USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 76:sc= 1.24 USER MOD Set 1.2: A 40 HIS : no HE2:sc= -0.245 K(o=0.99,f=-8.4!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= -0.0786 (180deg=-0.27) USER MOD Single : A 2 SER OG : rot -87:sc= 0.166 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 10 TYR OH : rot -161:sc= 1.23 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-8.8!) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -0.0317 (180deg=-0.241) USER MOD Single : A 26 GLN :FLIP amide:sc= -7.24! C(o=-11!,f=-7.2!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.9!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -0.281 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc=-0.00937 (180deg=-0.187) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 51:sc= 0.2 USER MOD Single : A 50 ASN :FLIP amide:sc= -4.23! C(o=-10!,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.5! C(o=-9.4!,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -11:sc= 0.823 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc=-0.00613 (180deg=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc=-0.00524 (180deg=-0.0932) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.068) USER MOD Single : A 70 MET CE :methyl -159:sc= -0.167 (180deg=-0.806) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.985 6.566 4.702 1.00 0.00 N ATOM 2 CA ALA A 1 15.669 7.207 4.467 1.00 0.00 C ATOM 3 C ALA A 1 14.536 6.201 4.650 1.00 0.00 C ATOM 4 O ALA A 1 13.423 6.411 4.169 1.00 0.00 O ATOM 5 CB ALA A 1 15.623 7.806 3.070 1.00 0.00 C ATOM 0 H1 ALA A 1 17.744 7.208 4.394 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.095 6.361 5.716 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.041 5.679 4.161 1.00 0.00 H new ATOM 0 HA ALA A 1 15.538 8.004 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.652 8.275 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.409 8.555 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.775 7.019 2.331 1.00 0.00 H new ATOM 13 N SER A 2 14.811 5.118 5.370 1.00 0.00 N ATOM 14 CA SER A 2 13.839 4.052 5.538 1.00 0.00 C ATOM 15 C SER A 2 12.762 4.444 6.547 1.00 0.00 C ATOM 16 O SER A 2 12.912 4.251 7.755 1.00 0.00 O ATOM 17 CB SER A 2 14.547 2.762 5.957 1.00 0.00 C ATOM 18 OG SER A 2 15.570 2.426 5.026 1.00 0.00 O ATOM 0 H SER A 2 15.700 4.959 5.845 1.00 0.00 H new ATOM 0 HA SER A 2 13.342 3.880 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.978 2.884 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.824 1.948 6.021 1.00 0.00 H new ATOM 0 HG SER A 2 15.187 1.894 4.297 1.00 0.00 H new ATOM 24 N ASN A 3 11.690 5.033 6.034 1.00 0.00 N ATOM 25 CA ASN A 3 10.564 5.448 6.862 1.00 0.00 C ATOM 26 C ASN A 3 9.811 4.231 7.398 1.00 0.00 C ATOM 27 O ASN A 3 9.430 4.185 8.568 1.00 0.00 O ATOM 28 CB ASN A 3 9.621 6.341 6.047 1.00 0.00 C ATOM 29 CG ASN A 3 8.455 6.873 6.869 1.00 0.00 C ATOM 30 OD1 ASN A 3 8.564 7.052 8.082 1.00 0.00 O ATOM 31 ND2 ASN A 3 7.338 7.148 6.210 1.00 0.00 N ATOM 0 H ASN A 3 11.576 5.236 5.041 1.00 0.00 H new ATOM 0 HA ASN A 3 10.945 6.014 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.185 7.180 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.234 5.775 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.530 7.522 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.286 6.986 5.204 1.00 0.00 H new ATOM 38 N PHE A 4 9.624 3.239 6.543 1.00 0.00 N ATOM 39 CA PHE A 4 8.895 2.033 6.910 1.00 0.00 C ATOM 40 C PHE A 4 9.767 0.797 6.745 1.00 0.00 C ATOM 41 O PHE A 4 10.939 0.898 6.380 1.00 0.00 O ATOM 42 CB PHE A 4 7.650 1.886 6.033 1.00 0.00 C ATOM 43 CG PHE A 4 7.969 1.811 4.566 1.00 0.00 C ATOM 44 CD1 PHE A 4 8.432 0.632 4.003 1.00 0.00 C ATOM 45 CD2 PHE A 4 7.821 2.921 3.754 1.00 0.00 C ATOM 46 CE1 PHE A 4 8.737 0.559 2.664 1.00 0.00 C ATOM 47 CE2 PHE A 4 8.126 2.852 2.410 1.00 0.00 C ATOM 48 CZ PHE A 4 8.584 1.669 1.867 1.00 0.00 C ATOM 0 H PHE A 4 9.969 3.245 5.583 1.00 0.00 H new ATOM 0 HA PHE A 4 8.604 2.123 7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.109 0.987 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.985 2.731 6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.555 -0.242 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.464 3.849 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.096 -0.367 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.006 3.723 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.823 1.615 0.815 1.00 0.00 H new ATOM 58 N ASP A 5 9.170 -0.359 6.988 1.00 0.00 N ATOM 59 CA ASP A 5 9.840 -1.632 6.792 1.00 0.00 C ATOM 60 C ASP A 5 8.872 -2.653 6.194 1.00 0.00 C ATOM 61 O ASP A 5 7.970 -3.153 6.870 1.00 0.00 O ATOM 62 CB ASP A 5 10.438 -2.100 8.118 1.00 0.00 C ATOM 63 CG ASP A 5 10.944 -3.530 8.104 1.00 0.00 C ATOM 64 OD1 ASP A 5 12.120 -3.743 7.743 1.00 0.00 O ATOM 65 OD2 ASP A 5 10.182 -4.440 8.498 1.00 0.00 O ATOM 0 H ASP A 5 8.211 -0.440 7.325 1.00 0.00 H new ATOM 0 HA ASP A 5 10.658 -1.519 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.262 -1.438 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.683 -2.001 8.898 1.00 0.00 H new ATOM 70 N CYS A 6 9.041 -2.884 4.894 1.00 0.00 N ATOM 71 CA CYS A 6 8.241 -3.805 4.108 1.00 0.00 C ATOM 72 C CYS A 6 8.112 -5.182 4.755 1.00 0.00 C ATOM 73 O CYS A 6 9.026 -5.655 5.429 1.00 0.00 O ATOM 74 CB CYS A 6 8.878 -3.943 2.722 1.00 0.00 C ATOM 75 SG CYS A 6 10.505 -4.765 2.714 1.00 0.00 S ATOM 0 H CYS A 6 9.764 -2.417 4.346 1.00 0.00 H new ATOM 0 HA CYS A 6 7.233 -3.397 4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.199 -4.503 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.985 -2.950 2.285 1.00 0.00 H new ATOM 80 N CYS A 7 6.961 -5.812 4.545 1.00 0.00 N ATOM 81 CA CYS A 7 6.737 -7.175 5.007 1.00 0.00 C ATOM 82 C CYS A 7 7.744 -8.114 4.371 1.00 0.00 C ATOM 83 O CYS A 7 7.909 -8.107 3.157 1.00 0.00 O ATOM 84 CB CYS A 7 5.338 -7.652 4.627 1.00 0.00 C ATOM 85 SG CYS A 7 3.979 -6.583 5.186 1.00 0.00 S ATOM 0 H CYS A 7 6.167 -5.398 4.056 1.00 0.00 H new ATOM 0 HA CYS A 7 6.846 -7.180 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.285 -7.743 3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.187 -8.650 5.039 1.00 0.00 H new ATOM 90 N LEU A 8 8.398 -8.933 5.179 1.00 0.00 N ATOM 91 CA LEU A 8 9.338 -9.911 4.652 1.00 0.00 C ATOM 92 C LEU A 8 8.596 -11.173 4.222 1.00 0.00 C ATOM 93 O LEU A 8 9.198 -12.138 3.754 1.00 0.00 O ATOM 94 CB LEU A 8 10.418 -10.236 5.685 1.00 0.00 C ATOM 95 CG LEU A 8 11.294 -9.046 6.095 1.00 0.00 C ATOM 96 CD1 LEU A 8 12.368 -9.488 7.073 1.00 0.00 C ATOM 97 CD2 LEU A 8 11.921 -8.387 4.869 1.00 0.00 C ATOM 0 H LEU A 8 8.297 -8.941 6.194 1.00 0.00 H new ATOM 0 HA LEU A 8 9.831 -9.486 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.938 -10.640 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.060 -11.021 5.284 1.00 0.00 H new ATOM 0 HG LEU A 8 10.660 -8.310 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.980 -8.631 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.899 -9.906 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.997 -10.245 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.538 -7.545 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.540 -9.113 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.134 -8.031 4.205 1.00 0.00 H new ATOM 109 N GLY A 9 7.282 -11.147 4.398 1.00 0.00 N ATOM 110 CA GLY A 9 6.436 -12.216 3.921 1.00 0.00 C ATOM 111 C GLY A 9 5.115 -11.677 3.415 1.00 0.00 C ATOM 112 O GLY A 9 4.519 -10.802 4.040 1.00 0.00 O ATOM 0 H GLY A 9 6.784 -10.392 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.943 -12.756 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.258 -12.930 4.725 1.00 0.00 H new ATOM 116 N TYR A 10 4.663 -12.179 2.279 1.00 0.00 N ATOM 117 CA TYR A 10 3.408 -11.725 1.695 1.00 0.00 C ATOM 118 C TYR A 10 2.276 -12.681 2.067 1.00 0.00 C ATOM 119 O TYR A 10 2.503 -13.709 2.713 1.00 0.00 O ATOM 120 CB TYR A 10 3.509 -11.638 0.171 1.00 0.00 C ATOM 121 CG TYR A 10 4.572 -10.708 -0.379 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.914 -11.053 -0.320 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.228 -9.507 -1.001 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.885 -10.234 -0.855 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.196 -8.683 -1.530 1.00 0.00 C ATOM 126 CZ TYR A 10 6.522 -9.051 -1.457 1.00 0.00 C ATOM 127 OH TYR A 10 7.482 -8.240 -2.005 1.00 0.00 O ATOM 0 H TYR A 10 5.144 -12.900 1.741 1.00 0.00 H new ATOM 0 HA TYR A 10 3.198 -10.732 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.696 -12.639 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.542 -11.321 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.203 -11.980 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.189 -9.220 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.925 -10.519 -0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.917 -7.752 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 10 7.124 -7.334 -2.109 1.00 0.00 H new ATOM 137 N THR A 11 1.063 -12.342 1.653 1.00 0.00 N ATOM 138 CA THR A 11 -0.100 -13.174 1.923 1.00 0.00 C ATOM 139 C THR A 11 -0.660 -13.774 0.627 1.00 0.00 C ATOM 140 O THR A 11 -0.751 -13.101 -0.399 1.00 0.00 O ATOM 141 CB THR A 11 -1.192 -12.355 2.651 1.00 0.00 C ATOM 142 OG1 THR A 11 -2.090 -13.227 3.343 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.982 -11.484 1.683 1.00 0.00 C ATOM 0 H THR A 11 0.859 -11.493 1.127 1.00 0.00 H new ATOM 0 HA THR A 11 0.214 -13.994 2.569 1.00 0.00 H new ATOM 0 HB THR A 11 -0.687 -11.704 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.775 -12.696 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.739 -10.924 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.306 -10.788 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.466 -12.115 0.938 1.00 0.00 H new ATOM 151 N ASP A 12 -1.032 -15.043 0.673 1.00 0.00 N ATOM 152 CA ASP A 12 -1.552 -15.722 -0.507 1.00 0.00 C ATOM 153 C ASP A 12 -3.046 -15.946 -0.342 1.00 0.00 C ATOM 154 O ASP A 12 -3.509 -17.064 -0.125 1.00 0.00 O ATOM 155 CB ASP A 12 -0.822 -17.054 -0.742 1.00 0.00 C ATOM 156 CG ASP A 12 -1.244 -17.743 -2.027 1.00 0.00 C ATOM 157 OD1 ASP A 12 -1.191 -17.103 -3.095 1.00 0.00 O ATOM 158 OD2 ASP A 12 -1.598 -18.940 -1.977 1.00 0.00 O ATOM 0 H ASP A 12 -0.985 -15.623 1.510 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.379 -15.095 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.253 -16.873 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.012 -17.720 0.100 1.00 0.00 H new ATOM 163 N ARG A 13 -3.789 -14.853 -0.374 1.00 0.00 N ATOM 164 CA ARG A 13 -5.236 -14.894 -0.177 1.00 0.00 C ATOM 165 C ARG A 13 -5.970 -14.154 -1.278 1.00 0.00 C ATOM 166 O ARG A 13 -5.373 -13.706 -2.248 1.00 0.00 O ATOM 167 CB ARG A 13 -5.618 -14.218 1.137 1.00 0.00 C ATOM 168 CG ARG A 13 -5.025 -14.858 2.390 1.00 0.00 C ATOM 169 CD ARG A 13 -5.695 -16.187 2.724 1.00 0.00 C ATOM 170 NE ARG A 13 -5.362 -17.249 1.769 1.00 0.00 N ATOM 171 CZ ARG A 13 -5.996 -18.420 1.696 1.00 0.00 C ATOM 172 NH1 ARG A 13 -7.003 -18.689 2.518 1.00 0.00 N ATOM 173 NH2 ARG A 13 -5.611 -19.326 0.804 1.00 0.00 N ATOM 0 H ARG A 13 -3.415 -13.918 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.517 -15.947 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.303 -13.175 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.704 -14.220 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.956 -15.017 2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.134 -14.175 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.395 -16.498 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.776 -16.049 2.744 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.595 -17.081 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.295 -17.999 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.485 -19.586 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.832 -19.125 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.094 -20.222 0.746 1.00 0.00 H new ATOM 187 N ILE A 14 -7.278 -14.032 -1.084 1.00 0.00 N ATOM 188 CA ILE A 14 -8.112 -13.118 -1.846 1.00 0.00 C ATOM 189 C ILE A 14 -8.856 -12.213 -0.859 1.00 0.00 C ATOM 190 O ILE A 14 -9.928 -12.560 -0.365 1.00 0.00 O ATOM 191 CB ILE A 14 -9.137 -13.871 -2.739 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.442 -14.661 -3.855 1.00 0.00 C ATOM 193 CG2 ILE A 14 -10.157 -12.901 -3.337 1.00 0.00 C ATOM 194 CD1 ILE A 14 -8.212 -13.851 -5.110 1.00 0.00 C ATOM 0 H ILE A 14 -7.791 -14.571 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.474 -12.534 -2.509 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.661 -14.581 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.484 -15.028 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.045 -15.535 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.863 -13.453 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.696 -12.398 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.640 -12.160 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.717 -14.471 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.169 -13.506 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.584 -12.991 -4.878 1.00 0.00 H new ATOM 206 N LEU A 15 -8.253 -11.084 -0.509 1.00 0.00 N ATOM 207 CA LEU A 15 -8.899 -10.128 0.382 1.00 0.00 C ATOM 208 C LEU A 15 -9.717 -9.156 -0.445 1.00 0.00 C ATOM 209 O LEU A 15 -9.549 -9.072 -1.655 1.00 0.00 O ATOM 210 CB LEU A 15 -7.876 -9.371 1.240 1.00 0.00 C ATOM 211 CG LEU A 15 -7.175 -10.188 2.333 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.160 -11.088 3.066 1.00 0.00 C ATOM 213 CD2 LEU A 15 -6.034 -10.999 1.748 1.00 0.00 C ATOM 0 H LEU A 15 -7.323 -10.809 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.550 -10.675 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.114 -8.957 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.381 -8.528 1.712 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.760 -9.489 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.633 -11.654 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.934 -10.477 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.619 -11.778 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.551 -11.571 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.423 -11.682 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.308 -10.328 1.290 1.00 0.00 H new ATOM 225 N HIS A 16 -10.631 -8.449 0.176 1.00 0.00 N ATOM 226 CA HIS A 16 -11.546 -7.616 -0.586 1.00 0.00 C ATOM 227 C HIS A 16 -11.651 -6.223 -0.015 1.00 0.00 C ATOM 228 O HIS A 16 -11.259 -5.982 1.125 1.00 0.00 O ATOM 229 CB HIS A 16 -12.939 -8.224 -0.583 1.00 0.00 C ATOM 230 CG HIS A 16 -13.039 -9.568 -1.202 1.00 0.00 C ATOM 231 ND1 HIS A 16 -14.170 -10.322 -1.097 1.00 0.00 N ATOM 232 CD2 HIS A 16 -12.165 -10.294 -1.940 1.00 0.00 C ATOM 233 CE1 HIS A 16 -14.006 -11.443 -1.736 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.797 -11.465 -2.261 1.00 0.00 N ATOM 0 H HIS A 16 -10.765 -8.429 1.187 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.147 -7.560 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.288 -8.289 0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.615 -7.548 -1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.163 -10.005 -2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.742 -12.229 -1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.400 -12.225 -2.813 1.00 0.00 H new ATOM 243 N PRO A 17 -12.244 -5.294 -0.786 1.00 0.00 N ATOM 244 CA PRO A 17 -12.667 -4.000 -0.258 1.00 0.00 C ATOM 245 C PRO A 17 -13.639 -4.224 0.896 1.00 0.00 C ATOM 246 O PRO A 17 -13.735 -3.421 1.822 1.00 0.00 O ATOM 247 CB PRO A 17 -13.361 -3.314 -1.444 1.00 0.00 C ATOM 248 CG PRO A 17 -13.619 -4.398 -2.438 1.00 0.00 C ATOM 249 CD PRO A 17 -12.542 -5.425 -2.223 1.00 0.00 C ATOM 0 HA PRO A 17 -11.846 -3.397 0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.291 -2.838 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.730 -2.534 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.608 -4.833 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.589 -4.009 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.885 -6.429 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.664 -5.225 -2.837 1.00 0.00 H new ATOM 257 N LYS A 18 -14.322 -5.377 0.818 1.00 0.00 N ATOM 258 CA LYS A 18 -15.179 -5.901 1.883 1.00 0.00 C ATOM 259 C LYS A 18 -14.500 -5.792 3.250 1.00 0.00 C ATOM 260 O LYS A 18 -15.155 -5.533 4.261 1.00 0.00 O ATOM 261 CB LYS A 18 -15.492 -7.387 1.603 1.00 0.00 C ATOM 262 CG LYS A 18 -16.360 -7.649 0.382 1.00 0.00 C ATOM 263 CD LYS A 18 -16.829 -9.097 0.352 1.00 0.00 C ATOM 264 CE LYS A 18 -17.759 -9.381 -0.817 1.00 0.00 C ATOM 265 NZ LYS A 18 -18.981 -8.539 -0.773 1.00 0.00 N ATOM 0 H LYS A 18 -14.291 -5.979 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.095 -5.310 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.551 -7.923 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.987 -7.808 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.223 -6.983 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.797 -7.426 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.963 -9.756 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.342 -9.329 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.230 -9.203 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.043 -10.433 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.688 -8.918 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.371 -8.544 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.741 -7.564 -1.044 1.00 0.00 H new ATOM 279 N PHE A 19 -13.183 -5.979 3.265 1.00 0.00 N ATOM 280 CA PHE A 19 -12.432 -6.058 4.510 1.00 0.00 C ATOM 281 C PHE A 19 -11.419 -4.923 4.637 1.00 0.00 C ATOM 282 O PHE A 19 -10.888 -4.684 5.717 1.00 0.00 O ATOM 283 CB PHE A 19 -11.696 -7.398 4.579 1.00 0.00 C ATOM 284 CG PHE A 19 -12.599 -8.589 4.415 1.00 0.00 C ATOM 285 CD1 PHE A 19 -13.284 -9.103 5.502 1.00 0.00 C ATOM 286 CD2 PHE A 19 -12.766 -9.191 3.176 1.00 0.00 C ATOM 287 CE1 PHE A 19 -14.119 -10.193 5.360 1.00 0.00 C ATOM 288 CE2 PHE A 19 -13.601 -10.282 3.027 1.00 0.00 C ATOM 289 CZ PHE A 19 -14.278 -10.785 4.123 1.00 0.00 C ATOM 0 H PHE A 19 -12.614 -6.079 2.424 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.143 -5.970 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.931 -7.423 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.181 -7.472 5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.164 -8.646 6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.237 -8.802 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.648 -10.583 6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.725 -10.741 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.930 -11.639 4.011 1.00 0.00 H new ATOM 299 N ILE A 20 -11.159 -4.220 3.549 1.00 0.00 N ATOM 300 CA ILE A 20 -10.088 -3.229 3.523 1.00 0.00 C ATOM 301 C ILE A 20 -10.608 -1.840 3.884 1.00 0.00 C ATOM 302 O ILE A 20 -11.582 -1.363 3.305 1.00 0.00 O ATOM 303 CB ILE A 20 -9.405 -3.206 2.134 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.542 -4.457 1.957 1.00 0.00 C ATOM 305 CG2 ILE A 20 -8.560 -1.952 1.947 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.376 -4.878 0.520 1.00 0.00 C ATOM 0 H ILE A 20 -11.671 -4.314 2.672 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.350 -3.515 4.272 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.186 -3.195 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.558 -4.273 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.988 -5.278 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.096 -1.970 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.194 -1.070 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.785 -1.918 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.753 -5.771 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.354 -5.094 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.901 -4.074 -0.042 1.00 0.00 H new ATOM 318 N VAL A 21 -9.962 -1.208 4.861 1.00 0.00 N ATOM 319 CA VAL A 21 -10.331 0.139 5.282 1.00 0.00 C ATOM 320 C VAL A 21 -9.146 1.096 5.156 1.00 0.00 C ATOM 321 O VAL A 21 -9.287 2.312 5.317 1.00 0.00 O ATOM 322 CB VAL A 21 -10.869 0.159 6.733 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.211 -0.546 6.809 1.00 0.00 C ATOM 324 CG2 VAL A 21 -9.883 -0.489 7.693 1.00 0.00 C ATOM 0 H VAL A 21 -9.179 -1.609 5.376 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.129 0.472 4.618 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.998 1.200 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.576 -0.524 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.925 -0.040 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.097 -1.581 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.288 -0.460 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.716 -1.525 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.938 0.053 7.665 1.00 0.00 H new ATOM 334 N GLY A 22 -7.984 0.534 4.853 1.00 0.00 N ATOM 335 CA GLY A 22 -6.783 1.324 4.672 1.00 0.00 C ATOM 336 C GLY A 22 -5.821 0.640 3.723 1.00 0.00 C ATOM 337 O GLY A 22 -5.947 -0.557 3.476 1.00 0.00 O ATOM 0 H GLY A 22 -7.852 -0.470 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.046 2.308 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.298 1.482 5.636 1.00 0.00 H new ATOM 341 N PHE A 23 -4.859 1.377 3.200 1.00 0.00 N ATOM 342 CA PHE A 23 -3.948 0.844 2.209 1.00 0.00 C ATOM 343 C PHE A 23 -2.640 1.633 2.191 1.00 0.00 C ATOM 344 O PHE A 23 -2.639 2.863 2.225 1.00 0.00 O ATOM 345 CB PHE A 23 -4.656 0.882 0.875 1.00 0.00 C ATOM 346 CG PHE A 23 -3.750 1.019 -0.275 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.114 -0.081 -0.799 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.540 2.255 -0.826 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.274 0.053 -1.869 1.00 0.00 C ATOM 350 CE2 PHE A 23 -2.703 2.402 -1.899 1.00 0.00 C ATOM 351 CZ PHE A 23 -2.070 1.292 -2.420 1.00 0.00 C ATOM 0 H PHE A 23 -4.689 2.352 3.448 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.675 -0.184 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.240 -0.031 0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.360 1.714 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.279 -1.055 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.038 3.119 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.774 -0.812 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.540 3.377 -2.334 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.409 1.400 -3.268 1.00 0.00 H new ATOM 361 N THR A 24 -1.537 0.904 2.163 1.00 0.00 N ATOM 362 CA THR A 24 -0.213 1.499 2.129 1.00 0.00 C ATOM 363 C THR A 24 0.694 0.707 1.193 1.00 0.00 C ATOM 364 O THR A 24 1.086 -0.416 1.504 1.00 0.00 O ATOM 365 CB THR A 24 0.422 1.536 3.533 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.430 2.255 4.431 1.00 0.00 O ATOM 367 CG2 THR A 24 1.793 2.194 3.495 1.00 0.00 C ATOM 0 H THR A 24 -1.535 -0.116 2.163 1.00 0.00 H new ATOM 0 HA THR A 24 -0.320 2.521 1.767 1.00 0.00 H new ATOM 0 HB THR A 24 0.541 0.510 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.194 1.693 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.218 2.207 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.448 1.631 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.696 3.216 3.129 1.00 0.00 H new ATOM 375 N ARG A 25 1.006 1.274 0.041 1.00 0.00 N ATOM 376 CA ARG A 25 1.892 0.605 -0.903 1.00 0.00 C ATOM 377 C ARG A 25 3.347 0.932 -0.563 1.00 0.00 C ATOM 378 O ARG A 25 3.824 2.032 -0.823 1.00 0.00 O ATOM 379 CB ARG A 25 1.563 1.003 -2.358 1.00 0.00 C ATOM 380 CG ARG A 25 1.700 2.492 -2.656 1.00 0.00 C ATOM 381 CD ARG A 25 1.602 2.778 -4.147 1.00 0.00 C ATOM 382 NE ARG A 25 0.235 2.637 -4.649 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.089 2.654 -5.941 1.00 0.00 C ATOM 384 NH1 ARG A 25 0.858 2.696 -6.871 1.00 0.00 N ATOM 385 NH2 ARG A 25 -1.363 2.602 -6.310 1.00 0.00 N ATOM 0 H ARG A 25 0.665 2.186 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 25 1.741 -0.471 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.220 0.450 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.543 0.693 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.921 3.042 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.657 2.852 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.957 3.789 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.258 2.097 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.515 2.518 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.841 2.715 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.603 2.709 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.097 2.549 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.608 2.615 -7.300 1.00 0.00 H new ATOM 399 N GLN A 26 4.041 -0.007 0.063 1.00 0.00 N ATOM 400 CA GLN A 26 5.437 0.206 0.403 1.00 0.00 C ATOM 401 C GLN A 26 6.319 -0.344 -0.704 1.00 0.00 C ATOM 402 O GLN A 26 6.077 -1.439 -1.215 1.00 0.00 O ATOM 403 CB GLN A 26 5.780 -0.422 1.756 1.00 0.00 C ATOM 404 CG GLN A 26 5.662 -1.922 1.828 1.00 0.00 C ATOM 405 CD GLN A 26 5.586 -2.409 3.255 1.00 0.00 C ATOM 406 OE1 GLN A 26 4.968 -3.557 3.465 1.00 0.00 O flip ATOM 407 NE2 GLN A 26 6.097 -1.763 4.164 1.00 0.00 N flip ATOM 0 H GLN A 26 3.665 -0.913 0.342 1.00 0.00 H new ATOM 0 HA GLN A 26 5.619 1.277 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.801 -0.143 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.127 0.012 2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.773 -2.243 1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.519 -2.379 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.566 -0.880 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.053 -2.109 5.123 1.00 0.00 H new ATOM 416 N LEU A 27 7.333 0.419 -1.074 1.00 0.00 N ATOM 417 CA LEU A 27 8.127 0.107 -2.253 1.00 0.00 C ATOM 418 C LEU A 27 9.591 -0.125 -1.906 1.00 0.00 C ATOM 419 O LEU A 27 10.063 0.262 -0.834 1.00 0.00 O ATOM 420 CB LEU A 27 8.008 1.236 -3.281 1.00 0.00 C ATOM 421 CG LEU A 27 6.585 1.534 -3.764 1.00 0.00 C ATOM 422 CD1 LEU A 27 6.590 2.688 -4.753 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.957 0.296 -4.390 1.00 0.00 C ATOM 0 H LEU A 27 7.627 1.259 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 27 7.736 -0.818 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.425 2.145 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.622 0.984 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 27 5.984 1.821 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.571 2.886 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.994 3.578 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.208 2.428 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.947 0.531 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.557 -0.025 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.917 -0.505 -3.651 1.00 0.00 H new ATOM 435 N ALA A 28 10.305 -0.736 -2.847 1.00 0.00 N ATOM 436 CA ALA A 28 11.721 -1.038 -2.703 1.00 0.00 C ATOM 437 C ALA A 28 12.572 0.169 -3.072 1.00 0.00 C ATOM 438 O ALA A 28 13.662 0.037 -3.629 1.00 0.00 O ATOM 439 CB ALA A 28 12.073 -2.213 -3.597 1.00 0.00 C ATOM 0 H ALA A 28 9.911 -1.037 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 28 11.925 -1.291 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.133 -2.444 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.482 -3.081 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.857 -1.958 -4.635 1.00 0.00 H new ATOM 445 N ASN A 29 12.062 1.347 -2.754 1.00 0.00 N ATOM 446 CA ASN A 29 12.731 2.597 -3.090 1.00 0.00 C ATOM 447 C ASN A 29 12.764 3.520 -1.885 1.00 0.00 C ATOM 448 O ASN A 29 13.825 4.001 -1.481 1.00 0.00 O ATOM 449 CB ASN A 29 12.012 3.307 -4.247 1.00 0.00 C ATOM 450 CG ASN A 29 12.225 2.632 -5.589 1.00 0.00 C ATOM 451 OD1 ASN A 29 13.170 2.946 -6.309 1.00 0.00 O ATOM 452 ND2 ASN A 29 11.335 1.718 -5.945 1.00 0.00 N ATOM 0 H ASN A 29 11.178 1.466 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 29 13.750 2.358 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.944 3.346 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.363 4.337 -4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.420 1.247 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.564 1.485 -5.319 1.00 0.00 H new ATOM 459 N GLU A 30 11.590 3.736 -1.309 1.00 0.00 N ATOM 460 CA GLU A 30 11.409 4.690 -0.225 1.00 0.00 C ATOM 461 C GLU A 30 12.248 4.326 0.996 1.00 0.00 C ATOM 462 O GLU A 30 12.875 5.188 1.605 1.00 0.00 O ATOM 463 CB GLU A 30 9.933 4.738 0.155 1.00 0.00 C ATOM 464 CG GLU A 30 9.011 4.996 -1.024 1.00 0.00 C ATOM 465 CD GLU A 30 7.570 4.690 -0.694 1.00 0.00 C ATOM 466 OE1 GLU A 30 7.227 3.497 -0.584 1.00 0.00 O ATOM 467 OE2 GLU A 30 6.779 5.642 -0.539 1.00 0.00 O ATOM 0 H GLU A 30 10.734 3.253 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 30 11.742 5.669 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.656 3.793 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.783 5.519 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.099 6.038 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.326 4.386 -1.871 1.00 0.00 H new ATOM 474 N GLY A 31 12.267 3.046 1.345 1.00 0.00 N ATOM 475 CA GLY A 31 12.986 2.630 2.532 1.00 0.00 C ATOM 476 C GLY A 31 13.382 1.172 2.510 1.00 0.00 C ATOM 477 O GLY A 31 14.566 0.846 2.511 1.00 0.00 O ATOM 0 H GLY A 31 11.803 2.296 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.882 3.241 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.366 2.818 3.409 1.00 0.00 H new ATOM 481 N CYS A 32 12.395 0.293 2.524 1.00 0.00 N ATOM 482 CA CYS A 32 12.651 -1.136 2.536 1.00 0.00 C ATOM 483 C CYS A 32 13.188 -1.641 1.201 1.00 0.00 C ATOM 484 O CYS A 32 13.172 -0.933 0.195 1.00 0.00 O ATOM 485 CB CYS A 32 11.388 -1.877 2.909 1.00 0.00 C ATOM 486 SG CYS A 32 11.711 -3.482 3.704 1.00 0.00 S ATOM 0 H CYS A 32 11.407 0.545 2.527 1.00 0.00 H new ATOM 0 HA CYS A 32 13.423 -1.326 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.796 -1.257 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.789 -2.036 2.012 1.00 0.00 H new ATOM 491 N ASP A 33 13.649 -2.883 1.210 1.00 0.00 N ATOM 492 CA ASP A 33 14.324 -3.474 0.063 1.00 0.00 C ATOM 493 C ASP A 33 13.342 -4.169 -0.870 1.00 0.00 C ATOM 494 O ASP A 33 13.607 -4.323 -2.061 1.00 0.00 O ATOM 495 CB ASP A 33 15.388 -4.460 0.560 1.00 0.00 C ATOM 496 CG ASP A 33 16.164 -5.123 -0.560 1.00 0.00 C ATOM 497 OD1 ASP A 33 17.102 -4.492 -1.088 1.00 0.00 O ATOM 498 OD2 ASP A 33 15.860 -6.286 -0.896 1.00 0.00 O ATOM 0 H ASP A 33 13.566 -3.509 2.011 1.00 0.00 H new ATOM 0 HA ASP A 33 14.800 -2.678 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.084 -3.933 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.906 -5.229 1.163 1.00 0.00 H new ATOM 503 N ILE A 34 12.203 -4.589 -0.337 1.00 0.00 N ATOM 504 CA ILE A 34 11.170 -5.191 -1.168 1.00 0.00 C ATOM 505 C ILE A 34 9.886 -4.376 -1.063 1.00 0.00 C ATOM 506 O ILE A 34 9.779 -3.478 -0.225 1.00 0.00 O ATOM 507 CB ILE A 34 10.900 -6.674 -0.801 1.00 0.00 C ATOM 508 CG1 ILE A 34 9.879 -6.798 0.331 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.201 -7.358 -0.401 1.00 0.00 C ATOM 510 CD1 ILE A 34 9.561 -8.229 0.701 1.00 0.00 C ATOM 0 H ILE A 34 11.972 -4.525 0.655 1.00 0.00 H new ATOM 0 HA ILE A 34 11.530 -5.182 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 34 10.485 -7.164 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.259 -6.279 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.959 -6.294 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 34 12.001 -8.399 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.904 -7.317 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.630 -6.848 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.831 -8.242 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.151 -8.747 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.472 -8.732 1.027 1.00 0.00 H new ATOM 522 N ASN A 35 8.918 -4.676 -1.910 1.00 0.00 N ATOM 523 CA ASN A 35 7.683 -3.909 -1.944 1.00 0.00 C ATOM 524 C ASN A 35 6.479 -4.788 -1.618 1.00 0.00 C ATOM 525 O ASN A 35 6.310 -5.860 -2.192 1.00 0.00 O ATOM 526 CB ASN A 35 7.512 -3.232 -3.315 1.00 0.00 C ATOM 527 CG ASN A 35 7.575 -4.202 -4.482 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.557 -4.729 -4.916 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.773 -4.431 -5.007 1.00 0.00 N ATOM 0 H ASN A 35 8.961 -5.442 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 35 7.742 -3.134 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.555 -2.711 -3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.289 -2.477 -3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.870 -5.065 -5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.597 -3.973 -4.617 1.00 0.00 H new ATOM 536 N ALA A 36 5.666 -4.349 -0.663 1.00 0.00 N ATOM 537 CA ALA A 36 4.459 -5.080 -0.301 1.00 0.00 C ATOM 538 C ALA A 36 3.258 -4.146 -0.230 1.00 0.00 C ATOM 539 O ALA A 36 3.375 -2.995 0.190 1.00 0.00 O ATOM 540 CB ALA A 36 4.651 -5.806 1.024 1.00 0.00 C ATOM 0 H ALA A 36 5.821 -3.494 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 36 4.266 -5.821 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.739 -6.346 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.478 -6.511 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.873 -5.081 1.807 1.00 0.00 H new ATOM 546 N ILE A 37 2.105 -4.640 -0.646 1.00 0.00 N ATOM 547 CA ILE A 37 0.893 -3.842 -0.625 1.00 0.00 C ATOM 548 C ILE A 37 0.169 -4.017 0.707 1.00 0.00 C ATOM 549 O ILE A 37 -0.488 -5.026 0.932 1.00 0.00 O ATOM 550 CB ILE A 37 -0.054 -4.230 -1.781 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.656 -4.086 -3.133 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.316 -3.388 -1.747 1.00 0.00 C ATOM 553 CD1 ILE A 37 1.130 -2.682 -3.434 1.00 0.00 C ATOM 0 H ILE A 37 1.983 -5.588 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 37 1.181 -2.798 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.338 -5.275 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.512 -4.760 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.022 -4.406 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.969 -3.678 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.833 -3.546 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.053 -2.335 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.621 -2.665 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.276 -2.005 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.835 -2.363 -2.666 1.00 0.00 H new ATOM 565 N ILE A 38 0.310 -3.053 1.600 1.00 0.00 N ATOM 566 CA ILE A 38 -0.313 -3.157 2.909 1.00 0.00 C ATOM 567 C ILE A 38 -1.792 -2.800 2.840 1.00 0.00 C ATOM 568 O ILE A 38 -2.151 -1.631 2.722 1.00 0.00 O ATOM 569 CB ILE A 38 0.360 -2.240 3.954 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.858 -2.515 4.042 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.287 -2.441 5.315 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.592 -1.552 4.953 1.00 0.00 C ATOM 0 H ILE A 38 0.844 -2.198 1.446 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.190 -4.195 3.220 1.00 0.00 H new ATOM 0 HB ILE A 38 0.222 -1.206 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.013 -3.533 4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.290 -2.460 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.194 -1.791 6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.347 -2.196 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.172 -3.480 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.652 -1.804 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.467 -0.534 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.186 -1.624 5.962 1.00 0.00 H new ATOM 584 N PHE A 39 -2.652 -3.799 2.900 1.00 0.00 N ATOM 585 CA PHE A 39 -4.076 -3.549 3.009 1.00 0.00 C ATOM 586 C PHE A 39 -4.474 -3.601 4.473 1.00 0.00 C ATOM 587 O PHE A 39 -4.421 -4.654 5.106 1.00 0.00 O ATOM 588 CB PHE A 39 -4.902 -4.558 2.212 1.00 0.00 C ATOM 589 CG PHE A 39 -4.868 -4.360 0.719 1.00 0.00 C ATOM 590 CD1 PHE A 39 -4.939 -3.092 0.150 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.774 -5.457 -0.119 1.00 0.00 C ATOM 592 CE1 PHE A 39 -4.914 -2.937 -1.228 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.750 -5.305 -1.485 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.819 -4.049 -2.038 1.00 0.00 C ATOM 0 H PHE A 39 -2.392 -4.785 2.875 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.280 -2.563 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.543 -5.562 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.938 -4.506 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.014 -2.222 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.719 -6.448 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.969 -1.951 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.677 -6.173 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.799 -3.932 -3.111 1.00 0.00 H new ATOM 604 N HIS A 40 -4.839 -2.455 5.019 1.00 0.00 N ATOM 605 CA HIS A 40 -5.223 -2.375 6.418 1.00 0.00 C ATOM 606 C HIS A 40 -6.678 -2.792 6.533 1.00 0.00 C ATOM 607 O HIS A 40 -7.568 -2.094 6.046 1.00 0.00 O ATOM 608 CB HIS A 40 -5.032 -0.950 6.971 1.00 0.00 C ATOM 609 CG HIS A 40 -3.682 -0.359 6.688 1.00 0.00 C ATOM 610 ND1 HIS A 40 -2.764 -0.043 7.663 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.108 -0.004 5.516 1.00 0.00 C ATOM 612 CE1 HIS A 40 -1.686 0.470 7.095 1.00 0.00 C ATOM 613 NE2 HIS A 40 -1.871 0.509 5.795 1.00 0.00 N ATOM 0 H HIS A 40 -4.878 -1.568 4.517 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.588 -3.038 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.797 -0.301 6.545 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.191 -0.966 8.049 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.894 -0.182 8.665 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.548 -0.107 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.799 0.802 7.614 1.00 0.00 H new ATOM 622 N THR A 41 -6.918 -3.943 7.126 1.00 0.00 N ATOM 623 CA THR A 41 -8.258 -4.488 7.191 1.00 0.00 C ATOM 624 C THR A 41 -9.039 -3.937 8.368 1.00 0.00 C ATOM 625 O THR A 41 -8.473 -3.377 9.309 1.00 0.00 O ATOM 626 CB THR A 41 -8.241 -6.025 7.256 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.392 -6.476 8.319 1.00 0.00 O ATOM 628 CG2 THR A 41 -7.763 -6.613 5.940 1.00 0.00 C ATOM 0 H THR A 41 -6.203 -4.519 7.570 1.00 0.00 H new ATOM 0 HA THR A 41 -8.758 -4.180 6.273 1.00 0.00 H new ATOM 0 HB THR A 41 -9.260 -6.363 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.267 -7.445 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.759 -7.701 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.433 -6.302 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.754 -6.259 5.728 1.00 0.00 H new ATOM 636 N LYS A 42 -10.354 -4.107 8.300 1.00 0.00 N ATOM 637 CA LYS A 42 -11.244 -3.750 9.393 1.00 0.00 C ATOM 638 C LYS A 42 -11.005 -4.703 10.561 1.00 0.00 C ATOM 639 O LYS A 42 -11.590 -4.575 11.634 1.00 0.00 O ATOM 640 CB LYS A 42 -12.696 -3.822 8.912 1.00 0.00 C ATOM 641 CG LYS A 42 -13.681 -3.079 9.803 1.00 0.00 C ATOM 642 CD LYS A 42 -15.081 -3.082 9.215 1.00 0.00 C ATOM 643 CE LYS A 42 -15.102 -2.468 7.825 1.00 0.00 C ATOM 644 NZ LYS A 42 -16.485 -2.325 7.300 1.00 0.00 N ATOM 0 H LYS A 42 -10.831 -4.496 7.486 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.045 -2.732 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.754 -3.413 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.996 -4.868 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.700 -3.541 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.345 -2.051 9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.455 -4.105 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.753 -2.527 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.622 -1.490 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.519 -3.089 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.454 -1.903 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.935 -3.261 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.035 -1.711 7.934 1.00 0.00 H new ATOM 658 N LYS A 43 -10.110 -5.654 10.325 1.00 0.00 N ATOM 659 CA LYS A 43 -9.735 -6.639 11.312 1.00 0.00 C ATOM 660 C LYS A 43 -8.542 -6.128 12.127 1.00 0.00 C ATOM 661 O LYS A 43 -8.009 -6.827 12.990 1.00 0.00 O ATOM 662 CB LYS A 43 -9.399 -7.956 10.596 1.00 0.00 C ATOM 663 CG LYS A 43 -9.124 -9.145 11.507 1.00 0.00 C ATOM 664 CD LYS A 43 -10.322 -9.488 12.378 1.00 0.00 C ATOM 665 CE LYS A 43 -10.117 -10.805 13.114 1.00 0.00 C ATOM 666 NZ LYS A 43 -8.834 -10.828 13.864 1.00 0.00 N ATOM 0 H LYS A 43 -9.624 -5.758 9.434 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.559 -6.816 12.003 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.227 -8.211 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.525 -7.794 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.857 -10.011 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.266 -8.924 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.489 -8.689 13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.217 -9.551 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.944 -10.967 13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.134 -11.627 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.823 -11.645 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.042 -10.904 13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.738 -9.951 14.415 1.00 0.00 H new ATOM 680 N LYS A 44 -8.137 -4.891 11.823 1.00 0.00 N ATOM 681 CA LYS A 44 -7.028 -4.214 12.499 1.00 0.00 C ATOM 682 C LYS A 44 -5.695 -4.861 12.144 1.00 0.00 C ATOM 683 O LYS A 44 -4.712 -4.730 12.873 1.00 0.00 O ATOM 684 CB LYS A 44 -7.212 -4.198 14.025 1.00 0.00 C ATOM 685 CG LYS A 44 -8.521 -3.576 14.486 1.00 0.00 C ATOM 686 CD LYS A 44 -8.719 -2.184 13.904 1.00 0.00 C ATOM 687 CE LYS A 44 -9.984 -1.533 14.437 1.00 0.00 C ATOM 688 NZ LYS A 44 -10.293 -0.251 13.750 1.00 0.00 N ATOM 0 H LYS A 44 -8.574 -4.327 11.094 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.026 -3.182 12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.157 -5.221 14.398 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.384 -3.650 14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.352 -4.216 14.190 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.534 -3.520 15.575 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.858 -1.561 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.771 -2.247 12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.822 -2.219 14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.874 -1.352 15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.164 0.155 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.506 0.415 13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.425 -0.425 12.733 1.00 0.00 H new ATOM 702 N LEU A 45 -5.659 -5.543 11.010 1.00 0.00 N ATOM 703 CA LEU A 45 -4.451 -6.212 10.573 1.00 0.00 C ATOM 704 C LEU A 45 -3.923 -5.586 9.295 1.00 0.00 C ATOM 705 O LEU A 45 -4.688 -5.221 8.401 1.00 0.00 O ATOM 706 CB LEU A 45 -4.711 -7.700 10.350 1.00 0.00 C ATOM 707 CG LEU A 45 -5.105 -8.487 11.600 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.397 -9.933 11.238 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.003 -8.426 12.650 1.00 0.00 C ATOM 0 H LEU A 45 -6.453 -5.646 10.378 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.702 -6.098 11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.503 -7.807 9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.813 -8.150 9.925 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.004 -8.034 12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.676 -10.484 12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.216 -9.970 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.508 -10.384 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.307 -8.993 13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.087 -8.853 12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.825 -7.388 12.931 1.00 0.00 H new ATOM 721 N SER A 46 -2.614 -5.444 9.220 1.00 0.00 N ATOM 722 CA SER A 46 -1.978 -4.973 8.011 1.00 0.00 C ATOM 723 C SER A 46 -1.631 -6.156 7.120 1.00 0.00 C ATOM 724 O SER A 46 -0.603 -6.808 7.307 1.00 0.00 O ATOM 725 CB SER A 46 -0.731 -4.163 8.360 1.00 0.00 C ATOM 726 OG SER A 46 0.063 -4.847 9.316 1.00 0.00 O ATOM 0 H SER A 46 -1.971 -5.649 9.985 1.00 0.00 H new ATOM 0 HA SER A 46 -2.663 -4.323 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.146 -3.981 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.023 -3.189 8.753 1.00 0.00 H new ATOM 0 HG SER A 46 0.222 -5.765 9.012 1.00 0.00 H new ATOM 732 N VAL A 47 -2.515 -6.452 6.180 1.00 0.00 N ATOM 733 CA VAL A 47 -2.329 -7.586 5.290 1.00 0.00 C ATOM 734 C VAL A 47 -1.289 -7.246 4.230 1.00 0.00 C ATOM 735 O VAL A 47 -1.371 -6.199 3.583 1.00 0.00 O ATOM 736 CB VAL A 47 -3.658 -7.990 4.613 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.472 -9.189 3.697 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.718 -8.294 5.658 1.00 0.00 C ATOM 0 H VAL A 47 -3.370 -5.921 6.014 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.981 -8.431 5.884 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.988 -7.147 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.426 -9.447 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.749 -8.944 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.108 -10.037 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.647 -8.577 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.380 -9.115 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.889 -7.409 6.271 1.00 0.00 H new ATOM 748 N CYS A 48 -0.315 -8.125 4.051 1.00 0.00 N ATOM 749 CA CYS A 48 0.772 -7.862 3.133 1.00 0.00 C ATOM 750 C CYS A 48 0.437 -8.437 1.770 1.00 0.00 C ATOM 751 O CYS A 48 0.840 -9.547 1.411 1.00 0.00 O ATOM 752 CB CYS A 48 2.077 -8.433 3.679 1.00 0.00 C ATOM 753 SG CYS A 48 2.440 -7.887 5.387 1.00 0.00 S ATOM 0 H CYS A 48 -0.259 -9.024 4.530 1.00 0.00 H new ATOM 0 HA CYS A 48 0.906 -6.786 3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.029 -9.522 3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.898 -8.136 3.027 1.00 0.00 H new ATOM 758 N ALA A 49 -0.342 -7.675 1.033 1.00 0.00 N ATOM 759 CA ALA A 49 -0.835 -8.088 -0.256 1.00 0.00 C ATOM 760 C ALA A 49 0.291 -8.133 -1.275 1.00 0.00 C ATOM 761 O ALA A 49 1.219 -7.326 -1.233 1.00 0.00 O ATOM 762 CB ALA A 49 -1.935 -7.138 -0.698 1.00 0.00 C ATOM 0 H ALA A 49 -0.651 -6.745 1.317 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.245 -9.095 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.312 -7.446 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.748 -7.159 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.536 -6.126 -0.766 1.00 0.00 H new ATOM 768 N ASN A 50 0.216 -9.092 -2.180 1.00 0.00 N ATOM 769 CA ASN A 50 1.238 -9.254 -3.196 1.00 0.00 C ATOM 770 C ASN A 50 0.959 -8.327 -4.352 1.00 0.00 C ATOM 771 O ASN A 50 -0.151 -8.314 -4.880 1.00 0.00 O ATOM 772 CB ASN A 50 1.278 -10.689 -3.737 1.00 0.00 C ATOM 773 CG ASN A 50 1.597 -11.743 -2.697 1.00 0.00 C ATOM 774 OD1 ASN A 50 1.145 -11.544 -1.470 1.00 0.00 O flip ATOM 775 ND2 ASN A 50 2.247 -12.738 -3.001 1.00 0.00 N flip ATOM 0 H ASN A 50 -0.543 -9.771 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 50 2.196 -9.022 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.313 -10.921 -4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.022 -10.744 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.579 -12.857 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.455 -13.446 -2.297 1.00 0.00 H new ATOM 782 N PRO A 51 1.952 -7.552 -4.779 1.00 0.00 N ATOM 783 CA PRO A 51 1.834 -6.712 -5.971 1.00 0.00 C ATOM 784 C PRO A 51 1.842 -7.542 -7.262 1.00 0.00 C ATOM 785 O PRO A 51 2.112 -7.025 -8.344 1.00 0.00 O ATOM 786 CB PRO A 51 3.075 -5.808 -5.905 1.00 0.00 C ATOM 787 CG PRO A 51 3.651 -6.010 -4.541 1.00 0.00 C ATOM 788 CD PRO A 51 3.252 -7.390 -4.120 1.00 0.00 C ATOM 0 HA PRO A 51 0.895 -6.159 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.796 -6.076 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.808 -4.764 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.736 -5.906 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.270 -5.265 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.971 -8.140 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.173 -7.478 -3.036 1.00 0.00 H new ATOM 796 N LYS A 52 1.511 -8.826 -7.136 1.00 0.00 N ATOM 797 CA LYS A 52 1.614 -9.772 -8.241 1.00 0.00 C ATOM 798 C LYS A 52 0.260 -10.386 -8.597 1.00 0.00 C ATOM 799 O LYS A 52 0.142 -11.135 -9.566 1.00 0.00 O ATOM 800 CB LYS A 52 2.584 -10.894 -7.858 1.00 0.00 C ATOM 801 CG LYS A 52 4.045 -10.461 -7.811 1.00 0.00 C ATOM 802 CD LYS A 52 4.987 -11.656 -7.739 1.00 0.00 C ATOM 803 CE LYS A 52 4.974 -12.327 -6.372 1.00 0.00 C ATOM 804 NZ LYS A 52 5.601 -11.473 -5.328 1.00 0.00 N ATOM 0 H LYS A 52 1.166 -9.237 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 52 1.977 -9.226 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.301 -11.288 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.480 -11.710 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.277 -9.868 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.206 -9.818 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.705 -12.384 -8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.001 -11.330 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.946 -12.552 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.504 -13.278 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.757 -12.035 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.512 -11.112 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.973 -10.673 -5.110 1.00 0.00 H new ATOM 818 N GLN A 53 -0.758 -10.066 -7.817 1.00 0.00 N ATOM 819 CA GLN A 53 -2.056 -10.719 -7.951 1.00 0.00 C ATOM 820 C GLN A 53 -3.146 -9.725 -8.345 1.00 0.00 C ATOM 821 O GLN A 53 -3.122 -8.563 -7.939 1.00 0.00 O ATOM 822 CB GLN A 53 -2.394 -11.432 -6.643 1.00 0.00 C ATOM 823 CG GLN A 53 -1.888 -10.682 -5.424 1.00 0.00 C ATOM 824 CD GLN A 53 -1.951 -11.494 -4.150 1.00 0.00 C ATOM 825 OE1 GLN A 53 -2.121 -10.811 -3.031 1.00 0.00 O flip ATOM 826 NE2 GLN A 53 -1.845 -12.717 -4.169 1.00 0.00 N flip ATOM 0 H GLN A 53 -0.715 -9.359 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.003 -11.454 -8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.475 -11.554 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.961 -12.432 -6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.857 -10.373 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.476 -9.773 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.715 -13.204 -5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.887 -13.246 -3.298 1.00 0.00 H new ATOM 835 N THR A 54 -4.104 -10.201 -9.130 1.00 0.00 N ATOM 836 CA THR A 54 -5.122 -9.349 -9.737 1.00 0.00 C ATOM 837 C THR A 54 -6.115 -8.787 -8.735 1.00 0.00 C ATOM 838 O THR A 54 -6.568 -7.658 -8.895 1.00 0.00 O ATOM 839 CB THR A 54 -5.897 -10.113 -10.810 1.00 0.00 C ATOM 840 OG1 THR A 54 -6.025 -11.482 -10.410 1.00 0.00 O ATOM 841 CG2 THR A 54 -5.200 -10.020 -12.153 1.00 0.00 C ATOM 0 H THR A 54 -4.198 -11.189 -9.365 1.00 0.00 H new ATOM 0 HA THR A 54 -4.578 -8.512 -10.175 1.00 0.00 H new ATOM 0 HB THR A 54 -6.886 -9.668 -10.918 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.523 -11.977 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.772 -10.572 -12.899 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.126 -8.975 -12.453 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.200 -10.446 -12.074 1.00 0.00 H new ATOM 849 N TRP A 55 -6.476 -9.567 -7.720 1.00 0.00 N ATOM 850 CA TRP A 55 -7.387 -9.066 -6.696 1.00 0.00 C ATOM 851 C TRP A 55 -6.759 -7.869 -6.005 1.00 0.00 C ATOM 852 O TRP A 55 -7.445 -6.943 -5.587 1.00 0.00 O ATOM 853 CB TRP A 55 -7.773 -10.154 -5.700 1.00 0.00 C ATOM 854 CG TRP A 55 -6.687 -10.538 -4.773 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.763 -11.492 -4.937 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.430 -9.956 -3.533 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.943 -11.546 -3.863 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.336 -10.603 -2.971 1.00 0.00 C ATOM 859 CE3 TRP A 55 -7.032 -8.948 -2.852 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.829 -10.257 -1.728 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.553 -8.603 -1.647 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.460 -9.241 -1.079 1.00 0.00 C ATOM 0 H TRP A 55 -6.160 -10.527 -7.585 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.313 -8.749 -7.176 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.629 -9.812 -5.118 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.095 -11.038 -6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.683 -12.129 -5.805 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.160 -12.189 -3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.882 -8.432 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.979 -10.766 -1.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.033 -7.804 -1.102 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.105 -8.927 -0.109 1.00 0.00 H new ATOM 873 N VAL A 56 -5.441 -7.885 -5.937 1.00 0.00 N ATOM 874 CA VAL A 56 -4.699 -6.765 -5.413 1.00 0.00 C ATOM 875 C VAL A 56 -4.689 -5.624 -6.418 1.00 0.00 C ATOM 876 O VAL A 56 -5.003 -4.492 -6.066 1.00 0.00 O ATOM 877 CB VAL A 56 -3.261 -7.171 -5.052 1.00 0.00 C ATOM 878 CG1 VAL A 56 -2.350 -5.965 -4.947 1.00 0.00 C ATOM 879 CG2 VAL A 56 -3.252 -7.944 -3.753 1.00 0.00 C ATOM 0 H VAL A 56 -4.864 -8.669 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.193 -6.430 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.882 -7.805 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.342 -6.292 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.329 -5.440 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.722 -5.294 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.229 -8.227 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.659 -7.321 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.861 -8.841 -3.859 1.00 0.00 H new ATOM 889 N LYS A 57 -4.357 -5.939 -7.671 1.00 0.00 N ATOM 890 CA LYS A 57 -4.313 -4.938 -8.733 1.00 0.00 C ATOM 891 C LYS A 57 -5.661 -4.239 -8.864 1.00 0.00 C ATOM 892 O LYS A 57 -5.730 -3.052 -9.176 1.00 0.00 O ATOM 893 CB LYS A 57 -3.927 -5.584 -10.063 1.00 0.00 C ATOM 894 CG LYS A 57 -2.579 -6.284 -10.037 1.00 0.00 C ATOM 895 CD LYS A 57 -2.138 -6.682 -11.435 1.00 0.00 C ATOM 896 CE LYS A 57 -0.858 -7.500 -11.411 1.00 0.00 C ATOM 897 NZ LYS A 57 -0.264 -7.643 -12.766 1.00 0.00 N ATOM 0 H LYS A 57 -4.114 -6.882 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.558 -4.197 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.695 -6.305 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.913 -4.818 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.833 -5.626 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.639 -7.171 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.929 -7.258 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.986 -5.786 -12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.136 -7.025 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.067 -8.488 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.607 -8.208 -12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.942 -8.120 -13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.041 -6.702 -13.148 1.00 0.00 H new ATOM 911 N TYR A 58 -6.734 -4.984 -8.621 1.00 0.00 N ATOM 912 CA TYR A 58 -8.068 -4.419 -8.621 1.00 0.00 C ATOM 913 C TYR A 58 -8.231 -3.429 -7.467 1.00 0.00 C ATOM 914 O TYR A 58 -8.579 -2.265 -7.680 1.00 0.00 O ATOM 915 CB TYR A 58 -9.113 -5.535 -8.524 1.00 0.00 C ATOM 916 CG TYR A 58 -10.465 -5.060 -8.051 1.00 0.00 C ATOM 917 CD1 TYR A 58 -11.255 -4.237 -8.843 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.943 -5.427 -6.800 1.00 0.00 C ATOM 919 CE1 TYR A 58 -12.481 -3.791 -8.397 1.00 0.00 C ATOM 920 CE2 TYR A 58 -12.166 -4.989 -6.349 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.933 -4.171 -7.150 1.00 0.00 C ATOM 922 OH TYR A 58 -14.154 -3.731 -6.700 1.00 0.00 O ATOM 0 H TYR A 58 -6.700 -5.984 -8.421 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.219 -3.880 -9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.224 -6.003 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.749 -6.304 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.904 -3.942 -9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.344 -6.068 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.084 -3.148 -9.020 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.523 -5.284 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.322 -4.091 -5.804 1.00 0.00 H new ATOM 932 N ILE A 59 -7.950 -3.891 -6.253 1.00 0.00 N ATOM 933 CA ILE A 59 -8.165 -3.089 -5.057 1.00 0.00 C ATOM 934 C ILE A 59 -7.246 -1.869 -5.029 1.00 0.00 C ATOM 935 O ILE A 59 -7.687 -0.763 -4.727 1.00 0.00 O ATOM 936 CB ILE A 59 -7.977 -3.917 -3.768 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.938 -5.108 -3.762 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.217 -3.046 -2.549 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.757 -6.046 -2.591 1.00 0.00 C ATOM 0 H ILE A 59 -7.571 -4.821 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.199 -2.746 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.954 -4.291 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.962 -4.734 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.807 -5.670 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.082 -3.640 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.508 -2.218 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.234 -2.654 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.477 -6.861 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.746 -6.452 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.918 -5.502 -1.660 1.00 0.00 H new ATOM 951 N VAL A 60 -5.978 -2.064 -5.370 1.00 0.00 N ATOM 952 CA VAL A 60 -5.011 -0.970 -5.345 1.00 0.00 C ATOM 953 C VAL A 60 -5.342 0.083 -6.408 1.00 0.00 C ATOM 954 O VAL A 60 -5.131 1.276 -6.187 1.00 0.00 O ATOM 955 CB VAL A 60 -3.547 -1.471 -5.514 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.327 -2.139 -6.864 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.562 -0.330 -5.341 1.00 0.00 C ATOM 0 H VAL A 60 -5.596 -2.962 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.086 -0.509 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.375 -2.215 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.292 -2.474 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.994 -2.996 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.537 -1.426 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.546 -0.705 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.759 0.437 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.673 0.099 -4.345 1.00 0.00 H new ATOM 967 N ARG A 61 -5.880 -0.353 -7.551 1.00 0.00 N ATOM 968 CA ARG A 61 -6.321 0.580 -8.587 1.00 0.00 C ATOM 969 C ARG A 61 -7.447 1.448 -8.043 1.00 0.00 C ATOM 970 O ARG A 61 -7.470 2.665 -8.237 1.00 0.00 O ATOM 971 CB ARG A 61 -6.778 -0.184 -9.842 1.00 0.00 C ATOM 972 CG ARG A 61 -7.193 0.707 -11.007 1.00 0.00 C ATOM 973 CD ARG A 61 -8.684 1.035 -10.980 1.00 0.00 C ATOM 974 NE ARG A 61 -9.521 -0.135 -11.272 1.00 0.00 N ATOM 975 CZ ARG A 61 -10.858 -0.144 -11.219 1.00 0.00 C ATOM 976 NH1 ARG A 61 -11.533 0.957 -10.900 1.00 0.00 N ATOM 977 NH2 ARG A 61 -11.521 -1.257 -11.507 1.00 0.00 N ATOM 0 H ARG A 61 -6.019 -1.337 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.486 1.221 -8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.969 -0.836 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.617 -0.827 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.619 1.633 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.949 0.211 -11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.948 1.431 -10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.894 1.819 -11.708 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.051 -1.001 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.031 1.821 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.552 0.938 -10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.011 -2.101 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.540 -1.268 -11.468 1.00 0.00 H new ATOM 991 N LEU A 62 -8.361 0.807 -7.336 1.00 0.00 N ATOM 992 CA LEU A 62 -9.483 1.491 -6.720 1.00 0.00 C ATOM 993 C LEU A 62 -8.985 2.429 -5.620 1.00 0.00 C ATOM 994 O LEU A 62 -9.441 3.568 -5.494 1.00 0.00 O ATOM 995 CB LEU A 62 -10.445 0.448 -6.144 1.00 0.00 C ATOM 996 CG LEU A 62 -11.831 0.962 -5.758 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.590 1.426 -6.993 1.00 0.00 C ATOM 998 CD2 LEU A 62 -12.605 -0.127 -5.030 1.00 0.00 C ATOM 0 H LEU A 62 -8.346 -0.200 -7.173 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.006 2.090 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.565 -0.351 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.984 0.005 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.717 1.815 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.575 1.789 -6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.037 2.230 -7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.702 0.592 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.592 0.248 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.713 -0.994 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.066 -0.416 -4.128 1.00 0.00 H new ATOM 1010 N LEU A 63 -8.014 1.945 -4.855 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.460 2.685 -3.730 1.00 0.00 C ATOM 1012 C LEU A 63 -6.513 3.797 -4.176 1.00 0.00 C ATOM 1013 O LEU A 63 -6.069 4.601 -3.361 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.763 1.720 -2.773 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.724 0.850 -1.959 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -6.967 -0.195 -1.165 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.570 1.714 -1.038 1.00 0.00 C ATOM 0 H LEU A 63 -7.589 1.029 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.285 3.173 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.099 1.072 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.138 2.292 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.386 0.332 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.672 -0.800 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.407 -0.835 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.276 0.298 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.248 1.081 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.921 2.261 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.149 2.421 -1.632 1.00 0.00 H new ATOM 1029 N SER A 64 -6.202 3.849 -5.465 1.00 0.00 N ATOM 1030 CA SER A 64 -5.339 4.902 -5.980 1.00 0.00 C ATOM 1031 C SER A 64 -6.142 6.020 -6.652 1.00 0.00 C ATOM 1032 O SER A 64 -5.579 7.037 -7.060 1.00 0.00 O ATOM 1033 CB SER A 64 -4.307 4.324 -6.957 1.00 0.00 C ATOM 1034 OG SER A 64 -4.926 3.668 -8.055 1.00 0.00 O ATOM 0 H SER A 64 -6.530 3.183 -6.165 1.00 0.00 H new ATOM 0 HA SER A 64 -4.815 5.338 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.668 5.126 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.663 3.620 -6.430 1.00 0.00 H new ATOM 0 HG SER A 64 -5.884 3.567 -7.878 1.00 0.00 H new ATOM 1040 N LYS A 65 -7.457 5.848 -6.762 1.00 0.00 N ATOM 1041 CA LYS A 65 -8.278 6.846 -7.440 1.00 0.00 C ATOM 1042 C LYS A 65 -9.515 7.203 -6.614 1.00 0.00 C ATOM 1043 O LYS A 65 -10.400 7.928 -7.072 1.00 0.00 O ATOM 1044 CB LYS A 65 -8.666 6.348 -8.837 1.00 0.00 C ATOM 1045 CG LYS A 65 -9.140 7.450 -9.775 1.00 0.00 C ATOM 1046 CD LYS A 65 -9.348 6.928 -11.187 1.00 0.00 C ATOM 1047 CE LYS A 65 -9.798 8.026 -12.141 1.00 0.00 C ATOM 1048 NZ LYS A 65 -11.106 8.617 -11.738 1.00 0.00 N ATOM 0 H LYS A 65 -7.968 5.044 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.691 7.758 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.808 5.847 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.455 5.602 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.073 7.872 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.408 8.258 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.419 6.489 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.093 6.132 -11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.041 8.810 -12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.880 7.619 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.456 9.235 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.793 7.855 -11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.982 9.174 -10.868 1.00 0.00 H new ATOM 1062 N LYS A 66 -9.561 6.704 -5.389 1.00 0.00 N ATOM 1063 CA LYS A 66 -10.635 7.059 -4.463 1.00 0.00 C ATOM 1064 C LYS A 66 -10.070 7.724 -3.217 1.00 0.00 C ATOM 1065 O LYS A 66 -10.741 7.826 -2.190 1.00 0.00 O ATOM 1066 CB LYS A 66 -11.461 5.835 -4.074 1.00 0.00 C ATOM 1067 CG LYS A 66 -12.439 5.394 -5.150 1.00 0.00 C ATOM 1068 CD LYS A 66 -13.301 4.239 -4.669 1.00 0.00 C ATOM 1069 CE LYS A 66 -14.145 4.619 -3.463 1.00 0.00 C ATOM 1070 NZ LYS A 66 -15.132 5.680 -3.785 1.00 0.00 N ATOM 0 H LYS A 66 -8.872 6.054 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.291 7.764 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.787 5.009 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.014 6.055 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.075 6.233 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.891 5.095 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.953 3.912 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.663 3.393 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.669 3.737 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.494 4.962 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.785 5.802 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.634 6.575 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.670 5.408 -4.632 1.00 0.00 H new ATOM 1084 N VAL A 67 -8.828 8.165 -3.316 1.00 0.00 N ATOM 1085 CA VAL A 67 -8.179 8.883 -2.230 1.00 0.00 C ATOM 1086 C VAL A 67 -7.986 10.344 -2.622 1.00 0.00 C ATOM 1087 O VAL A 67 -7.706 10.650 -3.784 1.00 0.00 O ATOM 1088 CB VAL A 67 -6.815 8.250 -1.868 1.00 0.00 C ATOM 1089 CG1 VAL A 67 -7.008 6.853 -1.294 1.00 0.00 C ATOM 1090 CG2 VAL A 67 -5.898 8.197 -3.084 1.00 0.00 C ATOM 0 H VAL A 67 -8.244 8.038 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.821 8.820 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.345 8.878 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.037 6.424 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.620 6.911 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.505 6.222 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.946 7.748 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.365 7.598 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.727 9.208 -3.455 1.00 0.00 H new ATOM 1100 N LYS A 68 -8.158 11.246 -1.664 1.00 0.00 N ATOM 1101 CA LYS A 68 -8.031 12.665 -1.944 1.00 0.00 C ATOM 1102 C LYS A 68 -6.565 13.053 -2.072 1.00 0.00 C ATOM 1103 O LYS A 68 -5.822 13.059 -1.091 1.00 0.00 O ATOM 1104 CB LYS A 68 -8.705 13.509 -0.859 1.00 0.00 C ATOM 1105 CG LYS A 68 -8.892 14.962 -1.277 1.00 0.00 C ATOM 1106 CD LYS A 68 -9.434 15.823 -0.149 1.00 0.00 C ATOM 1107 CE LYS A 68 -8.371 16.102 0.902 1.00 0.00 C ATOM 1108 NZ LYS A 68 -8.880 17.007 1.963 1.00 0.00 N ATOM 0 H LYS A 68 -8.384 11.020 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.535 12.863 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.676 13.076 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.105 13.471 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.937 15.367 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.574 15.008 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.802 16.766 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.284 15.323 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.044 15.163 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.498 16.550 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.130 17.177 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.169 17.912 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.698 16.568 2.431 1.00 0.00 H new ATOM 1122 N ASN A 69 -6.157 13.354 -3.292 1.00 0.00 N ATOM 1123 CA ASN A 69 -4.788 13.778 -3.562 1.00 0.00 C ATOM 1124 C ASN A 69 -4.718 15.296 -3.642 1.00 0.00 C ATOM 1125 O ASN A 69 -3.636 15.879 -3.665 1.00 0.00 O ATOM 1126 CB ASN A 69 -4.271 13.155 -4.866 1.00 0.00 C ATOM 1127 CG ASN A 69 -5.192 13.412 -6.044 1.00 0.00 C ATOM 1128 OD1 ASN A 69 -5.060 14.405 -6.757 1.00 0.00 O ATOM 1129 ND2 ASN A 69 -6.138 12.510 -6.248 1.00 0.00 N ATOM 0 H ASN A 69 -6.755 13.313 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.154 13.435 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.283 13.557 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.155 12.080 -4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.793 12.624 -7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.212 11.700 -5.632 1.00 0.00 H new ATOM 1136 N MET A 70 -5.880 15.927 -3.664 1.00 0.00 N ATOM 1137 CA MET A 70 -5.966 17.374 -3.757 1.00 0.00 C ATOM 1138 C MET A 70 -7.234 17.852 -3.068 1.00 0.00 C ATOM 1139 O MET A 70 -8.286 17.921 -3.737 1.00 0.00 O ATOM 1140 CB MET A 70 -5.950 17.816 -5.225 1.00 0.00 C ATOM 1141 CG MET A 70 -6.016 19.321 -5.421 1.00 0.00 C ATOM 1142 SD MET A 70 -5.968 19.785 -7.160 1.00 0.00 S ATOM 1143 CE MET A 70 -4.340 19.189 -7.618 1.00 0.00 C ATOM 1144 OXT MET A 70 -7.183 18.110 -1.852 1.00 0.00 O ATOM 0 H MET A 70 -6.783 15.455 -3.618 1.00 0.00 H new ATOM 0 HA MET A 70 -5.103 17.818 -3.260 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.043 17.438 -5.697 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.793 17.356 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.931 19.704 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.182 19.790 -4.899 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.003 19.706 -8.516 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.640 19.381 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.386 18.117 -7.812 1.00 0.00 H new TER 1154 MET A 70