ATOM 343 O MET A 22 82.723 -1.810 23.139 1.00 0.00 O ATOM 344 CB MET A 22 81.124 -2.096 26.022 1.00 0.00 C ATOM 345 CG MET A 22 82.420 -1.344 26.329 1.00 0.00 C ATOM 346 SD MET A 22 82.702 -1.341 28.116 1.00 0.00 S ATOM 347 CE MET A 22 82.801 -3.134 28.341 1.00 0.00 C ATOM 0 H MET A 22 79.121 -3.183 25.055 1.00 0.00 H new ATOM 0 HA MET A 22 80.660 -0.900 24.291 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.310 -1.701 26.630 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.233 -3.149 26.281 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.258 -1.818 25.818 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.357 -0.321 25.958 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.389 -3.357 29.231 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.797 -3.542 28.458 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.276 -3.584 27.470 1.00 0.00 H new ATOM 357 N ALA A 23 81.997 -3.833 23.584 1.00 0.00 N ATOM 358 CA ALA A 23 83.082 -4.439 22.766 1.00 0.00 C ATOM 359 C ALA A 23 82.970 -3.912 21.334 1.00 0.00 C ATOM 360 O ALA A 23 83.954 -3.616 20.686 1.00 0.00 O ATOM 361 CB ALA A 23 82.933 -5.960 22.765 1.00 0.00 C ATOM 0 H ALA A 23 81.357 -4.496 24.022 1.00 0.00 H new ATOM 0 HA ALA A 23 84.054 -4.176 23.184 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.728 -6.403 22.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.999 -6.333 23.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.966 -6.231 22.342 1.00 0.00 H new ATOM 367 N SER A 24 81.768 -3.794 20.842 1.00 0.00 N ATOM 368 CA SER A 24 81.563 -3.286 19.457 1.00 0.00 C ATOM 369 C SER A 24 81.975 -1.812 19.370 1.00 0.00 C ATOM 370 O SER A 24 82.517 -1.369 18.377 1.00 0.00 O ATOM 371 CB SER A 24 80.090 -3.424 19.082 1.00 0.00 C ATOM 372 OG SER A 24 79.715 -4.794 19.149 1.00 0.00 O ATOM 0 H SER A 24 80.912 -4.030 21.344 1.00 0.00 H new ATOM 0 HA SER A 24 82.176 -3.868 18.769 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.473 -2.833 19.759 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.921 -3.037 18.077 1.00 0.00 H new ATOM 0 HG SER A 24 79.592 -5.054 20.086 1.00 0.00 H new ATOM 378 N ASP A 25 81.711 -1.042 20.394 1.00 0.00 N ATOM 379 CA ASP A 25 82.077 0.406 20.348 1.00 0.00 C ATOM 380 C ASP A 25 83.596 0.567 20.399 1.00 0.00 C ATOM 381 O ASP A 25 84.162 1.390 19.705 1.00 0.00 O ATOM 382 CB ASP A 25 81.454 1.129 21.544 1.00 0.00 C ATOM 383 CG ASP A 25 79.938 1.214 21.360 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.490 1.088 20.232 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.251 1.411 22.348 1.00 0.00 O ATOM 0 H ASP A 25 81.260 -1.351 21.256 1.00 0.00 H new ATOM 0 HA ASP A 25 81.702 0.836 19.419 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.689 0.597 22.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.876 2.130 21.637 1.00 0.00 H new ATOM 390 N PHE A 26 84.265 -0.215 21.199 1.00 0.00 N ATOM 391 CA PHE A 26 85.757 -0.114 21.281 1.00 0.00 C ATOM 392 C PHE A 26 86.381 -1.153 20.341 1.00 0.00 C ATOM 393 O PHE A 26 87.585 -1.265 20.232 1.00 0.00 O ATOM 394 CB PHE A 26 86.220 -0.362 22.721 1.00 0.00 C ATOM 395 CG PHE A 26 85.813 0.804 23.599 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.572 0.798 24.250 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.682 1.894 23.767 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.202 1.876 25.064 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.309 2.971 24.580 1.00 0.00 C ATOM 400 CZ PHE A 26 85.069 2.962 25.228 1.00 0.00 C ATOM 0 H PHE A 26 83.846 -0.923 21.803 1.00 0.00 H new ATOM 0 HA PHE A 26 86.074 0.885 20.981 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.781 -1.285 23.100 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.302 -0.489 22.748 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.901 -0.038 24.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.640 1.902 23.268 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.246 1.869 25.566 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.979 3.809 24.707 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.781 3.793 25.855 1.00 0.00 H new ATOM 410 N ASN A 27 85.562 -1.905 19.652 1.00 0.00 N ATOM 411 CA ASN A 27 86.091 -2.931 18.705 1.00 0.00 C ATOM 412 C ASN A 27 87.110 -3.828 19.409 1.00 0.00 C ATOM 413 O ASN A 27 88.198 -4.047 18.915 1.00 0.00 O ATOM 414 CB ASN A 27 86.762 -2.236 17.519 1.00 0.00 C ATOM 415 CG ASN A 27 85.714 -1.456 16.726 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.523 -1.967 16.559 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.977 -0.366 16.257 1.00 0.00 N flip ATOM 0 H ASN A 27 84.545 -1.852 19.705 1.00 0.00 H new ATOM 0 HA ASN A 27 85.262 -3.544 18.352 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.542 -1.562 17.873 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.245 -2.973 16.877 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.906 0.034 16.387 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.268 0.149 15.734 1.00 0.00 H new ATOM 424 N LEU A 28 86.762 -4.351 20.558 1.00 0.00 N ATOM 425 CA LEU A 28 87.700 -5.245 21.315 1.00 0.00 C ATOM 426 C LEU A 28 87.095 -6.654 21.391 1.00 0.00 C ATOM 427 O LEU A 28 85.893 -6.813 21.322 1.00 0.00 O ATOM 428 CB LEU A 28 87.867 -4.692 22.735 1.00 0.00 C ATOM 429 CG LEU A 28 88.851 -3.508 22.731 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.650 -2.679 24.004 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.306 -4.017 22.674 1.00 0.00 C ATOM 0 H LEU A 28 85.861 -4.197 21.010 1.00 0.00 H new ATOM 0 HA LEU A 28 88.667 -5.286 20.814 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.901 -4.370 23.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.233 -5.476 23.398 1.00 0.00 H new ATOM 0 HG LEU A 28 88.660 -2.892 21.852 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.345 -1.839 24.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.627 -2.303 24.036 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.834 -3.304 24.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.989 -3.167 22.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.507 -4.642 23.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.452 -4.602 21.766 1.00 0.00 H new ATOM 443 N PRO A 29 87.910 -7.676 21.542 1.00 0.00 N ATOM 444 CA PRO A 29 87.405 -9.075 21.638 1.00 0.00 C ATOM 445 C PRO A 29 86.795 -9.362 23.026 1.00 0.00 C ATOM 446 O PRO A 29 87.217 -8.795 24.014 1.00 0.00 O ATOM 447 CB PRO A 29 88.662 -9.923 21.404 1.00 0.00 C ATOM 448 CG PRO A 29 89.787 -9.080 21.911 1.00 0.00 C ATOM 449 CD PRO A 29 89.385 -7.625 21.633 1.00 0.00 C ATOM 0 HA PRO A 29 86.608 -9.284 20.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.605 -10.871 21.939 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.789 -10.160 20.348 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.947 -9.244 22.977 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.720 -9.330 21.406 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.713 -6.960 22.432 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.830 -7.257 20.709 1.00 0.00 H new ATOM 457 N PRO A 30 85.812 -10.231 23.108 1.00 0.00 N ATOM 458 CA PRO A 30 85.153 -10.578 24.402 1.00 0.00 C ATOM 459 C PRO A 30 86.138 -10.678 25.583 1.00 0.00 C ATOM 460 O PRO A 30 85.763 -10.514 26.726 1.00 0.00 O ATOM 461 CB PRO A 30 84.522 -11.945 24.113 1.00 0.00 C ATOM 462 CG PRO A 30 84.200 -11.928 22.648 1.00 0.00 C ATOM 463 CD PRO A 30 85.212 -10.980 21.982 1.00 0.00 C ATOM 0 HA PRO A 30 84.443 -9.810 24.709 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.210 -12.755 24.356 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.624 -12.099 24.712 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.272 -12.930 22.225 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.179 -11.584 22.480 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.968 -11.534 21.425 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.723 -10.310 21.275 1.00 0.00 H new ATOM 471 N VAL A 31 87.382 -10.972 25.320 1.00 0.00 N ATOM 472 CA VAL A 31 88.368 -11.107 26.438 1.00 0.00 C ATOM 473 C VAL A 31 88.474 -9.799 27.229 1.00 0.00 C ATOM 474 O VAL A 31 88.394 -9.790 28.442 1.00 0.00 O ATOM 475 CB VAL A 31 89.744 -11.458 25.851 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.830 -11.363 26.932 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.708 -12.886 25.299 1.00 0.00 C ATOM 0 H VAL A 31 87.760 -11.125 24.385 1.00 0.00 H new ATOM 0 HA VAL A 31 88.031 -11.894 27.112 1.00 0.00 H new ATOM 0 HB VAL A 31 89.977 -10.752 25.054 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.798 -11.615 26.499 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.862 -10.348 27.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.602 -12.059 27.739 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.682 -13.139 24.881 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.466 -13.581 26.103 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.950 -12.956 24.519 1.00 0.00 H new ATOM 487 N VAL A 32 88.664 -8.699 26.562 1.00 0.00 N ATOM 488 CA VAL A 32 88.791 -7.406 27.290 1.00 0.00 C ATOM 489 C VAL A 32 87.417 -6.939 27.768 1.00 0.00 C ATOM 490 O VAL A 32 87.273 -6.409 28.853 1.00 0.00 O ATOM 491 CB VAL A 32 89.396 -6.353 26.365 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.536 -5.032 27.124 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.773 -6.822 25.890 1.00 0.00 C ATOM 0 H VAL A 32 88.737 -8.637 25.547 1.00 0.00 H new ATOM 0 HA VAL A 32 89.441 -7.547 28.154 1.00 0.00 H new ATOM 0 HB VAL A 32 88.747 -6.208 25.501 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.968 -4.278 26.466 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.554 -4.700 27.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.186 -5.175 27.987 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.205 -6.070 25.229 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.425 -6.967 26.751 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.671 -7.764 25.350 1.00 0.00 H new ATOM 503 N ALA A 33 86.407 -7.117 26.963 1.00 0.00 N ATOM 504 CA ALA A 33 85.047 -6.668 27.367 1.00 0.00 C ATOM 505 C ALA A 33 84.637 -7.392 28.649 1.00 0.00 C ATOM 506 O ALA A 33 84.265 -6.778 29.630 1.00 0.00 O ATOM 507 CB ALA A 33 84.060 -6.993 26.244 1.00 0.00 C ATOM 0 H ALA A 33 86.465 -7.554 26.043 1.00 0.00 H new ATOM 0 HA ALA A 33 85.046 -5.593 27.548 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.061 -6.667 26.532 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.362 -6.476 25.333 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.053 -8.068 26.065 1.00 0.00 H new ATOM 513 N LYS A 34 84.726 -8.689 28.656 1.00 0.00 N ATOM 514 CA LYS A 34 84.372 -9.452 29.882 1.00 0.00 C ATOM 515 C LYS A 34 85.278 -9.013 31.032 1.00 0.00 C ATOM 516 O LYS A 34 84.850 -8.882 32.161 1.00 0.00 O ATOM 517 CB LYS A 34 84.553 -10.949 29.625 1.00 0.00 C ATOM 518 CG LYS A 34 83.473 -11.440 28.658 1.00 0.00 C ATOM 519 CD LYS A 34 83.658 -12.939 28.403 1.00 0.00 C ATOM 520 CE LYS A 34 82.560 -13.442 27.461 1.00 0.00 C ATOM 521 NZ LYS A 34 81.294 -13.618 28.228 1.00 0.00 N ATOM 0 H LYS A 34 85.029 -9.256 27.864 1.00 0.00 H new ATOM 0 HA LYS A 34 83.332 -9.257 30.145 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.542 -11.139 29.208 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.492 -11.499 30.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.484 -11.251 29.075 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.534 -10.890 27.719 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.639 -13.125 27.966 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.620 -13.485 29.345 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.410 -12.732 26.647 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.859 -14.387 27.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.581 -14.070 27.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.472 -14.217 29.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.945 -12.689 28.540 1.00 0.00 H new ATOM 535 N GLU A 35 86.532 -8.795 30.753 1.00 0.00 N ATOM 536 CA GLU A 35 87.478 -8.380 31.827 1.00 0.00 C ATOM 537 C GLU A 35 87.034 -7.053 32.445 1.00 0.00 C ATOM 538 O GLU A 35 87.120 -6.859 33.641 1.00 0.00 O ATOM 539 CB GLU A 35 88.876 -8.201 31.228 1.00 0.00 C ATOM 540 CG GLU A 35 89.893 -7.923 32.347 1.00 0.00 C ATOM 541 CD GLU A 35 89.813 -6.453 32.781 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.507 -5.620 31.942 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.056 -6.187 33.945 1.00 0.00 O ATOM 0 H GLU A 35 86.945 -8.886 29.825 1.00 0.00 H new ATOM 0 HA GLU A 35 87.491 -9.150 32.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.163 -9.097 30.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.873 -7.377 30.515 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.694 -8.573 33.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.900 -8.153 31.999 1.00 0.00 H new ATOM 550 N ILE A 36 86.572 -6.132 31.647 1.00 0.00 N ATOM 551 CA ILE A 36 86.142 -4.822 32.209 1.00 0.00 C ATOM 552 C ILE A 36 84.996 -5.060 33.201 1.00 0.00 C ATOM 553 O ILE A 36 84.959 -4.484 34.270 1.00 0.00 O ATOM 554 CB ILE A 36 85.699 -3.913 31.062 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.930 -3.512 30.240 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.038 -2.651 31.621 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.488 -2.882 28.918 1.00 0.00 C ATOM 0 H ILE A 36 86.474 -6.228 30.636 1.00 0.00 H new ATOM 0 HA ILE A 36 86.963 -4.338 32.737 1.00 0.00 H new ATOM 0 HB ILE A 36 84.984 -4.445 30.435 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.541 -2.806 30.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.550 -4.387 30.047 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.725 -2.009 30.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.167 -2.929 32.215 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.750 -2.115 32.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.367 -2.599 28.338 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.896 -3.601 28.352 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.886 -1.996 29.120 1.00 0.00 H new ATOM 569 N VAL A 37 84.084 -5.935 32.871 1.00 0.00 N ATOM 570 CA VAL A 37 82.967 -6.253 33.809 1.00 0.00 C ATOM 571 C VAL A 37 83.563 -6.976 35.018 1.00 0.00 C ATOM 572 O VAL A 37 83.162 -6.776 36.147 1.00 0.00 O ATOM 573 CB VAL A 37 81.962 -7.171 33.110 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.732 -7.356 33.998 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.533 -6.546 31.782 1.00 0.00 C ATOM 0 H VAL A 37 84.064 -6.446 31.988 1.00 0.00 H new ATOM 0 HA VAL A 37 82.457 -5.342 34.121 1.00 0.00 H new ATOM 0 HB VAL A 37 82.429 -8.138 32.925 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.018 -8.010 33.498 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.032 -7.803 34.946 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.268 -6.387 34.184 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.817 -7.201 31.286 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.069 -5.577 31.969 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.406 -6.413 31.144 1.00 0.00 H new ATOM 585 N ALA A 38 84.523 -7.828 34.769 1.00 0.00 N ATOM 586 CA ALA A 38 85.174 -8.598 35.867 1.00 0.00 C ATOM 587 C ALA A 38 85.823 -7.648 36.879 1.00 0.00 C ATOM 588 O ALA A 38 86.063 -8.010 38.013 1.00 0.00 O ATOM 589 CB ALA A 38 86.249 -9.506 35.273 1.00 0.00 C ATOM 0 H ALA A 38 84.888 -8.025 33.837 1.00 0.00 H new ATOM 0 HA ALA A 38 84.416 -9.193 36.377 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.729 -10.072 36.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.791 -10.196 34.564 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.995 -8.899 34.759 1.00 0.00 H new ATOM 595 N SER A 39 86.125 -6.439 36.482 1.00 0.00 N ATOM 596 CA SER A 39 86.775 -5.486 37.433 1.00 0.00 C ATOM 597 C SER A 39 85.700 -4.676 38.151 1.00 0.00 C ATOM 598 O SER A 39 85.841 -4.329 39.306 1.00 0.00 O ATOM 599 CB SER A 39 87.692 -4.537 36.659 1.00 0.00 C ATOM 600 OG SER A 39 88.626 -5.300 35.904 1.00 0.00 O ATOM 0 H SER A 39 85.951 -6.071 35.547 1.00 0.00 H new ATOM 0 HA SER A 39 87.362 -6.044 38.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.103 -3.903 35.997 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.217 -3.877 37.349 1.00 0.00 H new ATOM 0 HG SER A 39 88.598 -5.017 34.966 1.00 0.00 H new ATOM 606 N CYS A 40 84.616 -4.388 37.488 1.00 0.00 N ATOM 607 CA CYS A 40 83.529 -3.621 38.153 1.00 0.00 C ATOM 608 C CYS A 40 83.047 -4.421 39.367 1.00 0.00 C ATOM 609 O CYS A 40 82.796 -5.605 39.275 1.00 0.00 O ATOM 610 CB CYS A 40 82.377 -3.414 37.167 1.00 0.00 C ATOM 611 SG CYS A 40 81.370 -2.009 37.699 1.00 0.00 S ATOM 0 H CYS A 40 84.436 -4.649 36.519 1.00 0.00 H new ATOM 0 HA CYS A 40 83.893 -2.646 38.476 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.769 -3.235 36.166 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.764 -4.314 37.113 1.00 0.00 H new ATOM 0 HG CYS A 40 80.393 -1.833 36.860 1.00 0.00 H new ATOM 616 N ASP A 41 82.926 -3.795 40.505 1.00 0.00 N ATOM 617 CA ASP A 41 82.473 -4.543 41.711 1.00 0.00 C ATOM 618 C ASP A 41 80.956 -4.742 41.669 1.00 0.00 C ATOM 619 O ASP A 41 80.427 -5.672 42.244 1.00 0.00 O ATOM 620 CB ASP A 41 82.851 -3.755 42.969 1.00 0.00 C ATOM 621 CG ASP A 41 84.370 -3.784 43.154 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.001 -4.659 42.582 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.878 -2.929 43.862 1.00 0.00 O ATOM 0 H ASP A 41 83.120 -2.804 40.652 1.00 0.00 H new ATOM 0 HA ASP A 41 82.958 -5.519 41.728 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.504 -2.725 42.883 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.360 -4.185 43.842 1.00 0.00 H new ATOM 628 N LYS A 42 80.248 -3.877 41.000 1.00 0.00 N ATOM 629 CA LYS A 42 78.766 -4.027 40.937 1.00 0.00 C ATOM 630 C LYS A 42 78.395 -5.205 40.031 1.00 0.00 C ATOM 631 O LYS A 42 77.485 -5.957 40.317 1.00 0.00 O ATOM 632 CB LYS A 42 78.151 -2.746 40.369 1.00 0.00 C ATOM 633 CG LYS A 42 78.292 -1.609 41.384 1.00 0.00 C ATOM 634 CD LYS A 42 77.675 -0.332 40.808 1.00 0.00 C ATOM 635 CE LYS A 42 77.814 0.807 41.819 1.00 0.00 C ATOM 636 NZ LYS A 42 77.297 2.069 41.217 1.00 0.00 N ATOM 0 H LYS A 42 80.628 -3.076 40.496 1.00 0.00 H new ATOM 0 HA LYS A 42 78.384 -4.211 41.941 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.646 -2.477 39.436 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.099 -2.909 40.136 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.796 -1.876 42.317 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.344 -1.444 41.618 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.171 -0.066 39.875 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.623 -0.498 40.574 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.260 0.571 42.728 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.859 0.929 42.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.391 2.845 41.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.844 2.295 40.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.295 1.949 40.965 1.00 0.00 H new ATOM 650 N CYS A 43 79.088 -5.367 38.934 1.00 0.00 N ATOM 651 CA CYS A 43 78.769 -6.492 38.008 1.00 0.00 C ATOM 652 C CYS A 43 79.412 -7.783 38.518 1.00 0.00 C ATOM 653 O CYS A 43 79.191 -8.851 37.982 1.00 0.00 O ATOM 654 CB CYS A 43 79.290 -6.177 36.609 1.00 0.00 C ATOM 655 SG CYS A 43 78.566 -4.620 36.029 1.00 0.00 S ATOM 0 H CYS A 43 79.860 -4.769 38.640 1.00 0.00 H new ATOM 0 HA CYS A 43 77.688 -6.621 37.967 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.377 -6.102 36.623 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.035 -6.986 35.924 1.00 0.00 H new ATOM 0 HG CYS A 43 79.012 -4.351 34.838 1.00 0.00 H new ATOM 660 N GLN A 44 80.217 -7.694 39.542 1.00 0.00 N ATOM 661 CA GLN A 44 80.884 -8.916 40.073 1.00 0.00 C ATOM 662 C GLN A 44 79.898 -9.706 40.937 1.00 0.00 C ATOM 663 O GLN A 44 79.450 -10.774 40.571 1.00 0.00 O ATOM 664 CB GLN A 44 82.084 -8.497 40.934 1.00 0.00 C ATOM 665 CG GLN A 44 82.939 -9.724 41.279 1.00 0.00 C ATOM 666 CD GLN A 44 83.857 -10.066 40.103 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.945 -11.207 39.695 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.553 -9.118 39.541 1.00 0.00 N ATOM 0 H GLN A 44 80.441 -6.829 40.033 1.00 0.00 H new ATOM 0 HA GLN A 44 81.219 -9.539 39.243 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.687 -7.763 40.399 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.736 -8.018 41.849 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.534 -9.525 42.170 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.296 -10.573 41.509 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.479 -8.160 39.883 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.171 -9.334 38.759 1.00 0.00 H new ATOM 677 N LEU A 45 79.557 -9.187 42.083 1.00 0.00 N ATOM 678 CA LEU A 45 78.600 -9.901 42.980 1.00 0.00 C ATOM 679 C LEU A 45 77.166 -9.504 42.628 1.00 0.00 C ATOM 680 O LEU A 45 76.874 -8.348 42.398 1.00 0.00 O ATOM 681 CB LEU A 45 78.880 -9.502 44.430 1.00 0.00 C ATOM 682 CG LEU A 45 80.334 -9.828 44.788 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.599 -9.405 46.236 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.591 -11.342 44.632 1.00 0.00 C ATOM 0 H LEU A 45 79.900 -8.295 42.440 1.00 0.00 H new ATOM 0 HA LEU A 45 78.723 -10.977 42.854 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.693 -8.437 44.566 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.203 -10.033 45.100 1.00 0.00 H new ATOM 0 HG LEU A 45 81.003 -9.288 44.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.632 -9.634 46.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.427 -8.334 46.339 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.927 -9.946 46.902 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.627 -11.564 44.889 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.926 -11.894 45.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.401 -11.639 43.600 1.00 0.00 H new ATOM 839 N PHE B 1 96.123 -12.158 23.371 1.00 0.00 N ATOM 840 CA PHE B 1 95.111 -13.026 22.704 1.00 0.00 C ATOM 841 C PHE B 1 95.796 -14.298 22.208 1.00 0.00 C ATOM 842 O PHE B 1 95.871 -14.562 21.024 1.00 0.00 O ATOM 843 CB PHE B 1 94.507 -12.278 21.521 1.00 0.00 C ATOM 844 CG PHE B 1 94.228 -10.846 21.919 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.172 -10.553 22.792 1.00 0.00 C ATOM 846 CD2 PHE B 1 95.024 -9.809 21.413 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.914 -9.222 23.157 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.766 -8.483 21.778 1.00 0.00 C ATOM 849 CZ PHE B 1 93.710 -8.190 22.649 1.00 0.00 C ATOM 0 H1 PHE B 1 96.013 -11.179 23.039 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.984 -12.192 24.401 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.078 -12.497 23.139 1.00 0.00 H new ATOM 0 HA PHE B 1 94.322 -13.285 23.409 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.191 -12.304 20.673 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.585 -12.764 21.202 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.557 -11.350 23.184 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.838 -10.034 20.740 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.101 -8.995 23.830 1.00 0.00 H new ATOM 0 HE2 PHE B 1 95.381 -7.686 21.388 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.510 -7.166 22.929 1.00 0.00 H new ATOM 861 N LEU B 2 96.313 -15.075 23.112 1.00 0.00 N ATOM 862 CA LEU B 2 97.025 -16.331 22.726 1.00 0.00 C ATOM 863 C LEU B 2 96.104 -17.537 22.869 1.00 0.00 C ATOM 864 O LEU B 2 95.327 -17.630 23.792 1.00 0.00 O ATOM 865 CB LEU B 2 98.245 -16.521 23.632 1.00 0.00 C ATOM 866 CG LEU B 2 99.164 -15.298 23.537 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.300 -15.447 24.553 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.746 -15.181 22.116 1.00 0.00 C ATOM 0 H LEU B 2 96.275 -14.896 24.115 1.00 0.00 H new ATOM 0 HA LEU B 2 97.338 -16.248 21.685 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.923 -16.665 24.663 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.789 -17.419 23.339 1.00 0.00 H new ATOM 0 HG LEU B 2 98.591 -14.396 23.754 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.959 -14.581 24.492 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.883 -15.516 25.558 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.868 -16.351 24.334 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.397 -14.309 22.060 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.320 -16.078 21.883 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.933 -15.073 21.398 1.00 0.00 H new ATOM 880 N ASP B 3 96.201 -18.473 21.966 1.00 0.00 N ATOM 881 CA ASP B 3 95.346 -19.683 22.068 1.00 0.00 C ATOM 882 C ASP B 3 95.666 -20.372 23.390 1.00 0.00 C ATOM 883 O ASP B 3 94.793 -20.852 24.085 1.00 0.00 O ATOM 884 CB ASP B 3 95.651 -20.636 20.910 1.00 0.00 C ATOM 885 CG ASP B 3 95.141 -20.032 19.600 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.320 -19.132 19.666 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.582 -20.478 18.555 1.00 0.00 O ATOM 0 H ASP B 3 96.833 -18.451 21.166 1.00 0.00 H new ATOM 0 HA ASP B 3 94.293 -19.405 22.023 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.724 -20.815 20.846 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.177 -21.602 21.086 1.00 0.00 H new ATOM 892 N GLY B 4 96.924 -20.409 23.750 1.00 0.00 N ATOM 893 CA GLY B 4 97.318 -21.050 25.037 1.00 0.00 C ATOM 894 C GLY B 4 96.390 -20.557 26.147 1.00 0.00 C ATOM 895 O GLY B 4 96.297 -21.148 27.203 1.00 0.00 O ATOM 0 H GLY B 4 97.695 -20.022 23.206 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.257 -22.135 24.951 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.353 -20.807 25.277 1.00 0.00 H new ATOM 899 N ILE B 5 95.688 -19.482 25.908 1.00 0.00 N ATOM 900 CA ILE B 5 94.752 -18.966 26.942 1.00 0.00 C ATOM 901 C ILE B 5 93.707 -20.043 27.239 1.00 0.00 C ATOM 902 O ILE B 5 93.356 -20.280 28.378 1.00 0.00 O ATOM 903 CB ILE B 5 94.084 -17.679 26.438 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.122 -16.555 26.404 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.933 -17.289 27.372 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.557 -15.357 25.632 1.00 0.00 C ATOM 0 H ILE B 5 95.723 -18.942 25.044 1.00 0.00 H new ATOM 0 HA ILE B 5 95.292 -18.731 27.859 1.00 0.00 H new ATOM 0 HB ILE B 5 93.687 -17.844 25.436 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.383 -16.256 27.419 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.038 -16.907 25.930 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.463 -16.375 27.009 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.196 -18.091 27.395 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.320 -17.123 28.377 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.297 -14.557 25.609 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.319 -15.661 24.613 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.653 -15.000 26.125 1.00 0.00 H new ATOM 918 N ASP B 6 93.234 -20.724 26.232 1.00 0.00 N ATOM 919 CA ASP B 6 92.242 -21.809 26.474 1.00 0.00 C ATOM 920 C ASP B 6 92.902 -22.863 27.363 1.00 0.00 C ATOM 921 O ASP B 6 92.297 -23.400 28.268 1.00 0.00 O ATOM 922 CB ASP B 6 91.819 -22.437 25.143 1.00 0.00 C ATOM 923 CG ASP B 6 90.963 -21.441 24.358 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.421 -20.539 24.976 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.857 -21.602 23.153 1.00 0.00 O ATOM 0 H ASP B 6 93.490 -20.577 25.256 1.00 0.00 H new ATOM 0 HA ASP B 6 91.353 -21.407 26.961 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.700 -22.713 24.563 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.257 -23.353 25.323 1.00 0.00 H new ATOM 930 N LYS B 7 94.150 -23.146 27.115 1.00 0.00 N ATOM 931 CA LYS B 7 94.877 -24.146 27.945 1.00 0.00 C ATOM 932 C LYS B 7 94.967 -23.624 29.380 1.00 0.00 C ATOM 933 O LYS B 7 94.827 -24.362 30.335 1.00 0.00 O ATOM 934 CB LYS B 7 96.289 -24.342 27.382 1.00 0.00 C ATOM 935 CG LYS B 7 97.023 -25.417 28.188 1.00 0.00 C ATOM 936 CD LYS B 7 98.431 -25.606 27.620 1.00 0.00 C ATOM 937 CE LYS B 7 99.142 -26.722 28.387 1.00 0.00 C ATOM 938 NZ LYS B 7 98.333 -27.972 28.307 1.00 0.00 N ATOM 0 H LYS B 7 94.701 -22.724 26.368 1.00 0.00 H new ATOM 0 HA LYS B 7 94.347 -25.099 27.931 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.235 -24.634 26.333 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.841 -23.403 27.424 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.078 -25.126 29.237 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.473 -26.357 28.146 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.377 -25.855 26.560 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.996 -24.677 27.701 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.134 -26.891 27.969 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.280 -26.431 29.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.968 -28.794 28.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.727 -28.048 29.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.739 -27.947 27.454 1.00 0.00 H new ATOM 952 N ALA B 8 95.204 -22.350 29.535 1.00 0.00 N ATOM 953 CA ALA B 8 95.313 -21.765 30.899 1.00 0.00 C ATOM 954 C ALA B 8 94.006 -21.990 31.666 1.00 0.00 C ATOM 955 O ALA B 8 94.007 -22.146 32.872 1.00 0.00 O ATOM 956 CB ALA B 8 95.585 -20.264 30.779 1.00 0.00 C ATOM 0 H ALA B 8 95.327 -21.687 28.770 1.00 0.00 H new ATOM 0 HA ALA B 8 96.129 -22.246 31.438 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.666 -19.828 31.775 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.517 -20.105 30.236 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.766 -19.788 30.240 1.00 0.00 H new ATOM 962 N GLN B 9 92.891 -22.013 30.985 1.00 0.00 N ATOM 963 CA GLN B 9 91.597 -22.231 31.695 1.00 0.00 C ATOM 964 C GLN B 9 91.643 -23.589 32.401 1.00 0.00 C ATOM 965 O GLN B 9 91.345 -23.705 33.574 1.00 0.00 O ATOM 966 CB GLN B 9 90.449 -22.240 30.678 1.00 0.00 C ATOM 967 CG GLN B 9 90.255 -20.839 30.086 1.00 0.00 C ATOM 968 CD GLN B 9 89.478 -19.958 31.068 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.741 -20.456 31.896 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.611 -18.663 31.008 1.00 0.00 N ATOM 0 H GLN B 9 92.820 -21.891 29.975 1.00 0.00 H new ATOM 0 HA GLN B 9 91.438 -21.433 32.420 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.664 -22.953 29.882 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.529 -22.570 31.160 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.224 -20.389 29.870 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.717 -20.906 29.141 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.230 -18.246 30.313 1.00 0.00 H new ATOM 0 HE22 GLN B 9 89.096 -18.067 31.656 1.00 0.00 H new ATOM 979 N GLU B 10 92.024 -24.617 31.692 1.00 0.00 N ATOM 980 CA GLU B 10 92.103 -25.974 32.306 1.00 0.00 C ATOM 981 C GLU B 10 93.107 -25.962 33.460 1.00 0.00 C ATOM 982 O GLU B 10 92.915 -26.608 34.472 1.00 0.00 O ATOM 983 CB GLU B 10 92.539 -26.996 31.251 1.00 0.00 C ATOM 984 CG GLU B 10 92.568 -28.400 31.868 1.00 0.00 C ATOM 985 CD GLU B 10 93.002 -29.415 30.812 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.079 -29.040 29.654 1.00 0.00 O ATOM 987 OE2 GLU B 10 93.242 -30.555 31.178 1.00 0.00 O ATOM 0 H GLU B 10 92.286 -24.575 30.707 1.00 0.00 H new ATOM 0 HA GLU B 10 91.121 -26.251 32.689 1.00 0.00 H new ATOM 0 HB2 GLU B 10 91.852 -26.975 30.405 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.526 -26.737 30.867 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.256 -28.423 32.713 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.582 -28.660 32.253 1.00 0.00 H new ATOM 994 N GLU B 11 94.192 -25.253 33.303 1.00 0.00 N ATOM 995 CA GLU B 11 95.236 -25.217 34.372 1.00 0.00 C ATOM 996 C GLU B 11 94.932 -24.080 35.358 1.00 0.00 C ATOM 997 O GLU B 11 95.611 -23.905 36.351 1.00 0.00 O ATOM 998 CB GLU B 11 96.599 -24.990 33.705 1.00 0.00 C ATOM 999 CG GLU B 11 97.723 -25.096 34.737 1.00 0.00 C ATOM 1000 CD GLU B 11 99.074 -25.116 34.018 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.073 -25.157 32.800 1.00 0.00 O ATOM 1002 OE2 GLU B 11 100.086 -25.087 34.701 1.00 0.00 O ATOM 0 H GLU B 11 94.403 -24.694 32.477 1.00 0.00 H new ATOM 0 HA GLU B 11 95.245 -26.157 34.924 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.751 -25.726 32.915 1.00 0.00 H new ATOM 0 HB3 GLU B 11 96.621 -24.007 33.234 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.678 -24.253 35.427 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.602 -26.002 35.331 1.00 0.00 H new ATOM 1009 N CYS B 12 93.900 -23.321 35.111 1.00 0.00 N ATOM 1010 CA CYS B 12 93.545 -22.215 36.049 1.00 0.00 C ATOM 1011 C CYS B 12 93.480 -22.757 37.482 1.00 0.00 C ATOM 1012 O CYS B 12 93.835 -22.083 38.427 1.00 0.00 O ATOM 1013 CB CYS B 12 92.179 -21.640 35.666 1.00 0.00 C ATOM 1014 SG CYS B 12 91.733 -20.316 36.822 1.00 0.00 S ATOM 0 H CYS B 12 93.287 -23.417 34.302 1.00 0.00 H new ATOM 0 HA CYS B 12 94.303 -21.434 35.988 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.208 -21.253 34.647 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.423 -22.425 35.687 1.00 0.00 H new ATOM 0 HG CYS B 12 92.475 -20.401 37.886 1.00 0.00 H new ATOM 1019 N GLU B 13 93.010 -23.963 37.646 1.00 0.00 N ATOM 1020 CA GLU B 13 92.900 -24.548 39.014 1.00 0.00 C ATOM 1021 C GLU B 13 94.284 -24.613 39.672 1.00 0.00 C ATOM 1022 O GLU B 13 94.428 -24.361 40.849 1.00 0.00 O ATOM 1023 CB GLU B 13 92.310 -25.960 38.904 1.00 0.00 C ATOM 1024 CG GLU B 13 92.156 -26.578 40.299 1.00 0.00 C ATOM 1025 CD GLU B 13 91.565 -27.983 40.168 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.141 -28.327 39.078 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.550 -28.692 41.161 1.00 0.00 O ATOM 0 H GLU B 13 92.696 -24.571 36.890 1.00 0.00 H new ATOM 0 HA GLU B 13 92.252 -23.923 39.628 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.341 -25.920 38.407 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.957 -26.586 38.290 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.124 -26.623 40.798 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.508 -25.955 40.916 1.00 0.00 H new ATOM 1034 N LYS B 14 95.297 -24.963 38.928 1.00 0.00 N ATOM 1035 CA LYS B 14 96.667 -25.062 39.519 1.00 0.00 C ATOM 1036 C LYS B 14 97.108 -23.703 40.077 1.00 0.00 C ATOM 1037 O LYS B 14 97.727 -23.629 41.120 1.00 0.00 O ATOM 1038 CB LYS B 14 97.650 -25.511 38.432 1.00 0.00 C ATOM 1039 CG LYS B 14 99.078 -25.629 38.993 1.00 0.00 C ATOM 1040 CD LYS B 14 99.133 -26.674 40.117 1.00 0.00 C ATOM 1041 CE LYS B 14 100.580 -27.137 40.315 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.425 -25.975 40.711 1.00 0.00 N ATOM 0 H LYS B 14 95.238 -25.186 37.934 1.00 0.00 H new ATOM 0 HA LYS B 14 96.653 -25.787 40.333 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.335 -26.472 38.026 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.637 -24.797 37.608 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.766 -25.909 38.195 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.407 -24.661 39.372 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.746 -26.248 41.043 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.499 -27.525 39.868 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.624 -27.910 41.082 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.960 -27.580 39.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.338 -26.317 41.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.586 -25.365 39.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.941 -25.431 41.453 1.00 0.00 H new ATOM 1056 N TYR B 15 96.814 -22.629 39.393 1.00 0.00 N ATOM 1057 CA TYR B 15 97.243 -21.289 39.895 1.00 0.00 C ATOM 1058 C TYR B 15 96.201 -20.744 40.877 1.00 0.00 C ATOM 1059 O TYR B 15 96.505 -19.926 41.721 1.00 0.00 O ATOM 1060 CB TYR B 15 97.382 -20.322 38.716 1.00 0.00 C ATOM 1061 CG TYR B 15 98.491 -20.794 37.801 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.829 -20.580 38.156 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.183 -21.446 36.599 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.857 -21.016 37.310 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.212 -21.882 35.754 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.548 -21.667 36.110 1.00 0.00 C ATOM 1067 OH TYR B 15 101.561 -22.096 35.275 1.00 0.00 O ATOM 0 H TYR B 15 96.298 -22.620 38.513 1.00 0.00 H new ATOM 0 HA TYR B 15 98.202 -21.388 40.404 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.442 -20.265 38.166 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.599 -19.318 39.080 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.068 -20.079 39.082 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.152 -21.612 36.324 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.888 -20.850 37.584 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.974 -22.384 34.828 1.00 0.00 H new ATOM 0 HH TYR B 15 102.414 -21.717 35.574 1.00 0.00 H new ATOM 1077 N HIS B 16 94.980 -21.194 40.773 1.00 0.00 N ATOM 1078 CA HIS B 16 93.916 -20.715 41.705 1.00 0.00 C ATOM 1079 C HIS B 16 93.809 -19.186 41.636 1.00 0.00 C ATOM 1080 O HIS B 16 93.514 -18.619 40.603 1.00 0.00 O ATOM 1081 CB HIS B 16 94.232 -21.152 43.143 1.00 0.00 C ATOM 1082 CG HIS B 16 94.134 -22.649 43.255 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.256 -23.466 43.256 1.00 0.00 N ATOM 1084 CD2 HIS B 16 93.056 -23.491 43.385 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.832 -24.738 43.385 1.00 0.00 C ATOM 1086 NE2 HIS B 16 93.502 -24.806 43.466 1.00 0.00 N ATOM 0 H HIS B 16 94.671 -21.876 40.080 1.00 0.00 H new ATOM 0 HA HIS B 16 92.964 -21.154 41.405 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.233 -20.822 43.421 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.537 -20.680 43.837 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.022 -23.180 43.419 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.487 -25.596 43.419 1.00 0.00 H new ATOM 0 HE2 HIS B 16 92.932 -25.646 43.566 1.00 0.00 H new ATOM 1095 N SER B 17 94.038 -18.517 42.739 1.00 0.00 N ATOM 1096 CA SER B 17 93.942 -17.027 42.759 1.00 0.00 C ATOM 1097 C SER B 17 95.281 -16.396 42.355 1.00 0.00 C ATOM 1098 O SER B 17 95.374 -15.199 42.168 1.00 0.00 O ATOM 1099 CB SER B 17 93.570 -16.566 44.167 1.00 0.00 C ATOM 1100 OG SER B 17 92.233 -16.958 44.449 1.00 0.00 O ATOM 0 H SER B 17 94.289 -18.943 43.631 1.00 0.00 H new ATOM 0 HA SER B 17 93.178 -16.713 42.048 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.251 -17.002 44.897 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.669 -15.483 44.246 1.00 0.00 H new ATOM 0 HG SER B 17 91.990 -16.666 45.352 1.00 0.00 H new ATOM 1106 N ASN B 18 96.318 -17.178 42.230 1.00 0.00 N ATOM 1107 CA ASN B 18 97.640 -16.594 41.851 1.00 0.00 C ATOM 1108 C ASN B 18 97.678 -16.329 40.347 1.00 0.00 C ATOM 1109 O ASN B 18 98.412 -16.964 39.616 1.00 0.00 O ATOM 1110 CB ASN B 18 98.763 -17.572 42.210 1.00 0.00 C ATOM 1111 CG ASN B 18 98.925 -17.648 43.727 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.499 -16.762 44.442 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.538 -18.673 44.251 1.00 0.00 N ATOM 0 H ASN B 18 96.310 -18.188 42.372 1.00 0.00 H new ATOM 0 HA ASN B 18 97.779 -15.659 42.394 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.537 -18.561 41.810 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.698 -17.249 41.752 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.660 -18.732 45.262 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.895 -19.416 43.650 1.00 0.00 H new ATOM 1120 N TRP B 19 96.903 -15.390 39.877 1.00 0.00 N ATOM 1121 CA TRP B 19 96.913 -15.086 38.419 1.00 0.00 C ATOM 1122 C TRP B 19 98.241 -14.423 38.051 1.00 0.00 C ATOM 1123 O TRP B 19 98.690 -14.491 36.924 1.00 0.00 O ATOM 1124 CB TRP B 19 95.753 -14.148 38.073 1.00 0.00 C ATOM 1125 CG TRP B 19 95.878 -12.867 38.836 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.280 -12.611 40.020 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.634 -11.667 38.491 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.612 -11.329 40.422 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.447 -10.708 39.515 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.453 -11.318 37.401 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.050 -9.450 39.460 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.062 -10.054 37.344 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.861 -9.122 38.371 1.00 0.00 C ATOM 0 H TRP B 19 96.266 -14.823 40.437 1.00 0.00 H new ATOM 0 HA TRP B 19 96.798 -16.012 37.856 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.749 -13.943 37.002 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.804 -14.629 38.309 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.646 -13.295 40.564 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.280 -10.896 41.284 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.614 -12.027 36.603 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.891 -8.735 40.254 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.690 -9.798 36.503 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.332 -8.152 38.321 1.00 0.00 H new ATOM 1144 N ARG B 20 98.874 -13.781 38.996 1.00 0.00 N ATOM 1145 CA ARG B 20 100.174 -13.114 38.702 1.00 0.00 C ATOM 1146 C ARG B 20 101.188 -14.155 38.230 1.00 0.00 C ATOM 1147 O ARG B 20 101.949 -13.925 37.311 1.00 0.00 O ATOM 1148 CB ARG B 20 100.700 -12.445 39.974 1.00 0.00 C ATOM 1149 CG ARG B 20 99.827 -11.241 40.327 1.00 0.00 C ATOM 1150 CD ARG B 20 100.365 -10.586 41.599 1.00 0.00 C ATOM 1151 NE ARG B 20 99.517 -9.414 41.953 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.594 -8.889 43.146 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.407 -9.399 44.031 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.858 -7.857 43.455 1.00 0.00 N ATOM 0 H ARG B 20 98.547 -13.690 39.958 1.00 0.00 H new ATOM 0 HA ARG B 20 100.028 -12.365 37.923 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.700 -13.159 40.798 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.732 -12.127 39.828 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.827 -10.524 39.506 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.794 -11.556 40.475 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.369 -11.306 42.418 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.397 -10.269 41.449 1.00 0.00 H new ATOM 0 HE ARG B 20 98.876 -9.021 41.263 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.981 -10.207 43.790 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.468 -8.990 44.963 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.221 -7.459 42.764 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.919 -7.448 44.387 1.00 0.00 H new ATOM 1168 N ALA B 21 101.207 -15.300 38.854 1.00 0.00 N ATOM 1169 CA ALA B 21 102.175 -16.355 38.443 1.00 0.00 C ATOM 1170 C ALA B 21 101.806 -16.863 37.050 1.00 0.00 C ATOM 1171 O ALA B 21 102.650 -17.024 36.190 1.00 0.00 O ATOM 1172 CB ALA B 21 102.118 -17.512 39.442 1.00 0.00 C ATOM 0 H ALA B 21 100.595 -15.551 39.630 1.00 0.00 H new ATOM 0 HA ALA B 21 103.183 -15.942 38.424 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.826 -18.286 39.144 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.377 -17.147 40.436 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.111 -17.929 39.459 1.00 0.00 H new ATOM 1178 N MET B 22 100.548 -17.113 36.821 1.00 0.00 N ATOM 1179 CA MET B 22 100.111 -17.606 35.485 1.00 0.00 C ATOM 1180 C MET B 22 100.433 -16.557 34.419 1.00 0.00 C ATOM 1181 O MET B 22 100.901 -16.876 33.346 1.00 0.00 O ATOM 1182 CB MET B 22 98.606 -17.862 35.516 1.00 0.00 C ATOM 1183 CG MET B 22 98.142 -18.369 34.150 1.00 0.00 C ATOM 1184 SD MET B 22 96.405 -18.867 34.248 1.00 0.00 S ATOM 1185 CE MET B 22 95.728 -17.259 34.729 1.00 0.00 C ATOM 0 H MET B 22 99.800 -16.997 37.504 1.00 0.00 H new ATOM 0 HA MET B 22 100.636 -18.531 35.245 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.368 -18.595 36.287 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.076 -16.945 35.773 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.266 -17.588 33.400 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.756 -19.213 33.836 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.665 -17.226 34.490 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.864 -17.113 35.801 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.247 -16.469 34.186 1.00 0.00 H new ATOM 1195 N ALA B 23 100.196 -15.304 34.704 1.00 0.00 N ATOM 1196 CA ALA B 23 100.501 -14.252 33.696 1.00 0.00 C ATOM 1197 C ALA B 23 101.988 -14.319 33.351 1.00 0.00 C ATOM 1198 O ALA B 23 102.385 -14.172 32.211 1.00 0.00 O ATOM 1199 CB ALA B 23 100.170 -12.877 34.278 1.00 0.00 C ATOM 0 H ALA B 23 99.807 -14.967 35.585 1.00 0.00 H new ATOM 0 HA ALA B 23 99.905 -14.412 32.798 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.393 -12.106 33.540 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.112 -12.836 34.536 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.769 -12.707 35.173 1.00 0.00 H new ATOM 1205 N SER B 24 102.810 -14.539 34.337 1.00 0.00 N ATOM 1206 CA SER B 24 104.278 -14.621 34.095 1.00 0.00 C ATOM 1207 C SER B 24 104.605 -15.865 33.265 1.00 0.00 C ATOM 1208 O SER B 24 105.483 -15.845 32.426 1.00 0.00 O ATOM 1209 CB SER B 24 105.004 -14.700 35.436 1.00 0.00 C ATOM 1210 OG SER B 24 104.709 -13.535 36.196 1.00 0.00 O ATOM 0 H SER B 24 102.526 -14.667 35.308 1.00 0.00 H new ATOM 0 HA SER B 24 104.602 -13.735 33.549 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.693 -15.592 35.980 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.079 -14.783 35.277 1.00 0.00 H new ATOM 0 HG SER B 24 103.825 -13.628 36.608 1.00 0.00 H new ATOM 1216 N ASP B 25 103.920 -16.953 33.497 1.00 0.00 N ATOM 1217 CA ASP B 25 104.215 -18.198 32.725 1.00 0.00 C ATOM 1218 C ASP B 25 103.780 -18.032 31.269 1.00 0.00 C ATOM 1219 O ASP B 25 104.464 -18.455 30.358 1.00 0.00 O ATOM 1220 CB ASP B 25 103.460 -19.373 33.347 1.00 0.00 C ATOM 1221 CG ASP B 25 104.078 -19.727 34.701 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.222 -19.363 34.921 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.401 -20.363 35.491 1.00 0.00 O ATOM 0 H ASP B 25 103.171 -17.035 34.185 1.00 0.00 H new ATOM 0 HA ASP B 25 105.288 -18.388 32.757 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.408 -19.116 33.473 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.500 -20.236 32.682 1.00 0.00 H new ATOM 1228 N PHE B 26 102.657 -17.410 31.036 1.00 0.00 N ATOM 1229 CA PHE B 26 102.187 -17.204 29.631 1.00 0.00 C ATOM 1230 C PHE B 26 102.630 -15.815 29.157 1.00 0.00 C ATOM 1231 O PHE B 26 102.366 -15.414 28.041 1.00 0.00 O ATOM 1232 CB PHE B 26 100.660 -17.320 29.570 1.00 0.00 C ATOM 1233 CG PHE B 26 100.247 -18.761 29.792 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.991 -19.230 31.088 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.116 -19.631 28.698 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.606 -20.562 31.287 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.731 -20.961 28.900 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.476 -21.426 30.195 1.00 0.00 C ATOM 0 H PHE B 26 102.042 -17.034 31.757 1.00 0.00 H new ATOM 0 HA PHE B 26 102.619 -17.966 28.982 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.207 -16.681 30.328 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.298 -16.973 28.602 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.091 -18.565 31.933 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.313 -19.273 27.698 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.409 -20.923 32.286 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.631 -21.628 28.057 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.179 -22.452 30.351 1.00 0.00 H new ATOM 1248 N ASN B 27 103.314 -15.082 29.999 1.00 0.00 N ATOM 1249 CA ASN B 27 103.793 -13.722 29.607 1.00 0.00 C ATOM 1250 C ASN B 27 102.632 -12.889 29.058 1.00 0.00 C ATOM 1251 O ASN B 27 102.730 -12.294 28.004 1.00 0.00 O ATOM 1252 CB ASN B 27 104.876 -13.848 28.534 1.00 0.00 C ATOM 1253 CG ASN B 27 106.099 -14.554 29.125 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.460 -14.289 30.349 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.726 -15.359 28.466 1.00 0.00 N flip ATOM 0 H ASN B 27 103.562 -15.369 30.946 1.00 0.00 H new ATOM 0 HA ASN B 27 104.203 -13.227 30.488 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.495 -14.410 27.681 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.155 -12.861 28.166 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.442 -15.565 27.508 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.536 -15.829 28.870 1.00 0.00 H new ATOM 1262 N LEU B 28 101.535 -12.839 29.773 1.00 0.00 N ATOM 1263 CA LEU B 28 100.349 -12.043 29.314 1.00 0.00 C ATOM 1264 C LEU B 28 100.100 -10.899 30.305 1.00 0.00 C ATOM 1265 O LEU B 28 100.461 -10.995 31.461 1.00 0.00 O ATOM 1266 CB LEU B 28 99.121 -12.963 29.290 1.00 0.00 C ATOM 1267 CG LEU B 28 99.139 -13.839 28.027 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.218 -15.045 28.238 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.656 -13.034 26.803 1.00 0.00 C ATOM 0 H LEU B 28 101.407 -13.319 30.664 1.00 0.00 H new ATOM 0 HA LEU B 28 100.532 -11.635 28.320 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.113 -13.594 30.179 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.209 -12.366 29.314 1.00 0.00 H new ATOM 0 HG LEU B 28 100.160 -14.175 27.844 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.227 -15.670 27.345 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.569 -15.626 29.091 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.202 -14.698 28.428 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.676 -13.670 25.918 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.638 -12.684 26.976 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.313 -12.178 26.649 1.00 0.00 H new ATOM 1281 N PRO B 29 99.481 -9.821 29.873 1.00 0.00 N ATOM 1282 CA PRO B 29 99.190 -8.668 30.771 1.00 0.00 C ATOM 1283 C PRO B 29 98.004 -8.970 31.711 1.00 0.00 C ATOM 1284 O PRO B 29 97.110 -9.710 31.354 1.00 0.00 O ATOM 1285 CB PRO B 29 98.844 -7.536 29.797 1.00 0.00 C ATOM 1286 CG PRO B 29 98.264 -8.227 28.606 1.00 0.00 C ATOM 1287 CD PRO B 29 98.995 -9.573 28.498 1.00 0.00 C ATOM 0 HA PRO B 29 100.025 -8.427 31.428 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.131 -6.839 30.237 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.729 -6.960 29.529 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.191 -8.375 28.725 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.406 -7.633 27.703 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.327 -10.365 28.161 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.818 -9.525 27.785 1.00 0.00 H new ATOM 1295 N PRO B 30 97.991 -8.407 32.898 1.00 0.00 N ATOM 1296 CA PRO B 30 96.891 -8.631 33.882 1.00 0.00 C ATOM 1297 C PRO B 30 95.495 -8.691 33.235 1.00 0.00 C ATOM 1298 O PRO B 30 94.580 -9.284 33.774 1.00 0.00 O ATOM 1299 CB PRO B 30 97.000 -7.415 34.807 1.00 0.00 C ATOM 1300 CG PRO B 30 98.453 -7.046 34.802 1.00 0.00 C ATOM 1301 CD PRO B 30 99.021 -7.495 33.444 1.00 0.00 C ATOM 0 HA PRO B 30 96.996 -9.591 34.387 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.383 -6.591 34.448 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.658 -7.654 35.814 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.580 -5.972 34.938 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.979 -7.535 35.622 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.190 -6.645 32.783 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.979 -8.002 33.562 1.00 0.00 H new ATOM 1309 N VAL B 31 95.314 -8.065 32.104 1.00 0.00 N ATOM 1310 CA VAL B 31 93.966 -8.072 31.456 1.00 0.00 C ATOM 1311 C VAL B 31 93.522 -9.506 31.138 1.00 0.00 C ATOM 1312 O VAL B 31 92.422 -9.909 31.464 1.00 0.00 O ATOM 1313 CB VAL B 31 94.037 -7.265 30.151 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.750 -7.456 29.338 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.206 -5.781 30.483 1.00 0.00 C ATOM 0 H VAL B 31 96.036 -7.550 31.600 1.00 0.00 H new ATOM 0 HA VAL B 31 93.243 -7.628 32.141 1.00 0.00 H new ATOM 0 HB VAL B 31 94.885 -7.615 29.563 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.813 -6.879 28.416 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.625 -8.512 29.098 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.896 -7.113 29.923 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.257 -5.205 29.559 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.357 -5.442 31.076 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.125 -5.638 31.051 1.00 0.00 H new ATOM 1325 N VAL B 32 94.358 -10.275 30.500 1.00 0.00 N ATOM 1326 CA VAL B 32 93.965 -11.672 30.157 1.00 0.00 C ATOM 1327 C VAL B 32 94.025 -12.552 31.404 1.00 0.00 C ATOM 1328 O VAL B 32 93.190 -13.411 31.609 1.00 0.00 O ATOM 1329 CB VAL B 32 94.913 -12.225 29.096 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.496 -13.649 28.738 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.849 -11.343 27.850 1.00 0.00 C ATOM 0 H VAL B 32 95.294 -9.999 30.201 1.00 0.00 H new ATOM 0 HA VAL B 32 92.946 -11.670 29.770 1.00 0.00 H new ATOM 0 HB VAL B 32 95.932 -12.232 29.482 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.171 -14.046 27.980 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.541 -14.276 29.629 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.478 -13.643 28.349 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.525 -11.736 27.091 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.831 -11.337 27.461 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.145 -10.326 28.108 1.00 0.00 H new ATOM 1341 N ALA B 33 95.013 -12.357 32.232 1.00 0.00 N ATOM 1342 CA ALA B 33 95.131 -13.196 33.455 1.00 0.00 C ATOM 1343 C ALA B 33 93.879 -13.012 34.312 1.00 0.00 C ATOM 1344 O ALA B 33 93.226 -13.965 34.688 1.00 0.00 O ATOM 1345 CB ALA B 33 96.370 -12.759 34.241 1.00 0.00 C ATOM 0 H ALA B 33 95.742 -11.654 32.114 1.00 0.00 H new ATOM 0 HA ALA B 33 95.228 -14.247 33.182 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.465 -13.369 35.140 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.258 -12.886 33.621 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.271 -11.711 34.523 1.00 0.00 H new ATOM 1351 N LYS B 34 93.529 -11.795 34.604 1.00 0.00 N ATOM 1352 CA LYS B 34 92.305 -11.549 35.413 1.00 0.00 C ATOM 1353 C LYS B 34 91.090 -12.117 34.678 1.00 0.00 C ATOM 1354 O LYS B 34 90.198 -12.685 35.275 1.00 0.00 O ATOM 1355 CB LYS B 34 92.123 -10.046 35.626 1.00 0.00 C ATOM 1356 CG LYS B 34 93.204 -9.527 36.579 1.00 0.00 C ATOM 1357 CD LYS B 34 93.018 -8.022 36.791 1.00 0.00 C ATOM 1358 CE LYS B 34 94.077 -7.502 37.767 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.677 -7.856 39.160 1.00 0.00 N ATOM 0 H LYS B 34 94.037 -10.958 34.318 1.00 0.00 H new ATOM 0 HA LYS B 34 92.404 -12.038 36.382 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.184 -9.523 34.671 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.134 -9.844 36.037 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.144 -10.050 37.534 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.193 -9.728 36.168 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.099 -7.498 35.839 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.020 -7.821 37.181 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.049 -7.937 37.533 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.180 -6.421 37.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.348 -7.432 39.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.721 -7.493 39.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.683 -8.890 39.271 1.00 0.00 H new ATOM 1373 N GLU B 35 91.048 -11.955 33.386 1.00 0.00 N ATOM 1374 CA GLU B 35 89.886 -12.468 32.605 1.00 0.00 C ATOM 1375 C GLU B 35 89.766 -13.984 32.762 1.00 0.00 C ATOM 1376 O GLU B 35 88.680 -14.517 32.876 1.00 0.00 O ATOM 1377 CB GLU B 35 90.087 -12.141 31.125 1.00 0.00 C ATOM 1378 CG GLU B 35 88.827 -12.525 30.331 1.00 0.00 C ATOM 1379 CD GLU B 35 88.816 -14.035 30.056 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.888 -14.605 29.924 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.735 -14.596 29.986 1.00 0.00 O ATOM 0 H GLU B 35 91.769 -11.489 32.835 1.00 0.00 H new ATOM 0 HA GLU B 35 88.978 -11.995 32.978 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.295 -11.078 31.003 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.951 -12.681 30.738 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.935 -12.243 30.891 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.800 -11.976 29.390 1.00 0.00 H new ATOM 1388 N ILE B 36 90.861 -14.689 32.757 1.00 0.00 N ATOM 1389 CA ILE B 36 90.782 -16.170 32.894 1.00 0.00 C ATOM 1390 C ILE B 36 90.128 -16.508 34.239 1.00 0.00 C ATOM 1391 O ILE B 36 89.288 -17.382 34.329 1.00 0.00 O ATOM 1392 CB ILE B 36 92.194 -16.751 32.806 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.710 -16.593 31.371 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.172 -18.236 33.172 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.216 -16.862 31.329 1.00 0.00 C ATOM 0 H ILE B 36 91.802 -14.308 32.665 1.00 0.00 H new ATOM 0 HA ILE B 36 90.179 -16.602 32.096 1.00 0.00 H new ATOM 0 HB ILE B 36 92.847 -16.221 33.500 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.189 -17.285 30.709 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.501 -15.587 31.008 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.182 -18.642 33.107 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.798 -18.355 34.189 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.520 -18.771 32.481 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.578 -16.748 30.307 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.731 -16.152 31.977 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.414 -17.877 31.673 1.00 0.00 H new ATOM 1407 N VAL B 37 90.475 -15.794 35.276 1.00 0.00 N ATOM 1408 CA VAL B 37 89.842 -16.038 36.605 1.00 0.00 C ATOM 1409 C VAL B 37 88.374 -15.615 36.509 1.00 0.00 C ATOM 1410 O VAL B 37 87.491 -16.244 37.056 1.00 0.00 O ATOM 1411 CB VAL B 37 90.548 -15.193 37.669 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.024 -15.569 39.053 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.054 -15.451 37.613 1.00 0.00 C ATOM 0 H VAL B 37 91.172 -15.050 35.260 1.00 0.00 H new ATOM 0 HA VAL B 37 89.920 -17.090 36.879 1.00 0.00 H new ATOM 0 HB VAL B 37 90.351 -14.138 37.478 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.528 -14.966 39.809 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.951 -15.385 39.098 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.219 -16.625 39.241 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.555 -14.849 38.371 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.250 -16.507 37.801 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.433 -15.182 36.627 1.00 0.00 H new ATOM 1423 N ALA B 38 88.125 -14.538 35.812 1.00 0.00 N ATOM 1424 CA ALA B 38 86.731 -14.029 35.656 1.00 0.00 C ATOM 1425 C ALA B 38 85.847 -15.082 34.978 1.00 0.00 C ATOM 1426 O ALA B 38 84.637 -15.050 35.097 1.00 0.00 O ATOM 1427 CB ALA B 38 86.756 -12.765 34.797 1.00 0.00 C ATOM 0 H ALA B 38 88.837 -13.983 35.338 1.00 0.00 H new ATOM 0 HA ALA B 38 86.321 -13.809 36.642 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.741 -12.386 34.678 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.372 -12.007 35.282 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.173 -12.999 33.818 1.00 0.00 H new ATOM 1433 N SER B 39 86.428 -16.009 34.258 1.00 0.00 N ATOM 1434 CA SER B 39 85.596 -17.044 33.571 1.00 0.00 C ATOM 1435 C SER B 39 85.433 -18.254 34.489 1.00 0.00 C ATOM 1436 O SER B 39 84.408 -18.907 34.493 1.00 0.00 O ATOM 1437 CB SER B 39 86.287 -17.482 32.277 1.00 0.00 C ATOM 1438 OG SER B 39 86.540 -16.340 31.469 1.00 0.00 O ATOM 0 H SER B 39 87.435 -16.094 34.117 1.00 0.00 H new ATOM 0 HA SER B 39 84.617 -16.625 33.337 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.222 -17.994 32.506 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.659 -18.191 31.738 1.00 0.00 H new ATOM 0 HG SER B 39 87.478 -16.342 31.184 1.00 0.00 H new ATOM 1444 N CYS B 40 86.424 -18.549 35.283 1.00 0.00 N ATOM 1445 CA CYS B 40 86.302 -19.702 36.215 1.00 0.00 C ATOM 1446 C CYS B 40 85.114 -19.446 37.147 1.00 0.00 C ATOM 1447 O CYS B 40 84.978 -18.376 37.706 1.00 0.00 O ATOM 1448 CB CYS B 40 87.592 -19.840 37.028 1.00 0.00 C ATOM 1449 SG CYS B 40 87.724 -21.526 37.668 1.00 0.00 S ATOM 0 H CYS B 40 87.309 -18.044 35.326 1.00 0.00 H new ATOM 0 HA CYS B 40 86.141 -20.626 35.659 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.455 -19.608 36.403 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.594 -19.126 37.851 1.00 0.00 H new ATOM 0 HG CYS B 40 88.820 -21.644 38.356 1.00 0.00 H new ATOM 1454 N ASP B 41 84.248 -20.405 37.312 1.00 0.00 N ATOM 1455 CA ASP B 41 83.070 -20.188 38.200 1.00 0.00 C ATOM 1456 C ASP B 41 83.488 -20.320 39.666 1.00 0.00 C ATOM 1457 O ASP B 41 82.873 -19.754 40.548 1.00 0.00 O ATOM 1458 CB ASP B 41 81.993 -21.227 37.880 1.00 0.00 C ATOM 1459 CG ASP B 41 81.387 -20.927 36.506 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.522 -19.803 36.054 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.801 -21.828 35.929 1.00 0.00 O ATOM 0 H ASP B 41 84.302 -21.325 36.874 1.00 0.00 H new ATOM 0 HA ASP B 41 82.675 -19.186 38.031 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.424 -22.228 37.888 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.216 -21.208 38.644 1.00 0.00 H new ATOM 1466 N LYS B 42 84.520 -21.069 39.940 1.00 0.00 N ATOM 1467 CA LYS B 42 84.959 -21.238 41.355 1.00 0.00 C ATOM 1468 C LYS B 42 85.615 -19.948 41.855 1.00 0.00 C ATOM 1469 O LYS B 42 85.418 -19.539 42.982 1.00 0.00 O ATOM 1470 CB LYS B 42 85.973 -22.383 41.441 1.00 0.00 C ATOM 1471 CG LYS B 42 85.272 -23.718 41.186 1.00 0.00 C ATOM 1472 CD LYS B 42 86.294 -24.853 41.274 1.00 0.00 C ATOM 1473 CE LYS B 42 85.598 -26.191 41.021 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.610 -27.285 41.013 1.00 0.00 N ATOM 0 H LYS B 42 85.077 -21.570 39.248 1.00 0.00 H new ATOM 0 HA LYS B 42 84.090 -21.465 41.973 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.767 -22.233 40.709 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.443 -22.391 42.424 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.479 -23.870 41.918 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.802 -23.713 40.203 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.087 -24.700 40.542 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.765 -24.857 42.257 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.852 -26.377 41.794 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.069 -26.163 40.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.136 -28.195 40.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.306 -27.109 40.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.095 -27.316 41.932 1.00 0.00 H new ATOM 1488 N CYS B 43 86.398 -19.307 41.030 1.00 0.00 N ATOM 1489 CA CYS B 43 87.070 -18.048 41.463 1.00 0.00 C ATOM 1490 C CYS B 43 86.100 -16.873 41.342 1.00 0.00 C ATOM 1491 O CYS B 43 86.399 -15.766 41.745 1.00 0.00 O ATOM 1492 CB CYS B 43 88.297 -17.787 40.596 1.00 0.00 C ATOM 1493 SG CYS B 43 89.423 -19.203 40.706 1.00 0.00 S ATOM 0 H CYS B 43 86.602 -19.601 40.075 1.00 0.00 H new ATOM 0 HA CYS B 43 87.381 -18.154 42.502 1.00 0.00 H new ATOM 0 HB2 CYS B 43 87.997 -17.626 39.561 1.00 0.00 H new ATOM 0 HB3 CYS B 43 88.803 -16.879 40.926 1.00 0.00 H new ATOM 0 HG CYS B 43 90.469 -18.984 39.966 1.00 0.00 H new ATOM 1498 N GLN B 44 84.944 -17.100 40.781 1.00 0.00 N ATOM 1499 CA GLN B 44 83.963 -15.990 40.623 1.00 0.00 C ATOM 1500 C GLN B 44 83.244 -15.742 41.951 1.00 0.00 C ATOM 1501 O GLN B 44 83.444 -14.734 42.601 1.00 0.00 O ATOM 1502 CB GLN B 44 82.928 -16.388 39.565 1.00 0.00 C ATOM 1503 CG GLN B 44 82.091 -15.167 39.170 1.00 0.00 C ATOM 1504 CD GLN B 44 82.908 -14.275 38.229 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.817 -12.979 38.334 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.632 -14.767 37.386 1.00 0.00 N flip ATOM 0 H GLN B 44 84.637 -18.005 40.426 1.00 0.00 H new ATOM 0 HA GLN B 44 84.486 -15.084 40.318 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.430 -16.795 38.687 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.280 -17.173 39.955 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.171 -15.486 38.680 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.801 -14.607 40.059 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.703 -15.781 37.304 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.168 -14.166 36.761 1.00 0.00 H new ATOM 1515 N LEU B 45 82.406 -16.653 42.358 1.00 0.00 N ATOM 1516 CA LEU B 45 81.664 -16.480 43.641 1.00 0.00 C ATOM 1517 C LEU B 45 82.492 -17.050 44.792 1.00 0.00 C ATOM 1518 O LEU B 45 83.073 -18.111 44.683 1.00 0.00 O ATOM 1519 CB LEU B 45 80.339 -17.239 43.560 1.00 0.00 C ATOM 1520 CG LEU B 45 79.520 -16.729 42.370 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.206 -17.513 42.297 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.219 -15.227 42.538 1.00 0.00 C ATOM 0 H LEU B 45 82.201 -17.516 41.855 1.00 0.00 H new ATOM 0 HA LEU B 45 81.478 -15.420 43.813 1.00 0.00 H new ATOM 0 HB2 LEU B 45 80.527 -18.307 43.452 1.00 0.00 H new ATOM 0 HB3 LEU B 45 79.776 -17.106 44.484 1.00 0.00 H new ATOM 0 HG LEU B 45 80.089 -16.872 41.451 1.00 0.00 H new ATOM 0 HD11 LEU B 45 77.616 -17.157 41.453 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.422 -18.574 42.167 1.00 0.00 H new ATOM 0 HD13 LEU B 45 77.644 -17.367 43.219 1.00 0.00 H new ATOM 0 HD21 LEU B 45 78.636 -14.875 41.687 1.00 0.00 H new ATOM 0 HD22 LEU B 45 78.652 -15.070 43.455 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.156 -14.672 42.591 1.00 0.00 H new