USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -51:sc= 0.645 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0988 X(o=0.55,f=0.57) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.8) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0666 (180deg=-0.54) USER MOD Single : A 13 CYS SG : rot -100:sc= -2.13! USER MOD Single : A 14 ASN : amide:sc= -1.39 K(o=-1.4,f=-9.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 25 ASN : amide:sc= -0.0315 K(o=-0.031,f=-1.8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.03) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.367 K(o=-0.37,f=-5.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.369 K(o=0.37,f=-5.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.271 K(o=0.27,f=-3.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00776) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.88 K(o=-0.88,f=-2.1) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -0.594 -0.309 3.093 1.00 0.00 N ATOM 32 CA ILE A 3 -0.816 1.118 2.886 1.00 0.00 C ATOM 33 C ILE A 3 0.500 1.830 2.588 1.00 0.00 C ATOM 34 O ILE A 3 1.534 1.516 3.179 1.00 0.00 O ATOM 35 CB ILE A 3 -1.461 1.731 4.130 1.00 0.00 C ATOM 36 CG1 ILE A 3 -1.831 3.191 3.850 1.00 0.00 C ATOM 37 CG2 ILE A 3 -0.475 1.672 5.298 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.989 3.246 2.851 1.00 0.00 C ATOM 0 HA ILE A 3 -1.482 1.242 2.032 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.361 1.171 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.114 3.689 4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.968 3.725 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.935 2.109 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.212 0.634 5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.425 2.231 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.250 4.286 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.690 2.764 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.853 2.727 3.267 1.00 0.00 H new ATOM 50 N GLU A 4 0.453 2.789 1.670 1.00 0.00 N ATOM 51 CA GLU A 4 1.647 3.541 1.300 1.00 0.00 C ATOM 52 C GLU A 4 2.118 4.407 2.465 1.00 0.00 C ATOM 53 O GLU A 4 1.330 4.772 3.337 1.00 0.00 O ATOM 54 CB GLU A 4 1.350 4.429 0.090 1.00 0.00 C ATOM 55 CG GLU A 4 0.285 5.462 0.463 1.00 0.00 C ATOM 56 CD GLU A 4 -0.056 6.321 -0.750 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.513 6.079 -1.801 1.00 0.00 O ATOM 58 OE2 GLU A 4 -0.881 7.208 -0.609 1.00 0.00 O ATOM 0 H GLU A 4 -0.393 3.063 1.171 1.00 0.00 H new ATOM 0 HA GLU A 4 2.436 2.833 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.260 4.932 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.004 3.820 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.611 4.958 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.647 6.092 1.275 1.00 0.00 H new ATOM 65 N SER A 5 3.407 4.732 2.471 1.00 0.00 N ATOM 66 CA SER A 5 3.971 5.556 3.534 1.00 0.00 C ATOM 67 C SER A 5 3.500 7.000 3.398 1.00 0.00 C ATOM 68 O SER A 5 3.031 7.413 2.338 1.00 0.00 O ATOM 69 CB SER A 5 5.498 5.509 3.475 1.00 0.00 C ATOM 70 OG SER A 5 5.945 6.192 2.311 1.00 0.00 O ATOM 0 H SER A 5 4.076 4.440 1.758 1.00 0.00 H new ATOM 0 HA SER A 5 3.632 5.163 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.922 5.971 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.841 4.475 3.458 1.00 0.00 H new ATOM 0 HG SER A 5 6.924 6.165 2.271 1.00 0.00 H new ATOM 76 N HIS A 6 3.627 7.763 4.479 1.00 0.00 N ATOM 77 CA HIS A 6 3.210 9.161 4.467 1.00 0.00 C ATOM 78 C HIS A 6 4.048 9.962 3.476 1.00 0.00 C ATOM 79 O HIS A 6 3.611 10.998 2.975 1.00 0.00 O ATOM 80 CB HIS A 6 3.359 9.763 5.866 1.00 0.00 C ATOM 81 CG HIS A 6 4.817 9.838 6.227 1.00 0.00 C ATOM 82 ND1 HIS A 6 5.619 10.901 5.844 1.00 0.00 N ATOM 83 CD2 HIS A 6 5.631 8.989 6.934 1.00 0.00 C ATOM 84 CE1 HIS A 6 6.856 10.668 6.319 1.00 0.00 C ATOM 85 NE2 HIS A 6 6.919 9.515 6.991 1.00 0.00 N ATOM 0 H HIS A 6 4.012 7.441 5.367 1.00 0.00 H new ATOM 0 HA HIS A 6 2.165 9.205 4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.915 10.758 5.895 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.824 9.154 6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.320 8.055 7.378 1.00 0.00 H new ATOM 0 HE1 HIS A 6 7.696 11.332 6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.735 9.108 7.448 1.00 0.00 H new ATOM 94 N GLN A 7 5.254 9.477 3.197 1.00 0.00 N ATOM 95 CA GLN A 7 6.143 10.159 2.264 1.00 0.00 C ATOM 96 C GLN A 7 5.471 10.317 0.904 1.00 0.00 C ATOM 97 O GLN A 7 4.820 9.396 0.411 1.00 0.00 O ATOM 98 CB GLN A 7 7.442 9.367 2.104 1.00 0.00 C ATOM 99 CG GLN A 7 8.428 10.170 1.254 1.00 0.00 C ATOM 100 CD GLN A 7 9.785 9.475 1.233 1.00 0.00 C ATOM 101 OE1 GLN A 7 9.930 8.377 1.770 1.00 0.00 O ATOM 102 NE2 GLN A 7 10.794 10.053 0.640 1.00 0.00 N ATOM 0 H GLN A 7 5.636 8.621 3.600 1.00 0.00 H new ATOM 0 HA GLN A 7 6.369 11.148 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.875 9.157 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.238 8.405 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.046 10.271 0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.532 11.177 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.671 10.963 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.705 9.595 0.621 1.00 0.00 H new ATOM 111 N VAL A 8 5.633 11.492 0.303 1.00 0.00 N ATOM 112 CA VAL A 8 5.037 11.761 -1.000 1.00 0.00 C ATOM 113 C VAL A 8 6.035 12.470 -1.911 1.00 0.00 C ATOM 114 O VAL A 8 6.860 13.258 -1.449 1.00 0.00 O ATOM 115 CB VAL A 8 3.789 12.629 -0.833 1.00 0.00 C ATOM 116 CG1 VAL A 8 4.172 13.951 -0.165 1.00 0.00 C ATOM 117 CG2 VAL A 8 3.178 12.911 -2.208 1.00 0.00 C ATOM 0 H VAL A 8 6.168 12.267 0.694 1.00 0.00 H new ATOM 0 HA VAL A 8 4.760 10.810 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 8 3.062 12.106 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.282 14.570 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.609 13.751 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.898 14.475 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.288 13.530 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.905 13.435 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.905 11.970 -2.685 1.00 0.00 H new ATOM 127 N GLU A 9 5.951 12.185 -3.206 1.00 0.00 N ATOM 128 CA GLU A 9 6.851 12.802 -4.174 1.00 0.00 C ATOM 129 C GLU A 9 6.159 12.959 -5.525 1.00 0.00 C ATOM 130 O GLU A 9 5.062 12.442 -5.735 1.00 0.00 O ATOM 131 CB GLU A 9 8.113 11.950 -4.340 1.00 0.00 C ATOM 132 CG GLU A 9 7.773 10.470 -4.136 1.00 0.00 C ATOM 133 CD GLU A 9 6.613 10.068 -5.041 1.00 0.00 C ATOM 134 OE1 GLU A 9 6.682 10.358 -6.224 1.00 0.00 O ATOM 135 OE2 GLU A 9 5.672 9.477 -4.537 1.00 0.00 O ATOM 0 H GLU A 9 5.274 11.536 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 9 7.129 13.788 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.537 12.101 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.870 12.261 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.646 9.855 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.510 10.290 -3.094 1.00 0.00 H new ATOM 142 N LYS A 10 6.807 13.676 -6.437 1.00 0.00 N ATOM 143 CA LYS A 10 6.244 13.896 -7.764 1.00 0.00 C ATOM 144 C LYS A 10 7.328 13.782 -8.831 1.00 0.00 C ATOM 145 O LYS A 10 8.516 13.922 -8.540 1.00 0.00 O ATOM 146 CB LYS A 10 5.598 15.281 -7.834 1.00 0.00 C ATOM 147 CG LYS A 10 6.546 16.318 -7.228 1.00 0.00 C ATOM 148 CD LYS A 10 6.056 16.704 -5.831 1.00 0.00 C ATOM 149 CE LYS A 10 6.931 17.828 -5.274 1.00 0.00 C ATOM 150 NZ LYS A 10 6.640 18.011 -3.824 1.00 0.00 N ATOM 0 H LYS A 10 7.716 14.112 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 10 5.487 13.134 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.375 15.538 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.651 15.280 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.556 15.913 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.592 17.201 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.016 17.027 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.093 15.839 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.985 17.588 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.739 18.755 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.235 18.775 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.637 18.258 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.845 17.128 -3.315 1.00 0.00 H new ATOM 164 N ARG A 11 6.911 13.528 -10.067 1.00 0.00 N ATOM 165 CA ARG A 11 7.857 13.400 -11.170 1.00 0.00 C ATOM 166 C ARG A 11 7.447 14.301 -12.331 1.00 0.00 C ATOM 167 O ARG A 11 7.141 13.827 -13.424 1.00 0.00 O ATOM 168 CB ARG A 11 7.969 11.937 -11.651 1.00 0.00 C ATOM 169 CG ARG A 11 6.646 11.164 -11.472 1.00 0.00 C ATOM 170 CD ARG A 11 5.650 11.564 -12.564 1.00 0.00 C ATOM 171 NE ARG A 11 4.906 12.757 -12.169 1.00 0.00 N ATOM 172 CZ ARG A 11 3.868 12.694 -11.333 1.00 0.00 C ATOM 173 NH1 ARG A 11 3.479 11.549 -10.831 1.00 0.00 N ATOM 174 NH2 ARG A 11 3.234 13.788 -11.011 1.00 0.00 N ATOM 0 H ARG A 11 5.933 13.408 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 11 8.835 13.712 -10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.257 11.923 -12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.761 11.433 -11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.834 10.091 -11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.224 11.374 -10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.181 11.752 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.958 10.743 -12.751 1.00 0.00 H new ATOM 0 HE ARG A 11 5.188 13.663 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.971 10.690 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.684 11.516 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.533 14.683 -11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.440 13.748 -10.373 1.00 0.00 H new ATOM 188 N LYS A 12 7.449 15.607 -12.085 1.00 0.00 N ATOM 189 CA LYS A 12 7.079 16.570 -13.116 1.00 0.00 C ATOM 190 C LYS A 12 8.173 16.672 -14.172 1.00 0.00 C ATOM 191 O LYS A 12 9.354 16.485 -13.877 1.00 0.00 O ATOM 192 CB LYS A 12 6.841 17.944 -12.486 1.00 0.00 C ATOM 193 CG LYS A 12 8.145 18.457 -11.870 1.00 0.00 C ATOM 194 CD LYS A 12 7.897 19.814 -11.208 1.00 0.00 C ATOM 195 CE LYS A 12 9.184 20.299 -10.540 1.00 0.00 C ATOM 196 NZ LYS A 12 10.237 20.499 -11.576 1.00 0.00 N ATOM 0 H LYS A 12 7.701 16.021 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 12 6.162 16.228 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.483 18.644 -13.240 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.067 17.876 -11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.517 17.744 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.911 18.550 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.566 20.538 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.101 19.730 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.001 21.232 -10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.519 19.571 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.984 21.116 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.647 19.579 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.816 20.941 -12.418 1.00 0.00 H new ATOM 210 N CYS A 13 7.773 16.968 -15.404 1.00 0.00 N ATOM 211 CA CYS A 13 8.730 17.091 -16.496 1.00 0.00 C ATOM 212 C CYS A 13 9.882 18.005 -16.095 1.00 0.00 C ATOM 213 O CYS A 13 9.684 19.191 -15.831 1.00 0.00 O ATOM 214 CB CYS A 13 8.037 17.652 -17.738 1.00 0.00 C ATOM 215 SG CYS A 13 9.081 17.368 -19.188 1.00 0.00 S ATOM 0 H CYS A 13 6.801 17.126 -15.670 1.00 0.00 H new ATOM 0 HA CYS A 13 9.127 16.101 -16.721 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.068 17.173 -17.875 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.851 18.719 -17.614 1.00 0.00 H new ATOM 0 HG CYS A 13 9.724 18.460 -19.481 1.00 0.00 H new ATOM 220 N ASN A 14 11.085 17.443 -16.050 1.00 0.00 N ATOM 221 CA ASN A 14 12.266 18.214 -15.678 1.00 0.00 C ATOM 222 C ASN A 14 13.273 18.283 -16.829 1.00 0.00 C ATOM 223 O ASN A 14 14.226 19.062 -16.778 1.00 0.00 O ATOM 224 CB ASN A 14 12.932 17.587 -14.451 1.00 0.00 C ATOM 225 CG ASN A 14 13.262 16.122 -14.723 1.00 0.00 C ATOM 226 OD1 ASN A 14 13.390 15.717 -15.878 1.00 0.00 O ATOM 227 ND2 ASN A 14 13.408 15.299 -13.721 1.00 0.00 N ATOM 0 H ASN A 14 11.268 16.463 -16.265 1.00 0.00 H new ATOM 0 HA ASN A 14 11.944 19.229 -15.445 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.842 18.133 -14.203 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.270 17.664 -13.589 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.629 14.318 -13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.302 15.636 -12.764 1.00 0.00 H new ATOM 234 N THR A 15 13.066 17.466 -17.861 1.00 0.00 N ATOM 235 CA THR A 15 13.972 17.451 -19.004 1.00 0.00 C ATOM 236 C THR A 15 14.208 18.865 -19.530 1.00 0.00 C ATOM 237 O THR A 15 13.571 19.820 -19.083 1.00 0.00 O ATOM 238 CB THR A 15 13.391 16.575 -20.119 1.00 0.00 C ATOM 239 OG1 THR A 15 14.389 16.341 -21.102 1.00 0.00 O ATOM 240 CG2 THR A 15 12.194 17.278 -20.764 1.00 0.00 C ATOM 0 H THR A 15 12.286 16.812 -17.928 1.00 0.00 H new ATOM 0 HA THR A 15 14.927 17.039 -18.678 1.00 0.00 H new ATOM 0 HB THR A 15 13.062 15.626 -19.696 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.020 15.779 -21.815 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.786 16.649 -21.556 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.427 17.456 -20.010 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.515 18.230 -21.186 1.00 0.00 H new ATOM 306 N GLN A 21 10.235 25.289 -22.568 1.00 0.00 N ATOM 307 CA GLN A 21 8.851 25.744 -22.640 1.00 0.00 C ATOM 308 C GLN A 21 8.617 26.916 -21.690 1.00 0.00 C ATOM 309 O GLN A 21 7.779 27.778 -21.953 1.00 0.00 O ATOM 310 CB GLN A 21 7.896 24.587 -22.309 1.00 0.00 C ATOM 311 CG GLN A 21 7.318 24.753 -20.899 1.00 0.00 C ATOM 312 CD GLN A 21 6.558 23.492 -20.500 1.00 0.00 C ATOM 313 OE1 GLN A 21 6.511 22.527 -21.263 1.00 0.00 O ATOM 314 NE2 GLN A 21 5.957 23.441 -19.343 1.00 0.00 N ATOM 0 HA GLN A 21 8.652 26.085 -23.656 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.087 24.556 -23.039 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.427 23.638 -22.381 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.121 24.945 -20.187 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.652 25.615 -20.868 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.997 24.241 -18.712 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.447 22.601 -19.070 1.00 0.00 H new ATOM 323 N ARG A 22 9.363 26.948 -20.588 1.00 0.00 N ATOM 324 CA ARG A 22 9.214 28.031 -19.621 1.00 0.00 C ATOM 325 C ARG A 22 9.921 29.292 -20.119 1.00 0.00 C ATOM 326 O ARG A 22 9.581 30.404 -19.717 1.00 0.00 O ATOM 327 CB ARG A 22 9.754 27.601 -18.244 1.00 0.00 C ATOM 328 CG ARG A 22 11.241 27.957 -18.088 1.00 0.00 C ATOM 329 CD ARG A 22 11.375 29.342 -17.451 1.00 0.00 C ATOM 330 NE ARG A 22 11.922 29.227 -16.102 1.00 0.00 N ATOM 331 CZ ARG A 22 13.193 28.882 -15.887 1.00 0.00 C ATOM 332 NH1 ARG A 22 13.999 28.633 -16.888 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.639 28.791 -14.663 1.00 0.00 N ATOM 0 H ARG A 22 10.065 26.249 -20.345 1.00 0.00 H new ATOM 0 HA ARG A 22 8.154 28.259 -19.512 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.177 28.088 -17.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.621 26.526 -18.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.740 27.212 -17.469 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.732 27.944 -19.061 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.024 29.970 -18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.401 29.830 -17.416 1.00 0.00 H new ATOM 0 HE ARG A 22 11.317 29.415 -15.303 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.658 28.702 -17.847 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.968 28.370 -16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.017 28.983 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.610 28.528 -14.492 1.00 0.00 H new ATOM 347 N LEU A 23 10.901 29.108 -21.001 1.00 0.00 N ATOM 348 CA LEU A 23 11.643 30.236 -21.552 1.00 0.00 C ATOM 349 C LEU A 23 10.766 31.021 -22.521 1.00 0.00 C ATOM 350 O LEU A 23 10.804 32.252 -22.553 1.00 0.00 O ATOM 351 CB LEU A 23 12.897 29.734 -22.277 1.00 0.00 C ATOM 352 CG LEU A 23 13.690 30.920 -22.836 1.00 0.00 C ATOM 353 CD1 LEU A 23 14.207 31.785 -21.684 1.00 0.00 C ATOM 354 CD2 LEU A 23 14.878 30.397 -23.648 1.00 0.00 C ATOM 0 H LEU A 23 11.197 28.195 -21.346 1.00 0.00 H new ATOM 0 HA LEU A 23 11.941 30.892 -20.734 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.520 29.161 -21.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.614 29.061 -23.087 1.00 0.00 H new ATOM 0 HG LEU A 23 13.041 31.519 -23.475 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.770 32.627 -22.086 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.364 32.157 -21.102 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.855 31.188 -21.043 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.444 31.238 -24.047 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.523 29.798 -23.005 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.514 29.782 -24.471 1.00 0.00 H new ATOM 366 N ALA A 24 9.973 30.300 -23.307 1.00 0.00 N ATOM 367 CA ALA A 24 9.085 30.936 -24.273 1.00 0.00 C ATOM 368 C ALA A 24 8.070 31.822 -23.559 1.00 0.00 C ATOM 369 O ALA A 24 7.722 32.899 -24.044 1.00 0.00 O ATOM 370 CB ALA A 24 8.352 29.870 -25.090 1.00 0.00 C ATOM 0 H ALA A 24 9.927 29.281 -23.294 1.00 0.00 H new ATOM 0 HA ALA A 24 9.685 31.554 -24.941 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.691 30.354 -25.809 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.079 29.255 -25.621 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.764 29.241 -24.422 1.00 0.00 H new ATOM 376 N ASN A 25 7.600 31.362 -22.405 1.00 0.00 N ATOM 377 CA ASN A 25 6.626 32.118 -21.628 1.00 0.00 C ATOM 378 C ASN A 25 7.276 33.347 -21.001 1.00 0.00 C ATOM 379 O ASN A 25 6.608 34.347 -20.741 1.00 0.00 O ATOM 380 CB ASN A 25 6.040 31.233 -20.527 1.00 0.00 C ATOM 381 CG ASN A 25 5.118 30.183 -21.138 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.561 30.395 -22.215 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.922 29.056 -20.510 1.00 0.00 N ATOM 0 H ASN A 25 7.876 30.473 -21.988 1.00 0.00 H new ATOM 0 HA ASN A 25 5.830 32.444 -22.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.843 30.746 -19.974 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.487 31.844 -19.814 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.306 28.349 -20.912 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.385 28.882 -19.618 1.00 0.00 H new ATOM 390 N PHE A 26 8.579 33.263 -20.757 1.00 0.00 N ATOM 391 CA PHE A 26 9.308 34.375 -20.156 1.00 0.00 C ATOM 392 C PHE A 26 9.377 35.561 -21.115 1.00 0.00 C ATOM 393 O PHE A 26 9.272 36.714 -20.696 1.00 0.00 O ATOM 394 CB PHE A 26 10.726 33.934 -19.785 1.00 0.00 C ATOM 395 CG PHE A 26 11.444 35.074 -19.103 1.00 0.00 C ATOM 396 CD1 PHE A 26 11.189 35.357 -17.756 1.00 0.00 C ATOM 397 CD2 PHE A 26 12.363 35.850 -19.819 1.00 0.00 C ATOM 398 CE1 PHE A 26 11.853 36.416 -17.125 1.00 0.00 C ATOM 399 CE2 PHE A 26 13.028 36.908 -19.188 1.00 0.00 C ATOM 400 CZ PHE A 26 12.773 37.191 -17.841 1.00 0.00 C ATOM 0 H PHE A 26 9.149 32.443 -20.964 1.00 0.00 H new ATOM 0 HA PHE A 26 8.776 34.683 -19.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.688 33.067 -19.125 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.270 33.630 -20.679 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.480 34.758 -17.203 1.00 0.00 H new ATOM 0 HD2 PHE A 26 12.559 35.632 -20.859 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.655 36.635 -16.086 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.738 37.506 -19.740 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.286 38.007 -17.354 1.00 0.00 H new ATOM 410 N LEU A 27 9.562 35.274 -22.400 1.00 0.00 N ATOM 411 CA LEU A 27 9.651 36.331 -23.402 1.00 0.00 C ATOM 412 C LEU A 27 8.353 37.134 -23.432 1.00 0.00 C ATOM 413 O LEU A 27 8.375 38.363 -23.461 1.00 0.00 O ATOM 414 CB LEU A 27 9.939 35.701 -24.782 1.00 0.00 C ATOM 415 CG LEU A 27 10.081 36.757 -25.905 1.00 0.00 C ATOM 416 CD1 LEU A 27 8.698 37.167 -26.439 1.00 0.00 C ATOM 417 CD2 LEU A 27 10.839 37.997 -25.405 1.00 0.00 C ATOM 0 H LEU A 27 9.652 34.328 -22.770 1.00 0.00 H new ATOM 0 HA LEU A 27 10.464 37.011 -23.148 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.855 35.113 -24.724 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.134 35.012 -25.037 1.00 0.00 H new ATOM 0 HG LEU A 27 10.654 36.306 -26.715 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.818 37.910 -27.228 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.189 36.291 -26.840 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.106 37.591 -25.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.924 38.722 -26.214 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.296 38.444 -24.573 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.835 37.705 -25.073 1.00 0.00 H new ATOM 429 N VAL A 28 7.223 36.436 -23.408 1.00 0.00 N ATOM 430 CA VAL A 28 5.927 37.106 -23.422 1.00 0.00 C ATOM 431 C VAL A 28 5.590 37.644 -22.034 1.00 0.00 C ATOM 432 O VAL A 28 4.890 38.648 -21.903 1.00 0.00 O ATOM 433 CB VAL A 28 4.834 36.141 -23.887 1.00 0.00 C ATOM 434 CG1 VAL A 28 5.189 35.595 -25.271 1.00 0.00 C ATOM 435 CG2 VAL A 28 4.716 34.979 -22.897 1.00 0.00 C ATOM 0 H VAL A 28 7.177 35.417 -23.379 1.00 0.00 H new ATOM 0 HA VAL A 28 5.980 37.942 -24.119 1.00 0.00 H new ATOM 0 HB VAL A 28 3.883 36.672 -23.937 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.410 34.908 -25.602 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.269 36.420 -25.978 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.141 35.067 -25.221 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.937 34.294 -23.231 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.667 34.449 -22.843 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.460 35.366 -21.911 1.00 0.00 H new ATOM 445 N HIS A 29 6.098 36.979 -21.002 1.00 0.00 N ATOM 446 CA HIS A 29 5.845 37.411 -19.632 1.00 0.00 C ATOM 447 C HIS A 29 6.588 38.711 -19.338 1.00 0.00 C ATOM 448 O HIS A 29 6.186 39.483 -18.466 1.00 0.00 O ATOM 449 CB HIS A 29 6.293 36.329 -18.648 1.00 0.00 C ATOM 450 CG HIS A 29 5.996 36.777 -17.244 1.00 0.00 C ATOM 451 ND1 HIS A 29 4.710 36.790 -16.728 1.00 0.00 N ATOM 452 CD2 HIS A 29 6.809 37.232 -16.235 1.00 0.00 C ATOM 453 CE1 HIS A 29 4.785 37.241 -15.462 1.00 0.00 C ATOM 454 NE2 HIS A 29 6.043 37.525 -15.112 1.00 0.00 N ATOM 0 H HIS A 29 6.682 36.147 -21.086 1.00 0.00 H new ATOM 0 HA HIS A 29 4.775 37.581 -19.516 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.776 35.393 -18.860 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.360 36.137 -18.762 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.881 37.345 -16.303 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.933 37.359 -14.809 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.371 37.880 -14.214 1.00 0.00 H new ATOM 463 N SER A 30 7.669 38.948 -20.079 1.00 0.00 N ATOM 464 CA SER A 30 8.456 40.164 -19.893 1.00 0.00 C ATOM 465 C SER A 30 8.464 41.011 -21.166 1.00 0.00 C ATOM 466 O SER A 30 9.262 41.940 -21.295 1.00 0.00 O ATOM 467 CB SER A 30 9.889 39.811 -19.497 1.00 0.00 C ATOM 468 OG SER A 30 10.581 40.998 -19.133 1.00 0.00 O ATOM 0 H SER A 30 8.016 38.322 -20.805 1.00 0.00 H new ATOM 0 HA SER A 30 7.995 40.745 -19.094 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.886 39.108 -18.664 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.397 39.320 -20.327 1.00 0.00 H new ATOM 0 HG SER A 30 10.470 41.671 -19.837 1.00 0.00 H new ATOM 474 N SER A 31 7.575 40.689 -22.103 1.00 0.00 N ATOM 475 CA SER A 31 7.499 41.432 -23.356 1.00 0.00 C ATOM 476 C SER A 31 7.034 42.863 -23.107 1.00 0.00 C ATOM 477 O SER A 31 7.521 43.801 -23.738 1.00 0.00 O ATOM 478 CB SER A 31 6.535 40.742 -24.321 1.00 0.00 C ATOM 479 OG SER A 31 6.439 41.506 -25.515 1.00 0.00 O ATOM 0 H SER A 31 6.904 39.926 -22.019 1.00 0.00 H new ATOM 0 HA SER A 31 8.495 41.457 -23.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.887 39.735 -24.547 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.552 40.640 -23.861 1.00 0.00 H new ATOM 0 HG SER A 31 5.823 41.065 -26.137 1.00 0.00 H new ATOM 485 N ASN A 32 6.089 43.024 -22.188 1.00 0.00 N ATOM 486 CA ASN A 32 5.566 44.347 -21.870 1.00 0.00 C ATOM 487 C ASN A 32 6.662 45.235 -21.292 1.00 0.00 C ATOM 488 O ASN A 32 6.676 46.447 -21.515 1.00 0.00 O ATOM 489 CB ASN A 32 4.424 44.226 -20.860 1.00 0.00 C ATOM 490 CG ASN A 32 4.927 43.568 -19.579 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.583 42.528 -19.631 1.00 0.00 O ATOM 492 ND2 ASN A 32 4.656 44.115 -18.426 1.00 0.00 N ATOM 0 H ASN A 32 5.672 42.262 -21.654 1.00 0.00 H new ATOM 0 HA ASN A 32 5.195 44.800 -22.790 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.019 45.213 -20.637 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.612 43.637 -21.286 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.988 43.681 -17.565 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.112 44.977 -18.386 1.00 0.00 H new ATOM 499 N ASN A 33 7.578 44.626 -20.550 1.00 0.00 N ATOM 500 CA ASN A 33 8.671 45.376 -19.946 1.00 0.00 C ATOM 501 C ASN A 33 9.658 45.821 -21.020 1.00 0.00 C ATOM 502 O ASN A 33 10.315 46.852 -20.889 1.00 0.00 O ATOM 503 CB ASN A 33 9.390 44.514 -18.907 1.00 0.00 C ATOM 504 CG ASN A 33 8.487 44.292 -17.698 1.00 0.00 C ATOM 505 OD1 ASN A 33 8.214 43.150 -17.328 1.00 0.00 O ATOM 506 ND2 ASN A 33 8.002 45.321 -17.059 1.00 0.00 N ATOM 0 H ASN A 33 7.587 43.625 -20.353 1.00 0.00 H new ATOM 0 HA ASN A 33 8.260 46.257 -19.454 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.666 43.555 -19.346 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.315 45.000 -18.596 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.395 45.180 -16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.230 46.266 -17.367 1.00 0.00 H new ATOM 513 N PHE A 34 9.752 45.023 -22.079 1.00 0.00 N ATOM 514 CA PHE A 34 10.663 45.323 -23.179 1.00 0.00 C ATOM 515 C PHE A 34 10.384 46.714 -23.737 1.00 0.00 C ATOM 516 O PHE A 34 11.308 47.470 -24.038 1.00 0.00 O ATOM 517 CB PHE A 34 10.507 44.281 -24.289 1.00 0.00 C ATOM 518 CG PHE A 34 11.553 44.516 -25.351 1.00 0.00 C ATOM 519 CD1 PHE A 34 12.895 44.214 -25.091 1.00 0.00 C ATOM 520 CD2 PHE A 34 11.182 45.034 -26.598 1.00 0.00 C ATOM 521 CE1 PHE A 34 13.866 44.430 -26.076 1.00 0.00 C ATOM 522 CE2 PHE A 34 12.153 45.250 -27.583 1.00 0.00 C ATOM 523 CZ PHE A 34 13.494 44.948 -27.323 1.00 0.00 C ATOM 0 H PHE A 34 9.211 44.167 -22.199 1.00 0.00 H new ATOM 0 HA PHE A 34 11.684 45.294 -22.800 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.611 43.277 -23.877 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.510 44.345 -24.725 1.00 0.00 H new ATOM 0 HD1 PHE A 34 13.181 43.814 -24.130 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.147 45.267 -26.800 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.901 44.197 -25.875 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.867 45.650 -28.544 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.242 45.114 -28.084 1.00 0.00 H new ATOM 533 N GLY A 35 9.105 47.051 -23.861 1.00 0.00 N ATOM 534 CA GLY A 35 8.715 48.361 -24.367 1.00 0.00 C ATOM 535 C GLY A 35 9.191 49.466 -23.429 1.00 0.00 C ATOM 536 O GLY A 35 9.814 50.434 -23.865 1.00 0.00 O ATOM 0 H GLY A 35 8.325 46.439 -23.620 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.138 48.513 -25.360 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.631 48.408 -24.471 1.00 0.00 H new ATOM 540 N ALA A 36 8.893 49.322 -22.142 1.00 0.00 N ATOM 541 CA ALA A 36 9.304 50.322 -21.163 1.00 0.00 C ATOM 542 C ALA A 36 10.822 50.481 -21.162 1.00 0.00 C ATOM 543 O ALA A 36 11.341 51.588 -21.022 1.00 0.00 O ATOM 544 CB ALA A 36 8.826 49.920 -19.767 1.00 0.00 C ATOM 0 H ALA A 36 8.375 48.533 -21.756 1.00 0.00 H new ATOM 0 HA ALA A 36 8.852 51.275 -21.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.139 50.674 -19.044 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.739 49.842 -19.763 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.260 48.957 -19.497 1.00 0.00 H new ATOM 550 N ILE A 37 11.528 49.366 -21.321 1.00 0.00 N ATOM 551 CA ILE A 37 12.987 49.390 -21.340 1.00 0.00 C ATOM 552 C ILE A 37 13.494 50.244 -22.498 1.00 0.00 C ATOM 553 O ILE A 37 14.482 50.966 -22.365 1.00 0.00 O ATOM 554 CB ILE A 37 13.533 47.967 -21.478 1.00 0.00 C ATOM 555 CG1 ILE A 37 13.328 47.214 -20.159 1.00 0.00 C ATOM 556 CG2 ILE A 37 15.027 48.024 -21.806 1.00 0.00 C ATOM 557 CD1 ILE A 37 13.608 45.724 -20.365 1.00 0.00 C ATOM 0 H ILE A 37 11.117 48.440 -21.438 1.00 0.00 H new ATOM 0 HA ILE A 37 13.335 49.823 -20.402 1.00 0.00 H new ATOM 0 HB ILE A 37 13.005 47.450 -22.279 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.991 47.616 -19.393 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.308 47.356 -19.803 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.417 47.011 -21.904 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.174 48.562 -22.743 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.556 48.540 -21.005 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.461 45.193 -19.425 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.926 45.326 -21.117 1.00 0.00 H new ATOM 0 HD13 ILE A 37 14.636 45.590 -20.700 1.00 0.00 H new ATOM 569 N LEU A 38 12.809 50.153 -23.633 1.00 0.00 N ATOM 570 CA LEU A 38 13.195 50.916 -24.814 1.00 0.00 C ATOM 571 C LEU A 38 13.261 52.404 -24.488 1.00 0.00 C ATOM 572 O LEU A 38 14.118 53.124 -25.003 1.00 0.00 O ATOM 573 CB LEU A 38 12.187 50.675 -25.942 1.00 0.00 C ATOM 574 CG LEU A 38 12.609 51.447 -27.195 1.00 0.00 C ATOM 575 CD1 LEU A 38 13.937 50.894 -27.720 1.00 0.00 C ATOM 576 CD2 LEU A 38 11.533 51.291 -28.272 1.00 0.00 C ATOM 0 H LEU A 38 11.988 49.562 -23.760 1.00 0.00 H new ATOM 0 HA LEU A 38 14.182 50.585 -25.137 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.126 49.610 -26.165 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.193 50.993 -25.627 1.00 0.00 H new ATOM 0 HG LEU A 38 12.731 52.501 -26.946 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.234 51.446 -28.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.705 51.002 -26.954 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.819 49.839 -27.969 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.830 51.840 -29.166 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.414 50.236 -28.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.587 51.687 -27.901 1.00 0.00 H new ATOM 588 N SER A 39 12.358 52.858 -23.626 1.00 0.00 N ATOM 589 CA SER A 39 12.328 54.263 -23.235 1.00 0.00 C ATOM 590 C SER A 39 13.562 54.617 -22.407 1.00 0.00 C ATOM 591 O SER A 39 14.130 55.699 -22.557 1.00 0.00 O ATOM 592 CB SER A 39 11.066 54.553 -22.422 1.00 0.00 C ATOM 593 OG SER A 39 9.924 54.379 -23.251 1.00 0.00 O ATOM 0 H SER A 39 11.642 52.279 -23.187 1.00 0.00 H new ATOM 0 HA SER A 39 12.325 54.871 -24.140 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.011 53.885 -21.563 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.096 55.571 -22.033 1.00 0.00 H new ATOM 0 HG SER A 39 9.113 54.562 -22.733 1.00 0.00 H new ATOM 599 N SER A 40 13.972 53.700 -21.534 1.00 0.00 N ATOM 600 CA SER A 40 15.140 53.929 -20.690 1.00 0.00 C ATOM 601 C SER A 40 16.396 53.360 -21.343 1.00 0.00 C ATOM 602 O SER A 40 17.373 53.046 -20.664 1.00 0.00 O ATOM 603 CB SER A 40 14.932 53.273 -19.325 1.00 0.00 C ATOM 604 OG SER A 40 13.962 54.010 -18.592 1.00 0.00 O ATOM 0 H SER A 40 13.516 52.798 -21.394 1.00 0.00 H new ATOM 0 HA SER A 40 15.267 55.004 -20.563 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.603 52.242 -19.451 1.00 0.00 H new ATOM 0 HB3 SER A 40 15.873 53.243 -18.776 1.00 0.00 H new ATOM 0 HG SER A 40 13.825 53.591 -17.717 1.00 0.00 H new ATOM 610 N THR A 41 16.361 53.226 -22.666 1.00 0.00 N ATOM 611 CA THR A 41 17.501 52.691 -23.404 1.00 0.00 C ATOM 612 C THR A 41 18.775 53.477 -23.095 1.00 0.00 C ATOM 613 O THR A 41 19.882 52.975 -23.286 1.00 0.00 O ATOM 614 CB THR A 41 17.220 52.747 -24.906 1.00 0.00 C ATOM 615 OG1 THR A 41 18.328 52.207 -25.613 1.00 0.00 O ATOM 616 CG2 THR A 41 16.999 54.199 -25.333 1.00 0.00 C ATOM 0 H THR A 41 15.561 53.479 -23.246 1.00 0.00 H new ATOM 0 HA THR A 41 17.649 51.656 -23.094 1.00 0.00 H new ATOM 0 HB THR A 41 16.326 52.165 -25.130 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.149 52.240 -26.576 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.799 54.237 -26.404 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.149 54.613 -24.790 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.891 54.784 -25.110 1.00 0.00 H new ATOM 624 N ASN A 42 18.615 54.709 -22.622 1.00 0.00 N ATOM 625 CA ASN A 42 19.766 55.545 -22.297 1.00 0.00 C ATOM 626 C ASN A 42 20.108 55.449 -20.811 1.00 0.00 C ATOM 627 O ASN A 42 20.682 56.376 -20.239 1.00 0.00 O ATOM 628 CB ASN A 42 19.472 57.002 -22.661 1.00 0.00 C ATOM 629 CG ASN A 42 18.354 57.544 -21.777 1.00 0.00 C ATOM 630 OD1 ASN A 42 17.451 56.802 -21.391 1.00 0.00 O ATOM 631 ND2 ASN A 42 18.360 58.803 -21.432 1.00 0.00 N ATOM 0 H ASN A 42 17.709 55.148 -22.456 1.00 0.00 H new ATOM 0 HA ASN A 42 20.619 55.188 -22.874 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.371 57.605 -22.536 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.184 57.073 -23.710 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.615 59.174 -20.841 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.109 59.416 -21.753 1.00 0.00 H new ATOM 638 N VAL A 43 19.756 54.326 -20.191 1.00 0.00 N ATOM 639 CA VAL A 43 20.037 54.128 -18.773 1.00 0.00 C ATOM 640 C VAL A 43 21.367 53.398 -18.582 1.00 0.00 C ATOM 641 O VAL A 43 21.620 52.814 -17.529 1.00 0.00 O ATOM 642 CB VAL A 43 18.903 53.325 -18.128 1.00 0.00 C ATOM 643 CG1 VAL A 43 19.049 51.841 -18.485 1.00 0.00 C ATOM 644 CG2 VAL A 43 18.950 53.495 -16.604 1.00 0.00 C ATOM 0 H VAL A 43 19.280 53.546 -20.644 1.00 0.00 H new ATOM 0 HA VAL A 43 20.108 55.104 -18.293 1.00 0.00 H new ATOM 0 HB VAL A 43 17.948 53.692 -18.503 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.240 51.275 -18.024 1.00 0.00 H new ATOM 0 HG12 VAL A 43 19.005 51.721 -19.567 1.00 0.00 H new ATOM 0 HG13 VAL A 43 20.006 51.471 -18.118 1.00 0.00 H new ATOM 0 HG21 VAL A 43 18.142 52.922 -16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 43 19.907 53.135 -16.227 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.834 54.549 -16.352 1.00 0.00 H new ATOM 654 N GLY A 44 22.218 53.437 -19.604 1.00 0.00 N ATOM 655 CA GLY A 44 23.516 52.775 -19.528 1.00 0.00 C ATOM 656 C GLY A 44 23.502 51.444 -20.275 1.00 0.00 C ATOM 657 O GLY A 44 24.555 50.890 -20.590 1.00 0.00 O ATOM 0 H GLY A 44 22.034 53.915 -20.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.283 53.424 -19.950 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.780 52.606 -18.484 1.00 0.00 H new ATOM 661 N SER A 45 22.306 50.933 -20.557 1.00 0.00 N ATOM 662 CA SER A 45 22.176 49.667 -21.268 1.00 0.00 C ATOM 663 C SER A 45 22.063 49.905 -22.771 1.00 0.00 C ATOM 664 O SER A 45 21.483 49.095 -23.494 1.00 0.00 O ATOM 665 CB SER A 45 20.940 48.915 -20.774 1.00 0.00 C ATOM 666 OG SER A 45 19.776 49.664 -21.096 1.00 0.00 O ATOM 0 H SER A 45 21.421 51.373 -20.306 1.00 0.00 H new ATOM 0 HA SER A 45 23.066 49.069 -21.073 1.00 0.00 H new ATOM 0 HB2 SER A 45 20.891 47.929 -21.236 1.00 0.00 H new ATOM 0 HB3 SER A 45 21.001 48.760 -19.697 1.00 0.00 H new ATOM 0 HG SER A 45 18.981 49.184 -20.782 1.00 0.00 H new ATOM 672 N ASN A 46 22.617 51.022 -23.233 1.00 0.00 N ATOM 673 CA ASN A 46 22.572 51.358 -24.652 1.00 0.00 C ATOM 674 C ASN A 46 23.694 50.661 -25.422 1.00 0.00 C ATOM 675 O ASN A 46 23.932 50.967 -26.591 1.00 0.00 O ATOM 676 CB ASN A 46 22.695 52.872 -24.830 1.00 0.00 C ATOM 677 CG ASN A 46 24.090 53.334 -24.421 1.00 0.00 C ATOM 678 OD1 ASN A 46 24.528 53.074 -23.300 1.00 0.00 O ATOM 679 ND2 ASN A 46 24.818 54.007 -25.268 1.00 0.00 N ATOM 0 H ASN A 46 23.099 51.706 -22.650 1.00 0.00 H new ATOM 0 HA ASN A 46 21.617 51.015 -25.050 1.00 0.00 H new ATOM 0 HB2 ASN A 46 22.504 53.141 -25.869 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.943 53.380 -24.226 1.00 0.00 H new ATOM 0 HD21 ASN A 46 25.752 54.319 -25.002 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.453 54.221 -26.196 1.00 0.00 H new ATOM 686 N THR A 47 24.382 49.727 -24.769 1.00 0.00 N ATOM 687 CA THR A 47 25.473 49.007 -25.416 1.00 0.00 C ATOM 688 C THR A 47 24.964 47.722 -26.065 1.00 0.00 C ATOM 689 O THR A 47 25.706 46.750 -26.202 1.00 0.00 O ATOM 690 CB THR A 47 26.555 48.666 -24.389 1.00 0.00 C ATOM 691 OG1 THR A 47 26.675 49.733 -23.458 1.00 0.00 O ATOM 692 CG2 THR A 47 27.892 48.458 -25.103 1.00 0.00 C ATOM 0 H THR A 47 24.205 49.454 -23.802 1.00 0.00 H new ATOM 0 HA THR A 47 25.893 49.648 -26.191 1.00 0.00 H new ATOM 0 HB THR A 47 26.281 47.752 -23.862 1.00 0.00 H new ATOM 0 HG1 THR A 47 27.366 49.515 -22.798 1.00 0.00 H new ATOM 0 HG21 THR A 47 28.662 48.215 -24.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 27.800 47.640 -25.817 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.168 49.371 -25.631 1.00 0.00 H new ATOM 700 N TYR A 48 23.694 47.724 -26.460 1.00 0.00 N ATOM 701 CA TYR A 48 23.100 46.551 -27.091 1.00 0.00 C ATOM 702 C TYR A 48 22.662 46.861 -28.524 1.00 0.00 C ATOM 703 O TYR A 48 21.830 46.153 -29.092 1.00 0.00 O ATOM 704 CB TYR A 48 21.892 46.080 -26.276 1.00 0.00 C ATOM 705 CG TYR A 48 20.693 46.939 -26.605 1.00 0.00 C ATOM 706 CD1 TYR A 48 19.625 46.398 -27.331 1.00 0.00 C ATOM 707 CD2 TYR A 48 20.650 48.274 -26.185 1.00 0.00 C ATOM 708 CE1 TYR A 48 18.514 47.193 -27.637 1.00 0.00 C ATOM 709 CE2 TYR A 48 19.538 49.068 -26.492 1.00 0.00 C ATOM 710 CZ TYR A 48 18.470 48.527 -27.218 1.00 0.00 C ATOM 711 OH TYR A 48 17.375 49.310 -27.519 1.00 0.00 O ATOM 0 H TYR A 48 23.062 48.517 -26.355 1.00 0.00 H new ATOM 0 HA TYR A 48 23.852 45.763 -27.123 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.676 45.035 -26.498 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.114 46.140 -25.210 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.658 45.368 -27.655 1.00 0.00 H new ATOM 0 HD2 TYR A 48 21.474 48.691 -25.625 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.690 46.776 -28.197 1.00 0.00 H new ATOM 0 HE2 TYR A 48 19.504 50.098 -26.169 1.00 0.00 H new ATOM 0 HH TYR A 48 17.506 50.210 -27.153 1.00 0.00 H new ATOM 721 N GLY A 49 23.224 47.918 -29.105 1.00 0.00 N ATOM 722 CA GLY A 49 22.875 48.299 -30.469 1.00 0.00 C ATOM 723 C GLY A 49 23.307 47.228 -31.465 1.00 0.00 C ATOM 724 O GLY A 49 24.339 46.581 -31.287 1.00 0.00 O ATOM 0 H GLY A 49 23.916 48.520 -28.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.799 48.455 -30.542 1.00 0.00 H new ATOM 0 HA3 GLY A 49 23.353 49.246 -30.719 1.00 0.00 H new ATOM 728 N LYS A 50 22.511 47.049 -32.514 1.00 0.00 N ATOM 729 CA LYS A 50 22.819 46.053 -33.535 1.00 0.00 C ATOM 730 C LYS A 50 23.942 46.545 -34.442 1.00 0.00 C ATOM 731 O LYS A 50 24.677 45.748 -35.024 1.00 0.00 O ATOM 732 CB LYS A 50 21.572 45.763 -34.373 1.00 0.00 C ATOM 733 CG LYS A 50 20.505 45.111 -33.492 1.00 0.00 C ATOM 734 CD LYS A 50 19.303 44.713 -34.352 1.00 0.00 C ATOM 735 CE LYS A 50 18.450 45.948 -34.646 1.00 0.00 C ATOM 736 NZ LYS A 50 17.557 46.223 -33.485 1.00 0.00 N ATOM 0 H LYS A 50 21.654 47.576 -32.679 1.00 0.00 H new ATOM 0 HA LYS A 50 23.144 45.139 -33.039 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.188 46.687 -34.804 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.825 45.105 -35.204 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.916 44.232 -32.995 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.192 45.803 -32.710 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.644 44.264 -35.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.706 43.961 -33.835 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.091 46.809 -34.837 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.856 45.787 -35.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.918 47.010 -33.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.997 45.374 -33.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.133 46.477 -32.657 1.00 0.00 H new ATOM 750 N ARG A 51 24.065 47.864 -34.561 1.00 0.00 N ATOM 751 CA ARG A 51 25.100 48.452 -35.405 1.00 0.00 C ATOM 752 C ARG A 51 26.460 47.830 -35.104 1.00 0.00 C ATOM 753 O ARG A 51 27.327 47.759 -35.974 1.00 0.00 O ATOM 754 CB ARG A 51 25.164 49.965 -35.181 1.00 0.00 C ATOM 755 CG ARG A 51 25.698 50.259 -33.777 1.00 0.00 C ATOM 756 CD ARG A 51 25.645 51.765 -33.516 1.00 0.00 C ATOM 757 NE ARG A 51 26.199 52.069 -32.200 1.00 0.00 N ATOM 758 CZ ARG A 51 25.482 51.923 -31.084 1.00 0.00 C ATOM 759 NH1 ARG A 51 24.246 51.493 -31.131 1.00 0.00 N ATOM 760 NH2 ARG A 51 26.020 52.212 -29.931 1.00 0.00 N ATOM 0 H ARG A 51 23.466 48.541 -34.088 1.00 0.00 H new ATOM 0 HA ARG A 51 24.847 48.251 -36.446 1.00 0.00 H new ATOM 0 HB2 ARG A 51 25.809 50.426 -35.929 1.00 0.00 H new ATOM 0 HB3 ARG A 51 24.173 50.402 -35.302 1.00 0.00 H new ATOM 0 HG2 ARG A 51 25.104 49.729 -33.032 1.00 0.00 H new ATOM 0 HG3 ARG A 51 26.722 49.899 -33.683 1.00 0.00 H new ATOM 0 HD2 ARG A 51 26.206 52.295 -34.286 1.00 0.00 H new ATOM 0 HD3 ARG A 51 24.615 52.115 -33.575 1.00 0.00 H new ATOM 0 HE ARG A 51 27.161 52.402 -32.132 1.00 0.00 H new ATOM 0 HH11 ARG A 51 23.819 51.265 -32.029 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.710 51.386 -30.270 1.00 0.00 H new ATOM 0 HH21 ARG A 51 26.982 52.547 -29.887 1.00 0.00 H new ATOM 0 HH22 ARG A 51 25.478 52.103 -29.074 1.00 0.00 H new ATOM 774 N ASN A 52 26.641 47.377 -33.869 1.00 0.00 N ATOM 775 CA ASN A 52 27.901 46.762 -33.472 1.00 0.00 C ATOM 776 C ASN A 52 28.163 45.510 -34.303 1.00 0.00 C ATOM 777 O ASN A 52 29.289 45.260 -34.733 1.00 0.00 O ATOM 778 CB ASN A 52 27.860 46.391 -31.989 1.00 0.00 C ATOM 779 CG ASN A 52 29.196 45.792 -31.566 1.00 0.00 C ATOM 780 OD1 ASN A 52 30.198 46.503 -31.484 1.00 0.00 O ATOM 781 ND2 ASN A 52 29.273 44.517 -31.296 1.00 0.00 N ATOM 0 H ASN A 52 25.938 47.423 -33.131 1.00 0.00 H new ATOM 0 HA ASN A 52 28.705 47.478 -33.642 1.00 0.00 H new ATOM 0 HB2 ASN A 52 27.642 47.275 -31.390 1.00 0.00 H new ATOM 0 HB3 ASN A 52 27.057 45.677 -31.806 1.00 0.00 H new ATOM 0 HD21 ASN A 52 30.165 44.108 -31.016 1.00 0.00 H new ATOM 0 HD22 ASN A 52 28.442 43.930 -31.365 1.00 0.00 H new ATOM 788 N ALA A 53 27.112 44.727 -34.522 1.00 0.00 N ATOM 789 CA ALA A 53 27.231 43.499 -35.300 1.00 0.00 C ATOM 790 C ALA A 53 27.575 43.810 -36.754 1.00 0.00 C ATOM 791 O ALA A 53 28.435 43.163 -37.350 1.00 0.00 O ATOM 792 CB ALA A 53 25.918 42.716 -35.241 1.00 0.00 C ATOM 0 H ALA A 53 26.173 44.919 -34.174 1.00 0.00 H new ATOM 0 HA ALA A 53 28.034 42.899 -34.872 1.00 0.00 H new ATOM 0 HB1 ALA A 53 26.014 41.800 -35.824 1.00 0.00 H new ATOM 0 HB2 ALA A 53 25.691 42.464 -34.205 1.00 0.00 H new ATOM 0 HB3 ALA A 53 25.113 43.325 -35.652 1.00 0.00 H new ATOM 798 N VAL A 54 26.894 44.800 -37.322 1.00 0.00 N ATOM 799 CA VAL A 54 27.133 45.181 -38.710 1.00 0.00 C ATOM 800 C VAL A 54 28.459 45.925 -38.853 1.00 0.00 C ATOM 801 O VAL A 54 29.025 45.996 -39.944 1.00 0.00 O ATOM 802 CB VAL A 54 25.986 46.063 -39.216 1.00 0.00 C ATOM 803 CG1 VAL A 54 26.399 47.537 -39.171 1.00 0.00 C ATOM 804 CG2 VAL A 54 25.645 45.674 -40.657 1.00 0.00 C ATOM 0 H VAL A 54 26.178 45.349 -36.847 1.00 0.00 H new ATOM 0 HA VAL A 54 27.183 44.271 -39.309 1.00 0.00 H new ATOM 0 HB VAL A 54 25.114 45.917 -38.578 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.578 48.156 -39.532 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.640 47.816 -38.145 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.274 47.689 -39.803 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.829 46.300 -41.019 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.521 45.817 -41.290 1.00 0.00 H new ATOM 0 HG23 VAL A 54 25.341 44.628 -40.689 1.00 0.00 H new ATOM 814 N GLU A 55 28.952 46.480 -37.748 1.00 0.00 N ATOM 815 CA GLU A 55 30.212 47.213 -37.778 1.00 0.00 C ATOM 816 C GLU A 55 31.392 46.247 -37.769 1.00 0.00 C ATOM 817 O GLU A 55 32.229 46.268 -38.672 1.00 0.00 O ATOM 818 CB GLU A 55 30.302 48.150 -36.572 1.00 0.00 C ATOM 819 CG GLU A 55 31.450 49.140 -36.777 1.00 0.00 C ATOM 820 CD GLU A 55 32.779 48.488 -36.407 1.00 0.00 C ATOM 821 OE1 GLU A 55 32.776 47.633 -35.536 1.00 0.00 O ATOM 822 OE2 GLU A 55 33.780 48.853 -37.000 1.00 0.00 O ATOM 0 H GLU A 55 28.504 46.437 -36.833 1.00 0.00 H new ATOM 0 HA GLU A 55 30.248 47.802 -38.694 1.00 0.00 H new ATOM 0 HB2 GLU A 55 29.362 48.688 -36.446 1.00 0.00 H new ATOM 0 HB3 GLU A 55 30.464 47.573 -35.662 1.00 0.00 H new ATOM 0 HG2 GLU A 55 31.475 49.470 -37.816 1.00 0.00 H new ATOM 0 HG3 GLU A 55 31.289 50.027 -36.165 1.00 0.00 H new ATOM 829 N VAL A 56 31.455 45.403 -36.744 1.00 0.00 N ATOM 830 CA VAL A 56 32.543 44.439 -36.631 1.00 0.00 C ATOM 831 C VAL A 56 32.699 43.651 -37.928 1.00 0.00 C ATOM 832 O VAL A 56 33.809 43.275 -38.306 1.00 0.00 O ATOM 833 CB VAL A 56 32.276 43.478 -35.471 1.00 0.00 C ATOM 834 CG1 VAL A 56 30.966 42.728 -35.716 1.00 0.00 C ATOM 835 CG2 VAL A 56 33.426 42.474 -35.368 1.00 0.00 C ATOM 0 H VAL A 56 30.773 45.367 -35.987 1.00 0.00 H new ATOM 0 HA VAL A 56 33.467 44.985 -36.440 1.00 0.00 H new ATOM 0 HB VAL A 56 32.200 44.044 -34.542 1.00 0.00 H new ATOM 0 HG11 VAL A 56 30.778 42.044 -34.888 1.00 0.00 H new ATOM 0 HG12 VAL A 56 30.146 43.442 -35.790 1.00 0.00 H new ATOM 0 HG13 VAL A 56 31.039 42.162 -36.645 1.00 0.00 H new ATOM 0 HG21 VAL A 56 33.238 41.788 -34.542 1.00 0.00 H new ATOM 0 HG22 VAL A 56 33.501 41.910 -36.298 1.00 0.00 H new ATOM 0 HG23 VAL A 56 34.360 43.007 -35.191 1.00 0.00 H new ATOM 845 N LEU A 57 31.584 43.407 -38.609 1.00 0.00 N ATOM 846 CA LEU A 57 31.622 42.666 -39.865 1.00 0.00 C ATOM 847 C LEU A 57 32.395 43.457 -40.915 1.00 0.00 C ATOM 848 O LEU A 57 33.163 42.894 -41.695 1.00 0.00 O ATOM 849 CB LEU A 57 30.202 42.393 -40.365 1.00 0.00 C ATOM 850 CG LEU A 57 29.913 40.893 -40.291 1.00 0.00 C ATOM 851 CD1 LEU A 57 29.520 40.516 -38.861 1.00 0.00 C ATOM 852 CD2 LEU A 57 28.765 40.547 -41.241 1.00 0.00 C ATOM 0 H LEU A 57 30.654 43.707 -38.317 1.00 0.00 H new ATOM 0 HA LEU A 57 32.124 41.714 -39.692 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.481 42.943 -39.761 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.093 42.745 -41.391 1.00 0.00 H new ATOM 0 HG LEU A 57 30.806 40.339 -40.580 1.00 0.00 H new ATOM 0 HD11 LEU A 57 29.314 39.447 -38.810 1.00 0.00 H new ATOM 0 HD12 LEU A 57 30.337 40.761 -38.182 1.00 0.00 H new ATOM 0 HD13 LEU A 57 28.628 41.071 -38.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.559 39.478 -41.188 1.00 0.00 H new ATOM 0 HD22 LEU A 57 27.873 41.103 -40.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.044 40.813 -42.261 1.00 0.00 H new ATOM 864 N LYS A 58 32.192 44.771 -40.917 1.00 0.00 N ATOM 865 CA LYS A 58 32.877 45.647 -41.860 1.00 0.00 C ATOM 866 C LYS A 58 34.372 45.687 -41.566 1.00 0.00 C ATOM 867 O LYS A 58 35.193 45.729 -42.481 1.00 0.00 O ATOM 868 CB LYS A 58 32.301 47.062 -41.765 1.00 0.00 C ATOM 869 CG LYS A 58 30.884 47.081 -42.342 1.00 0.00 C ATOM 870 CD LYS A 58 30.951 47.009 -43.869 1.00 0.00 C ATOM 871 CE LYS A 58 29.570 47.306 -44.456 1.00 0.00 C ATOM 872 NZ LYS A 58 28.688 46.119 -44.276 1.00 0.00 N ATOM 0 H LYS A 58 31.560 45.251 -40.277 1.00 0.00 H new ATOM 0 HA LYS A 58 32.727 45.257 -42.866 1.00 0.00 H new ATOM 0 HB2 LYS A 58 32.285 47.390 -40.726 1.00 0.00 H new ATOM 0 HB3 LYS A 58 32.936 47.761 -42.310 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.311 46.240 -41.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.367 47.989 -42.033 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.680 47.727 -44.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.286 46.020 -44.183 1.00 0.00 H new ATOM 0 HE2 LYS A 58 29.133 48.175 -43.964 1.00 0.00 H new ATOM 0 HE3 LYS A 58 29.658 47.550 -45.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.749 46.321 -44.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 29.103 45.300 -44.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 28.595 45.906 -43.262 1.00 0.00 H new ATOM 886 N ARG A 59 34.719 45.680 -40.283 1.00 0.00 N ATOM 887 CA ARG A 59 36.120 45.723 -39.878 1.00 0.00 C ATOM 888 C ARG A 59 36.850 44.455 -40.311 1.00 0.00 C ATOM 889 O ARG A 59 38.030 44.498 -40.662 1.00 0.00 O ATOM 890 CB ARG A 59 36.219 45.878 -38.359 1.00 0.00 C ATOM 891 CG ARG A 59 37.599 46.427 -37.990 1.00 0.00 C ATOM 892 CD ARG A 59 38.501 45.279 -37.533 1.00 0.00 C ATOM 893 NE ARG A 59 39.856 45.767 -37.295 1.00 0.00 N ATOM 894 CZ ARG A 59 40.767 45.027 -36.660 1.00 0.00 C ATOM 895 NH1 ARG A 59 40.472 43.828 -36.226 1.00 0.00 N ATOM 896 NH2 ARG A 59 41.966 45.505 -36.469 1.00 0.00 N ATOM 0 H ARG A 59 34.054 45.645 -39.510 1.00 0.00 H new ATOM 0 HA ARG A 59 36.590 46.578 -40.364 1.00 0.00 H new ATOM 0 HB2 ARG A 59 35.440 46.551 -38.000 1.00 0.00 H new ATOM 0 HB3 ARG A 59 36.057 44.916 -37.873 1.00 0.00 H new ATOM 0 HG2 ARG A 59 38.042 46.932 -38.848 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.507 47.169 -37.197 1.00 0.00 H new ATOM 0 HD2 ARG A 59 38.102 44.834 -36.622 1.00 0.00 H new ATOM 0 HD3 ARG A 59 38.517 44.495 -38.290 1.00 0.00 H new ATOM 0 HE ARG A 59 40.113 46.698 -37.623 1.00 0.00 H new ATOM 0 HH11 ARG A 59 39.536 43.449 -36.372 1.00 0.00 H new ATOM 0 HH12 ARG A 59 41.178 43.273 -35.742 1.00 0.00 H new ATOM 0 HH21 ARG A 59 42.202 46.439 -36.804 1.00 0.00 H new ATOM 0 HH22 ARG A 59 42.667 44.945 -35.984 1.00 0.00 H new ATOM 910 N GLU A 60 36.146 43.327 -40.283 1.00 0.00 N ATOM 911 CA GLU A 60 36.745 42.055 -40.671 1.00 0.00 C ATOM 912 C GLU A 60 35.977 41.432 -41.832 1.00 0.00 C ATOM 913 O GLU A 60 35.236 40.465 -41.653 1.00 0.00 O ATOM 914 CB GLU A 60 36.739 41.093 -39.481 1.00 0.00 C ATOM 915 CG GLU A 60 37.607 41.662 -38.358 1.00 0.00 C ATOM 916 CD GLU A 60 39.082 41.435 -38.673 1.00 0.00 C ATOM 917 OE1 GLU A 60 39.366 40.908 -39.736 1.00 0.00 O ATOM 918 OE2 GLU A 60 39.906 41.789 -37.846 1.00 0.00 O ATOM 0 H GLU A 60 35.168 43.268 -39.998 1.00 0.00 H new ATOM 0 HA GLU A 60 37.772 42.240 -40.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 35.719 40.944 -39.126 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.116 40.117 -39.787 1.00 0.00 H new ATOM 0 HG2 GLU A 60 37.412 42.728 -38.241 1.00 0.00 H new ATOM 0 HG3 GLU A 60 37.351 41.185 -37.412 1.00 0.00 H new ATOM 925 N PRO A 61 36.145 41.967 -43.012 1.00 0.00 N ATOM 926 CA PRO A 61 35.460 41.457 -44.234 1.00 0.00 C ATOM 927 C PRO A 61 36.080 40.157 -44.750 1.00 0.00 C ATOM 928 O PRO A 61 35.525 39.503 -45.633 1.00 0.00 O ATOM 929 CB PRO A 61 35.641 42.589 -45.246 1.00 0.00 C ATOM 930 CG PRO A 61 36.886 43.298 -44.826 1.00 0.00 C ATOM 931 CD PRO A 61 37.010 43.120 -43.309 1.00 0.00 C ATOM 0 HA PRO A 61 34.416 41.210 -44.043 1.00 0.00 H new ATOM 0 HB2 PRO A 61 35.733 42.199 -46.260 1.00 0.00 H new ATOM 0 HB3 PRO A 61 34.784 43.262 -45.240 1.00 0.00 H new ATOM 0 HG2 PRO A 61 37.756 42.885 -45.336 1.00 0.00 H new ATOM 0 HG3 PRO A 61 36.835 44.355 -45.088 1.00 0.00 H new ATOM 0 HD2 PRO A 61 38.042 42.931 -43.013 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.683 44.012 -42.775 1.00 0.00 H new ATOM 939 N LEU A 62 37.235 39.792 -44.199 1.00 0.00 N ATOM 940 CA LEU A 62 37.923 38.576 -44.613 1.00 0.00 C ATOM 941 C LEU A 62 37.026 37.357 -44.431 1.00 0.00 C ATOM 942 O LEU A 62 37.035 36.441 -45.254 1.00 0.00 O ATOM 943 CB LEU A 62 39.199 38.397 -43.788 1.00 0.00 C ATOM 944 CG LEU A 62 40.135 37.419 -44.498 1.00 0.00 C ATOM 945 CD1 LEU A 62 41.586 37.846 -44.274 1.00 0.00 C ATOM 946 CD2 LEU A 62 39.925 36.012 -43.933 1.00 0.00 C ATOM 0 H LEU A 62 37.711 40.320 -43.468 1.00 0.00 H new ATOM 0 HA LEU A 62 38.177 38.668 -45.669 1.00 0.00 H new ATOM 0 HB2 LEU A 62 39.695 39.358 -43.653 1.00 0.00 H new ATOM 0 HB3 LEU A 62 38.952 38.024 -42.794 1.00 0.00 H new ATOM 0 HG LEU A 62 39.918 37.419 -45.566 1.00 0.00 H new ATOM 0 HD11 LEU A 62 42.253 37.148 -44.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 41.736 38.848 -44.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 41.804 37.846 -43.206 1.00 0.00 H new ATOM 0 HD21 LEU A 62 40.592 35.314 -44.439 1.00 0.00 H new ATOM 0 HD22 LEU A 62 40.142 36.013 -42.865 1.00 0.00 H new ATOM 0 HD23 LEU A 62 38.891 35.706 -44.093 1.00 0.00 H new ATOM 958 N ASN A 63 36.255 37.348 -43.348 1.00 0.00 N ATOM 959 CA ASN A 63 35.361 36.231 -43.073 1.00 0.00 C ATOM 960 C ASN A 63 34.305 36.107 -44.167 1.00 0.00 C ATOM 961 O ASN A 63 33.855 35.006 -44.486 1.00 0.00 O ATOM 962 CB ASN A 63 34.675 36.432 -41.719 1.00 0.00 C ATOM 963 CG ASN A 63 33.477 37.363 -41.874 1.00 0.00 C ATOM 964 OD1 ASN A 63 33.628 38.502 -42.313 1.00 0.00 O ATOM 965 ND2 ASN A 63 32.289 36.942 -41.537 1.00 0.00 N ATOM 0 H ASN A 63 36.231 38.094 -42.653 1.00 0.00 H new ATOM 0 HA ASN A 63 35.952 35.315 -43.049 1.00 0.00 H new ATOM 0 HB2 ASN A 63 34.350 35.471 -41.321 1.00 0.00 H new ATOM 0 HB3 ASN A 63 35.382 36.851 -41.003 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.482 37.558 -41.637 1.00 0.00 H new ATOM 0 HD22 ASN A 63 32.167 35.997 -41.173 1.00 0.00 H new ATOM 972 N TYR A 64 33.916 37.242 -44.738 1.00 0.00 N ATOM 973 CA TYR A 64 32.913 37.247 -45.797 1.00 0.00 C ATOM 974 C TYR A 64 33.516 36.739 -47.103 1.00 0.00 C ATOM 975 O TYR A 64 32.887 35.977 -47.837 1.00 0.00 O ATOM 976 CB TYR A 64 32.372 38.663 -45.998 1.00 0.00 C ATOM 977 CG TYR A 64 31.296 38.645 -47.056 1.00 0.00 C ATOM 978 CD1 TYR A 64 30.030 38.128 -46.757 1.00 0.00 C ATOM 979 CD2 TYR A 64 31.563 39.145 -48.336 1.00 0.00 C ATOM 980 CE1 TYR A 64 29.031 38.110 -47.738 1.00 0.00 C ATOM 981 CE2 TYR A 64 30.565 39.127 -49.317 1.00 0.00 C ATOM 982 CZ TYR A 64 29.299 38.609 -49.019 1.00 0.00 C ATOM 983 OH TYR A 64 28.315 38.591 -49.986 1.00 0.00 O ATOM 0 H TYR A 64 34.276 38.163 -44.488 1.00 0.00 H new ATOM 0 HA TYR A 64 32.097 36.587 -45.504 1.00 0.00 H new ATOM 0 HB2 TYR A 64 31.969 39.046 -45.061 1.00 0.00 H new ATOM 0 HB3 TYR A 64 33.179 39.333 -46.296 1.00 0.00 H new ATOM 0 HD1 TYR A 64 29.824 37.743 -45.769 1.00 0.00 H new ATOM 0 HD2 TYR A 64 32.539 39.545 -48.567 1.00 0.00 H new ATOM 0 HE1 TYR A 64 28.054 37.711 -47.507 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.772 39.513 -50.304 1.00 0.00 H new ATOM 0 HH TYR A 64 28.666 38.975 -50.817 1.00 0.00 H new ATOM 993 N LEU A 65 34.740 37.172 -47.383 1.00 0.00 N ATOM 994 CA LEU A 65 35.428 36.763 -48.601 1.00 0.00 C ATOM 995 C LEU A 65 35.624 35.246 -48.617 1.00 0.00 C ATOM 996 O LEU A 65 35.588 34.602 -47.569 1.00 0.00 O ATOM 997 CB LEU A 65 36.788 37.460 -48.685 1.00 0.00 C ATOM 998 CG LEU A 65 36.583 38.963 -48.885 1.00 0.00 C ATOM 999 CD1 LEU A 65 37.914 39.690 -48.681 1.00 0.00 C ATOM 1000 CD2 LEU A 65 36.073 39.225 -50.306 1.00 0.00 C ATOM 0 H LEU A 65 35.274 37.803 -46.786 1.00 0.00 H new ATOM 0 HA LEU A 65 34.821 37.048 -49.460 1.00 0.00 H new ATOM 0 HB2 LEU A 65 37.358 37.279 -47.774 1.00 0.00 H new ATOM 0 HB3 LEU A 65 37.368 37.049 -49.511 1.00 0.00 H new ATOM 0 HG LEU A 65 35.853 39.329 -48.163 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.769 40.761 -48.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 38.279 39.504 -47.671 1.00 0.00 H new ATOM 0 HD13 LEU A 65 38.643 39.323 -49.403 1.00 0.00 H new ATOM 0 HD21 LEU A 65 35.927 40.296 -50.449 1.00 0.00 H new ATOM 0 HD22 LEU A 65 36.803 38.859 -51.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 35.126 38.707 -50.454 1.00 0.00 H new ATOM 1012 N PRO A 66 35.829 34.667 -49.774 1.00 0.00 N ATOM 1013 CA PRO A 66 36.031 33.193 -49.907 1.00 0.00 C ATOM 1014 C PRO A 66 37.120 32.677 -48.971 1.00 0.00 C ATOM 1015 O PRO A 66 38.108 33.365 -48.713 1.00 0.00 O ATOM 1016 CB PRO A 66 36.439 33.010 -51.371 1.00 0.00 C ATOM 1017 CG PRO A 66 35.885 34.195 -52.086 1.00 0.00 C ATOM 1018 CD PRO A 66 35.889 35.345 -51.081 1.00 0.00 C ATOM 0 HA PRO A 66 35.136 32.632 -49.638 1.00 0.00 H new ATOM 0 HB2 PRO A 66 37.523 32.960 -51.474 1.00 0.00 H new ATOM 0 HB3 PRO A 66 36.037 32.082 -51.778 1.00 0.00 H new ATOM 0 HG2 PRO A 66 36.490 34.440 -52.959 1.00 0.00 H new ATOM 0 HG3 PRO A 66 34.875 33.995 -52.444 1.00 0.00 H new ATOM 0 HD2 PRO A 66 36.787 35.955 -51.175 1.00 0.00 H new ATOM 0 HD3 PRO A 66 35.036 36.008 -51.228 1.00 0.00 H new