USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 25 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot -170:sc= -0.41 USER MOD Single : A 3 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0.0561 (180deg=0.0436) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0.0395 (180deg=0.0387) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.784 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -1.38! USER MOD Single : A 34 ASN : amide:sc= -1.03 K(o=-1,f=-5.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.02 K(o=-1,f=-9.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc=-0.00732 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 39:sc= 0.121 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 45:sc= 0.352 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 75 ASN : amide:sc= -3.49 K(o=-3.5,f=-12!) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.157 (180deg=-0.774) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= -0.0119 (180deg=-0.0824) USER MOD Single : A 83 SER OG : rot -11:sc= -0.532 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.721 -10.207 -9.398 1.00 0.00 N ATOM 2 CA ALA A 2 -6.397 -9.468 -8.293 1.00 0.00 C ATOM 3 C ALA A 2 -5.506 -8.312 -7.832 1.00 0.00 C ATOM 4 O ALA A 2 -4.830 -8.400 -6.824 1.00 0.00 O ATOM 5 CB ALA A 2 -6.648 -10.421 -7.121 1.00 0.00 C ATOM 0 HA ALA A 2 -7.348 -9.072 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.142 -9.882 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.283 -11.243 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.697 -10.818 -6.764 1.00 0.00 H new ATOM 13 N GLN A 3 -5.502 -7.228 -8.567 1.00 0.00 N ATOM 14 CA GLN A 3 -4.658 -6.059 -8.181 1.00 0.00 C ATOM 15 C GLN A 3 -5.533 -4.807 -8.092 1.00 0.00 C ATOM 16 O GLN A 3 -6.579 -4.727 -8.710 1.00 0.00 O ATOM 17 CB GLN A 3 -3.566 -5.842 -9.232 1.00 0.00 C ATOM 18 CG GLN A 3 -4.195 -5.781 -10.626 1.00 0.00 C ATOM 19 CD GLN A 3 -3.411 -4.798 -11.499 1.00 0.00 C ATOM 20 OE1 GLN A 3 -3.991 -4.028 -12.239 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.107 -4.791 -11.442 1.00 0.00 N ATOM 0 H GLN A 3 -6.048 -7.103 -9.419 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.195 -6.252 -7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.027 -4.917 -9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.838 -6.652 -9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.191 -6.771 -11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.236 -5.468 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.620 -5.437 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.575 -4.139 -12.019 1.00 0.00 H new ATOM 30 N LYS A 4 -5.112 -3.832 -7.327 1.00 0.00 N ATOM 31 CA LYS A 4 -5.915 -2.581 -7.192 1.00 0.00 C ATOM 32 C LYS A 4 -4.981 -1.370 -7.173 1.00 0.00 C ATOM 33 O LYS A 4 -3.915 -1.407 -6.589 1.00 0.00 O ATOM 34 CB LYS A 4 -6.716 -2.627 -5.888 1.00 0.00 C ATOM 35 CG LYS A 4 -7.886 -1.645 -5.973 1.00 0.00 C ATOM 36 CD LYS A 4 -9.006 -2.102 -5.038 1.00 0.00 C ATOM 37 CE LYS A 4 -10.351 -1.599 -5.566 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.385 -1.734 -4.502 1.00 0.00 N ATOM 0 H LYS A 4 -4.245 -3.849 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.598 -2.498 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.087 -3.637 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.074 -2.372 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.555 -0.644 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.254 -1.589 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.015 -3.190 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.833 -1.720 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.266 -0.557 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.644 -2.170 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.318 -1.489 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.401 -2.715 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.159 -1.093 -3.715 1.00 0.00 H new ATOM 52 N THR A 5 -5.378 -0.296 -7.809 1.00 0.00 N ATOM 53 CA THR A 5 -4.522 0.927 -7.834 1.00 0.00 C ATOM 54 C THR A 5 -5.023 1.919 -6.782 1.00 0.00 C ATOM 55 O THR A 5 -6.158 1.856 -6.350 1.00 0.00 O ATOM 56 CB THR A 5 -4.594 1.572 -9.220 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.425 0.572 -10.215 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.488 2.621 -9.354 1.00 0.00 C ATOM 0 H THR A 5 -6.261 -0.215 -8.313 1.00 0.00 H new ATOM 0 HA THR A 5 -3.490 0.654 -7.615 1.00 0.00 H new ATOM 0 HB THR A 5 -5.564 2.052 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.473 0.983 -11.103 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.540 3.080 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.619 3.387 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.516 2.144 -9.226 1.00 0.00 H new ATOM 66 N PHE A 6 -4.181 2.832 -6.368 1.00 0.00 N ATOM 67 CA PHE A 6 -4.595 3.831 -5.343 1.00 0.00 C ATOM 68 C PHE A 6 -3.942 5.181 -5.651 1.00 0.00 C ATOM 69 O PHE A 6 -2.974 5.258 -6.384 1.00 0.00 O ATOM 70 CB PHE A 6 -4.145 3.357 -3.961 1.00 0.00 C ATOM 71 CG PHE A 6 -4.869 2.082 -3.600 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.389 0.848 -4.057 1.00 0.00 C ATOM 73 CD2 PHE A 6 -6.022 2.133 -2.807 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.061 -0.333 -3.722 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.693 0.952 -2.472 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.214 -0.281 -2.929 1.00 0.00 C ATOM 0 H PHE A 6 -3.221 2.927 -6.699 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.680 3.938 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.068 3.189 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.351 4.127 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.500 0.808 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.393 3.084 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.691 -1.284 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.582 0.992 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.733 -1.192 -2.670 1.00 0.00 H new ATOM 86 N LYS A 7 -4.464 6.242 -5.092 1.00 0.00 N ATOM 87 CA LYS A 7 -3.880 7.593 -5.340 1.00 0.00 C ATOM 88 C LYS A 7 -3.464 8.212 -4.005 1.00 0.00 C ATOM 89 O LYS A 7 -4.283 8.428 -3.132 1.00 0.00 O ATOM 90 CB LYS A 7 -4.925 8.486 -6.015 1.00 0.00 C ATOM 91 CG LYS A 7 -4.670 8.530 -7.525 1.00 0.00 C ATOM 92 CD LYS A 7 -3.673 9.653 -7.853 1.00 0.00 C ATOM 93 CE LYS A 7 -4.232 10.538 -8.970 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.248 9.774 -10.250 1.00 0.00 N ATOM 0 H LYS A 7 -5.274 6.230 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.009 7.503 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.926 8.104 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.880 9.493 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.277 7.572 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.607 8.697 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.482 10.253 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.718 9.225 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.240 10.866 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.622 11.435 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.675 10.358 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.274 9.525 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.806 8.905 -10.129 1.00 0.00 H new ATOM 108 N VAL A 8 -2.199 8.494 -3.843 1.00 0.00 N ATOM 109 CA VAL A 8 -1.716 9.096 -2.565 1.00 0.00 C ATOM 110 C VAL A 8 -2.037 10.591 -2.549 1.00 0.00 C ATOM 111 O VAL A 8 -1.538 11.349 -3.360 1.00 0.00 O ATOM 112 CB VAL A 8 -0.203 8.901 -2.439 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.242 9.279 -1.025 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.154 7.437 -2.700 1.00 0.00 C ATOM 0 H VAL A 8 -1.476 8.333 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.215 8.606 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 8 0.301 9.534 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.319 9.141 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.008 10.322 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.268 8.644 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.232 7.304 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.353 6.804 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.163 7.159 -3.705 1.00 0.00 H new ATOM 124 N THR A 9 -2.867 11.015 -1.631 1.00 0.00 N ATOM 125 CA THR A 9 -3.230 12.460 -1.549 1.00 0.00 C ATOM 126 C THR A 9 -2.772 13.051 -0.206 1.00 0.00 C ATOM 127 O THR A 9 -2.711 14.255 -0.046 1.00 0.00 O ATOM 128 CB THR A 9 -4.749 12.607 -1.673 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.216 11.794 -2.740 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.104 14.069 -1.951 1.00 0.00 C ATOM 0 H THR A 9 -3.310 10.419 -0.932 1.00 0.00 H new ATOM 0 HA THR A 9 -2.735 12.996 -2.359 1.00 0.00 H new ATOM 0 HB THR A 9 -5.220 12.293 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.188 11.886 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.186 14.170 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.746 14.692 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.633 14.387 -2.881 1.00 0.00 H new ATOM 138 N ALA A 10 -2.457 12.219 0.761 1.00 0.00 N ATOM 139 CA ALA A 10 -2.012 12.741 2.088 1.00 0.00 C ATOM 140 C ALA A 10 -0.714 13.535 1.925 1.00 0.00 C ATOM 141 O ALA A 10 0.070 13.282 1.031 1.00 0.00 O ATOM 142 CB ALA A 10 -1.774 11.566 3.039 1.00 0.00 C ATOM 0 H ALA A 10 -2.490 11.202 0.685 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.783 13.395 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.449 11.943 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.699 11.003 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.004 10.914 2.626 1.00 0.00 H new ATOM 148 N ASP A 11 -0.485 14.492 2.789 1.00 0.00 N ATOM 149 CA ASP A 11 0.760 15.311 2.697 1.00 0.00 C ATOM 150 C ASP A 11 1.967 14.446 3.070 1.00 0.00 C ATOM 151 O ASP A 11 2.994 14.490 2.419 1.00 0.00 O ATOM 152 CB ASP A 11 0.664 16.500 3.658 1.00 0.00 C ATOM 153 CG ASP A 11 0.328 15.999 5.064 1.00 0.00 C ATOM 154 OD1 ASP A 11 1.250 15.686 5.798 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.849 15.937 5.384 1.00 0.00 O ATOM 0 H ASP A 11 -1.109 14.741 3.556 1.00 0.00 H new ATOM 0 HA ASP A 11 0.878 15.680 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.607 17.046 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.102 17.196 3.316 1.00 0.00 H new ATOM 160 N SER A 12 1.848 13.661 4.111 1.00 0.00 N ATOM 161 CA SER A 12 2.985 12.787 4.529 1.00 0.00 C ATOM 162 C SER A 12 3.264 11.764 3.429 1.00 0.00 C ATOM 163 O SER A 12 4.391 11.357 3.219 1.00 0.00 O ATOM 164 CB SER A 12 2.626 12.053 5.823 1.00 0.00 C ATOM 165 OG SER A 12 1.228 11.799 5.851 1.00 0.00 O ATOM 0 H SER A 12 1.011 13.588 4.690 1.00 0.00 H new ATOM 0 HA SER A 12 3.870 13.401 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.178 11.115 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.915 12.653 6.686 1.00 0.00 H new ATOM 0 HG SER A 12 0.998 11.327 6.679 1.00 0.00 H new ATOM 171 N GLY A 13 2.241 11.346 2.728 1.00 0.00 N ATOM 172 CA GLY A 13 2.432 10.346 1.638 1.00 0.00 C ATOM 173 C GLY A 13 2.411 8.938 2.232 1.00 0.00 C ATOM 174 O GLY A 13 1.496 8.570 2.946 1.00 0.00 O ATOM 0 H GLY A 13 1.279 11.656 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.644 10.450 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.379 10.524 1.128 1.00 0.00 H new ATOM 178 N ILE A 14 3.413 8.150 1.942 1.00 0.00 N ATOM 179 CA ILE A 14 3.463 6.760 2.483 1.00 0.00 C ATOM 180 C ILE A 14 4.848 6.494 3.075 1.00 0.00 C ATOM 181 O ILE A 14 5.733 5.999 2.402 1.00 0.00 O ATOM 182 CB ILE A 14 3.190 5.761 1.357 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.903 6.154 0.625 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.036 4.358 1.949 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.678 5.218 -0.566 1.00 0.00 C ATOM 0 H ILE A 14 4.202 8.411 1.351 1.00 0.00 H new ATOM 0 HA ILE A 14 2.706 6.646 3.259 1.00 0.00 H new ATOM 0 HB ILE A 14 4.022 5.769 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.055 6.100 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.970 7.186 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.841 3.645 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.953 4.079 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.204 4.349 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.761 5.501 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.521 5.294 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.591 4.191 -0.211 1.00 0.00 H new ATOM 218 N ALA A 16 6.920 5.358 7.039 1.00 0.00 N ATOM 219 CA ALA A 16 6.896 4.150 7.927 1.00 0.00 C ATOM 220 C ALA A 16 5.540 3.979 8.628 1.00 0.00 C ATOM 221 O ALA A 16 5.052 2.875 8.754 1.00 0.00 O ATOM 222 CB ALA A 16 7.998 4.280 8.980 1.00 0.00 C ATOM 0 HA ALA A 16 7.061 3.271 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.986 3.405 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.967 4.352 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.827 5.176 9.576 1.00 0.00 H new ATOM 228 N ARG A 17 4.941 5.043 9.110 1.00 0.00 N ATOM 229 CA ARG A 17 3.627 4.909 9.829 1.00 0.00 C ATOM 230 C ARG A 17 2.592 4.154 8.962 1.00 0.00 C ATOM 231 O ARG A 17 2.019 3.185 9.425 1.00 0.00 O ATOM 232 CB ARG A 17 3.086 6.297 10.193 1.00 0.00 C ATOM 233 CG ARG A 17 2.560 6.287 11.630 1.00 0.00 C ATOM 234 CD ARG A 17 2.316 7.724 12.094 1.00 0.00 C ATOM 235 NE ARG A 17 1.252 7.734 13.135 1.00 0.00 N ATOM 236 CZ ARG A 17 1.313 8.588 14.120 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.403 9.865 13.870 1.00 0.00 N ATOM 238 NH2 ARG A 17 1.283 8.164 15.354 1.00 0.00 N ATOM 0 H ARG A 17 5.301 5.995 9.039 1.00 0.00 H new ATOM 0 HA ARG A 17 3.795 4.334 10.739 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.874 7.043 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.288 6.578 9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.635 5.713 11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.278 5.798 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.236 8.150 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.019 8.345 11.249 1.00 0.00 H new ATOM 0 HE ARG A 17 0.476 7.074 13.079 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.426 10.195 12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.451 10.533 14.639 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.212 7.165 15.549 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.331 8.831 16.124 1.00 0.00 H new ATOM 252 N PRO A 18 2.369 4.593 7.735 1.00 0.00 N ATOM 253 CA PRO A 18 1.398 3.924 6.851 1.00 0.00 C ATOM 254 C PRO A 18 1.971 2.601 6.336 1.00 0.00 C ATOM 255 O PRO A 18 1.239 1.693 5.992 1.00 0.00 O ATOM 256 CB PRO A 18 1.182 4.924 5.712 1.00 0.00 C ATOM 257 CG PRO A 18 2.422 5.845 5.702 1.00 0.00 C ATOM 258 CD PRO A 18 3.046 5.756 7.107 1.00 0.00 C ATOM 0 HA PRO A 18 0.465 3.670 7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.073 4.409 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.271 5.501 5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.134 5.528 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.141 6.872 5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.125 5.608 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.877 6.670 7.676 1.00 0.00 H new ATOM 266 N ALA A 19 3.276 2.481 6.295 1.00 0.00 N ATOM 267 CA ALA A 19 3.900 1.213 5.821 1.00 0.00 C ATOM 268 C ALA A 19 3.713 0.120 6.883 1.00 0.00 C ATOM 269 O ALA A 19 3.784 -1.058 6.584 1.00 0.00 O ATOM 270 CB ALA A 19 5.393 1.439 5.577 1.00 0.00 C ATOM 0 H ALA A 19 3.934 3.210 6.571 1.00 0.00 H new ATOM 0 HA ALA A 19 3.424 0.900 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.849 0.512 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.525 2.213 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.870 1.753 6.505 1.00 0.00 H new ATOM 276 N THR A 20 3.467 0.497 8.118 1.00 0.00 N ATOM 277 CA THR A 20 3.267 -0.518 9.193 1.00 0.00 C ATOM 278 C THR A 20 1.801 -0.949 9.203 1.00 0.00 C ATOM 279 O THR A 20 1.481 -2.090 9.473 1.00 0.00 O ATOM 280 CB THR A 20 3.625 0.089 10.551 1.00 0.00 C ATOM 281 OG1 THR A 20 4.664 1.042 10.384 1.00 0.00 O ATOM 282 CG2 THR A 20 4.091 -1.018 11.497 1.00 0.00 C ATOM 0 H THR A 20 3.397 1.468 8.424 1.00 0.00 H new ATOM 0 HA THR A 20 3.908 -1.379 9.005 1.00 0.00 H new ATOM 0 HB THR A 20 2.748 0.580 10.973 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.289 1.876 10.032 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.346 -0.586 12.465 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.292 -1.748 11.625 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.968 -1.510 11.077 1.00 0.00 H new ATOM 290 N VAL A 21 0.913 -0.039 8.900 1.00 0.00 N ATOM 291 CA VAL A 21 -0.541 -0.379 8.877 1.00 0.00 C ATOM 292 C VAL A 21 -0.813 -1.295 7.689 1.00 0.00 C ATOM 293 O VAL A 21 -1.653 -2.173 7.736 1.00 0.00 O ATOM 294 CB VAL A 21 -1.363 0.895 8.709 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.846 0.579 8.912 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.920 1.941 9.738 1.00 0.00 C ATOM 0 H VAL A 21 1.133 0.929 8.666 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.815 -0.872 9.810 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.208 1.290 7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.432 1.490 8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.165 -0.158 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.999 0.179 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.511 2.848 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.068 1.548 10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.135 2.172 9.591 1.00 0.00 H new ATOM 306 N LEU A 22 -0.108 -1.072 6.618 1.00 0.00 N ATOM 307 CA LEU A 22 -0.296 -1.887 5.393 1.00 0.00 C ATOM 308 C LEU A 22 0.363 -3.257 5.558 1.00 0.00 C ATOM 309 O LEU A 22 -0.253 -4.277 5.326 1.00 0.00 O ATOM 310 CB LEU A 22 0.347 -1.149 4.228 1.00 0.00 C ATOM 311 CG LEU A 22 -0.407 0.155 3.976 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.345 0.973 2.925 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.812 -0.164 3.463 1.00 0.00 C ATOM 0 H LEU A 22 0.603 -0.345 6.541 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.360 -2.037 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.394 -0.940 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.328 -1.772 3.334 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.479 0.725 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.188 1.906 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.349 1.194 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.410 0.403 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.353 0.765 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.740 -0.729 2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.345 -0.755 4.207 1.00 0.00 H new ATOM 325 N VAL A 23 1.614 -3.291 5.950 1.00 0.00 N ATOM 326 CA VAL A 23 2.321 -4.602 6.125 1.00 0.00 C ATOM 327 C VAL A 23 1.514 -5.511 7.069 1.00 0.00 C ATOM 328 O VAL A 23 1.584 -6.722 6.987 1.00 0.00 O ATOM 329 CB VAL A 23 3.724 -4.349 6.699 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.611 -3.650 8.055 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.464 -5.680 6.875 1.00 0.00 C ATOM 0 H VAL A 23 2.178 -2.467 6.157 1.00 0.00 H new ATOM 0 HA VAL A 23 2.413 -5.099 5.159 1.00 0.00 H new ATOM 0 HB VAL A 23 4.279 -3.715 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.608 -3.473 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.095 -2.698 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.049 -4.281 8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.458 -5.493 7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.906 -6.319 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.555 -6.176 5.909 1.00 0.00 H new ATOM 341 N GLN A 24 0.750 -4.928 7.959 1.00 0.00 N ATOM 342 CA GLN A 24 -0.064 -5.744 8.907 1.00 0.00 C ATOM 343 C GLN A 24 -1.251 -6.363 8.166 1.00 0.00 C ATOM 344 O GLN A 24 -1.547 -7.531 8.323 1.00 0.00 O ATOM 345 CB GLN A 24 -0.583 -4.851 10.039 1.00 0.00 C ATOM 346 CG GLN A 24 0.564 -4.507 11.003 1.00 0.00 C ATOM 347 CD GLN A 24 0.255 -5.058 12.399 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.177 -6.256 12.588 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.078 -4.228 13.389 1.00 0.00 N ATOM 0 H GLN A 24 0.656 -3.918 8.069 1.00 0.00 H new ATOM 0 HA GLN A 24 0.558 -6.536 9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.009 -3.937 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.382 -5.360 10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.499 -4.929 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.699 -3.426 11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.144 -3.223 13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.126 -4.584 14.323 1.00 0.00 H new ATOM 358 N THR A 25 -1.935 -5.586 7.364 1.00 0.00 N ATOM 359 CA THR A 25 -3.111 -6.121 6.611 1.00 0.00 C ATOM 360 C THR A 25 -2.662 -7.253 5.683 1.00 0.00 C ATOM 361 O THR A 25 -3.134 -8.369 5.785 1.00 0.00 O ATOM 362 CB THR A 25 -3.735 -4.998 5.779 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.946 -3.861 6.603 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.071 -5.469 5.203 1.00 0.00 C ATOM 0 H THR A 25 -1.729 -4.601 7.198 1.00 0.00 H new ATOM 0 HA THR A 25 -3.846 -6.506 7.318 1.00 0.00 H new ATOM 0 HB THR A 25 -3.063 -4.735 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.034 -3.062 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.514 -4.668 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.907 -6.341 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.745 -5.734 6.017 1.00 0.00 H new ATOM 372 N ALA A 26 -1.764 -6.969 4.777 1.00 0.00 N ATOM 373 CA ALA A 26 -1.279 -8.017 3.831 1.00 0.00 C ATOM 374 C ALA A 26 -0.606 -9.154 4.607 1.00 0.00 C ATOM 375 O ALA A 26 -0.566 -10.283 4.152 1.00 0.00 O ATOM 376 CB ALA A 26 -0.270 -7.398 2.863 1.00 0.00 C ATOM 0 H ALA A 26 -1.342 -6.049 4.651 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.127 -8.417 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.086 -8.161 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.749 -6.595 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.573 -6.996 3.424 1.00 0.00 H new ATOM 382 N SER A 27 -0.076 -8.869 5.773 1.00 0.00 N ATOM 383 CA SER A 27 0.597 -9.937 6.579 1.00 0.00 C ATOM 384 C SER A 27 -0.408 -11.050 6.894 1.00 0.00 C ATOM 385 O SER A 27 -0.058 -12.212 6.976 1.00 0.00 O ATOM 386 CB SER A 27 1.124 -9.334 7.885 1.00 0.00 C ATOM 387 OG SER A 27 1.391 -10.375 8.818 1.00 0.00 O ATOM 0 H SER A 27 -0.080 -7.943 6.201 1.00 0.00 H new ATOM 0 HA SER A 27 1.429 -10.353 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.032 -8.762 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.392 -8.640 8.298 1.00 0.00 H new ATOM 0 HG SER A 27 1.729 -9.988 9.652 1.00 0.00 H new ATOM 393 N LYS A 28 -1.654 -10.694 7.070 1.00 0.00 N ATOM 394 CA LYS A 28 -2.697 -11.717 7.379 1.00 0.00 C ATOM 395 C LYS A 28 -3.075 -12.470 6.098 1.00 0.00 C ATOM 396 O LYS A 28 -3.513 -13.605 6.147 1.00 0.00 O ATOM 397 CB LYS A 28 -3.956 -11.040 7.953 1.00 0.00 C ATOM 398 CG LYS A 28 -3.587 -9.943 8.967 1.00 0.00 C ATOM 399 CD LYS A 28 -2.692 -10.513 10.073 1.00 0.00 C ATOM 400 CE LYS A 28 -2.859 -9.677 11.345 1.00 0.00 C ATOM 401 NZ LYS A 28 -2.369 -10.450 12.522 1.00 0.00 N ATOM 0 H LYS A 28 -1.995 -9.735 7.013 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.295 -12.413 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.541 -10.607 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.586 -11.788 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.072 -9.128 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.493 -9.524 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.956 -11.552 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.650 -10.504 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.304 -8.744 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.907 -9.412 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.484 -9.880 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.917 -11.329 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.364 -10.681 12.391 1.00 0.00 H new ATOM 415 N TYR A 29 -2.913 -11.847 4.955 1.00 0.00 N ATOM 416 CA TYR A 29 -3.269 -12.526 3.672 1.00 0.00 C ATOM 417 C TYR A 29 -2.056 -13.286 3.137 1.00 0.00 C ATOM 418 O TYR A 29 -0.996 -12.726 2.932 1.00 0.00 O ATOM 419 CB TYR A 29 -3.725 -11.481 2.649 1.00 0.00 C ATOM 420 CG TYR A 29 -4.971 -10.807 3.169 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.206 -11.460 3.081 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.889 -9.540 3.755 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.360 -10.843 3.577 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.043 -8.923 4.254 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.279 -9.575 4.164 1.00 0.00 C ATOM 426 OH TYR A 29 -8.417 -8.971 4.658 1.00 0.00 O ATOM 0 H TYR A 29 -2.550 -10.899 4.857 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.080 -13.232 3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.938 -10.745 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.925 -11.955 1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.268 -12.440 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.936 -9.037 3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.313 -11.345 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.980 -7.945 4.708 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.179 -8.389 5.410 1.00 0.00 H new ATOM 436 N ASP A 30 -2.212 -14.566 2.913 1.00 0.00 N ATOM 437 CA ASP A 30 -1.082 -15.390 2.392 1.00 0.00 C ATOM 438 C ASP A 30 -0.664 -14.887 1.007 1.00 0.00 C ATOM 439 O ASP A 30 0.458 -15.086 0.583 1.00 0.00 O ATOM 440 CB ASP A 30 -1.526 -16.850 2.289 1.00 0.00 C ATOM 441 CG ASP A 30 -1.846 -17.386 3.686 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.055 -17.149 4.585 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.875 -18.023 3.834 1.00 0.00 O ATOM 0 H ASP A 30 -3.080 -15.078 3.070 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.235 -15.309 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.404 -16.930 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.740 -17.449 1.829 1.00 0.00 H new ATOM 448 N ALA A 31 -1.557 -14.237 0.299 1.00 0.00 N ATOM 449 CA ALA A 31 -1.213 -13.722 -1.060 1.00 0.00 C ATOM 450 C ALA A 31 -0.034 -12.751 -0.963 1.00 0.00 C ATOM 451 O ALA A 31 0.066 -11.974 -0.033 1.00 0.00 O ATOM 452 CB ALA A 31 -2.425 -12.995 -1.649 1.00 0.00 C ATOM 0 H ALA A 31 -2.510 -14.042 0.606 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.938 -14.558 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.176 -12.618 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.264 -13.687 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.699 -12.161 -1.002 1.00 0.00 H new ATOM 458 N ASP A 32 0.857 -12.792 -1.921 1.00 0.00 N ATOM 459 CA ASP A 32 2.032 -11.877 -1.897 1.00 0.00 C ATOM 460 C ASP A 32 1.674 -10.579 -2.619 1.00 0.00 C ATOM 461 O ASP A 32 1.711 -10.502 -3.834 1.00 0.00 O ATOM 462 CB ASP A 32 3.215 -12.544 -2.602 1.00 0.00 C ATOM 463 CG ASP A 32 3.670 -13.762 -1.794 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.213 -13.565 -0.719 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.468 -14.869 -2.264 1.00 0.00 O ATOM 0 H ASP A 32 0.819 -13.424 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 32 2.304 -11.659 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.928 -12.849 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.037 -11.835 -2.706 1.00 0.00 H new ATOM 470 N VAL A 33 1.322 -9.559 -1.878 1.00 0.00 N ATOM 471 CA VAL A 33 0.954 -8.259 -2.508 1.00 0.00 C ATOM 472 C VAL A 33 2.210 -7.391 -2.653 1.00 0.00 C ATOM 473 O VAL A 33 3.074 -7.393 -1.796 1.00 0.00 O ATOM 474 CB VAL A 33 -0.092 -7.551 -1.631 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.341 -8.439 -1.491 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.494 -7.282 -0.241 1.00 0.00 C ATOM 0 H VAL A 33 1.274 -9.573 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 33 0.529 -8.429 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.367 -6.606 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.079 -7.933 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.766 -8.628 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.064 -9.386 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.251 -6.780 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.775 -8.227 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.375 -6.647 -0.334 1.00 0.00 H new ATOM 486 N ASN A 34 2.322 -6.660 -3.734 1.00 0.00 N ATOM 487 CA ASN A 34 3.528 -5.801 -3.941 1.00 0.00 C ATOM 488 C ASN A 34 3.105 -4.391 -4.358 1.00 0.00 C ATOM 489 O ASN A 34 2.282 -4.214 -5.238 1.00 0.00 O ATOM 490 CB ASN A 34 4.401 -6.410 -5.040 1.00 0.00 C ATOM 491 CG ASN A 34 4.906 -7.782 -4.593 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.513 -7.908 -3.548 1.00 0.00 O ATOM 493 ND2 ASN A 34 4.681 -8.824 -5.346 1.00 0.00 N ATOM 0 H ASN A 34 1.630 -6.621 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 34 4.089 -5.745 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.828 -6.505 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.244 -5.753 -5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.015 -9.744 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.171 -8.719 -6.223 1.00 0.00 H new ATOM 500 N LEU A 35 3.674 -3.388 -3.738 1.00 0.00 N ATOM 501 CA LEU A 35 3.326 -1.982 -4.096 1.00 0.00 C ATOM 502 C LEU A 35 4.266 -1.502 -5.207 1.00 0.00 C ATOM 503 O LEU A 35 5.408 -1.917 -5.282 1.00 0.00 O ATOM 504 CB LEU A 35 3.491 -1.085 -2.863 1.00 0.00 C ATOM 505 CG LEU A 35 2.954 0.326 -3.166 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.885 0.708 -2.138 1.00 0.00 C ATOM 507 CD2 LEU A 35 4.101 1.341 -3.103 1.00 0.00 C ATOM 0 H LEU A 35 4.367 -3.485 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 35 2.293 -1.934 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.955 -1.514 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.542 -1.031 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 35 2.516 0.331 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.509 1.707 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.064 -0.007 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.320 0.696 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.717 2.338 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.543 1.329 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.860 1.078 -3.840 1.00 0.00 H new ATOM 519 N GLU A 36 3.792 -0.643 -6.075 1.00 0.00 N ATOM 520 CA GLU A 36 4.653 -0.143 -7.189 1.00 0.00 C ATOM 521 C GLU A 36 4.769 1.381 -7.114 1.00 0.00 C ATOM 522 O GLU A 36 3.780 2.083 -7.033 1.00 0.00 O ATOM 523 CB GLU A 36 4.023 -0.540 -8.527 1.00 0.00 C ATOM 524 CG GLU A 36 4.997 -0.231 -9.666 1.00 0.00 C ATOM 525 CD GLU A 36 4.824 -1.264 -10.780 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.920 -2.445 -10.487 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.598 -0.858 -11.908 1.00 0.00 O ATOM 0 H GLU A 36 2.844 -0.266 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 36 5.647 -0.581 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.777 -1.602 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.090 0.003 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.814 0.771 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.022 -0.247 -9.296 1.00 0.00 H new ATOM 534 N TYR A 37 5.974 1.897 -7.145 1.00 0.00 N ATOM 535 CA TYR A 37 6.160 3.377 -7.082 1.00 0.00 C ATOM 536 C TYR A 37 7.548 3.746 -7.611 1.00 0.00 C ATOM 537 O TYR A 37 8.529 3.090 -7.319 1.00 0.00 O ATOM 538 CB TYR A 37 6.027 3.853 -5.634 1.00 0.00 C ATOM 539 CG TYR A 37 5.989 5.361 -5.605 1.00 0.00 C ATOM 540 CD1 TYR A 37 4.889 6.044 -6.139 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.054 6.078 -5.047 1.00 0.00 C ATOM 542 CE1 TYR A 37 4.854 7.443 -6.114 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.019 7.478 -5.022 1.00 0.00 C ATOM 544 CZ TYR A 37 5.919 8.160 -5.556 1.00 0.00 C ATOM 545 OH TYR A 37 5.885 9.539 -5.532 1.00 0.00 O ATOM 0 H TYR A 37 6.836 1.355 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 37 5.398 3.858 -7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.119 3.447 -5.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.865 3.488 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.068 5.491 -6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.903 5.552 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.005 7.969 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.840 8.031 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 37 6.701 9.879 -5.109 1.00 0.00 H new ATOM 555 N ASN A 38 7.634 4.801 -8.384 1.00 0.00 N ATOM 556 CA ASN A 38 8.954 5.235 -8.939 1.00 0.00 C ATOM 557 C ASN A 38 9.526 4.133 -9.836 1.00 0.00 C ATOM 558 O ASN A 38 10.720 3.902 -9.860 1.00 0.00 O ATOM 559 CB ASN A 38 9.928 5.526 -7.783 1.00 0.00 C ATOM 560 CG ASN A 38 10.486 6.946 -7.915 1.00 0.00 C ATOM 561 OD1 ASN A 38 10.060 7.846 -7.218 1.00 0.00 O ATOM 562 ND2 ASN A 38 11.428 7.186 -8.786 1.00 0.00 N ATOM 0 H ASN A 38 6.842 5.383 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 38 8.817 6.140 -9.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.415 5.415 -6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.744 4.803 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.806 8.128 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.786 6.431 -9.371 1.00 0.00 H new ATOM 569 N GLY A 39 8.682 3.454 -10.573 1.00 0.00 N ATOM 570 CA GLY A 39 9.170 2.366 -11.475 1.00 0.00 C ATOM 571 C GLY A 39 9.882 1.286 -10.654 1.00 0.00 C ATOM 572 O GLY A 39 10.762 0.603 -11.144 1.00 0.00 O ATOM 0 H GLY A 39 7.674 3.607 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.332 1.929 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.852 2.778 -12.219 1.00 0.00 H new ATOM 576 N LYS A 40 9.505 1.130 -9.410 1.00 0.00 N ATOM 577 CA LYS A 40 10.152 0.097 -8.550 1.00 0.00 C ATOM 578 C LYS A 40 9.076 -0.845 -8.007 1.00 0.00 C ATOM 579 O LYS A 40 7.895 -0.580 -8.128 1.00 0.00 O ATOM 580 CB LYS A 40 10.871 0.780 -7.383 1.00 0.00 C ATOM 581 CG LYS A 40 11.828 1.844 -7.925 1.00 0.00 C ATOM 582 CD LYS A 40 13.065 1.924 -7.029 1.00 0.00 C ATOM 583 CE LYS A 40 14.025 2.981 -7.579 1.00 0.00 C ATOM 584 NZ LYS A 40 15.416 2.665 -7.145 1.00 0.00 N ATOM 0 H LYS A 40 8.775 1.676 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 40 10.876 -0.470 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.144 1.238 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.423 0.042 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.121 1.598 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.329 2.812 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.773 2.177 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.560 0.954 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.969 3.007 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.737 3.970 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.068 3.384 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.463 2.662 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.688 1.729 -7.507 1.00 0.00 H new ATOM 598 N THR A 41 9.473 -1.943 -7.413 1.00 0.00 N ATOM 599 CA THR A 41 8.468 -2.902 -6.867 1.00 0.00 C ATOM 600 C THR A 41 8.972 -3.492 -5.549 1.00 0.00 C ATOM 601 O THR A 41 9.814 -4.370 -5.534 1.00 0.00 O ATOM 602 CB THR A 41 8.240 -4.031 -7.876 1.00 0.00 C ATOM 603 OG1 THR A 41 7.894 -3.474 -9.137 1.00 0.00 O ATOM 604 CG2 THR A 41 7.106 -4.938 -7.387 1.00 0.00 C ATOM 0 H THR A 41 10.448 -2.215 -7.284 1.00 0.00 H new ATOM 0 HA THR A 41 7.531 -2.375 -6.688 1.00 0.00 H new ATOM 0 HB THR A 41 9.153 -4.619 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.749 -4.195 -9.785 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.946 -5.741 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.373 -5.365 -6.421 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.191 -4.354 -7.285 1.00 0.00 H new ATOM 612 N VAL A 42 8.445 -3.027 -4.446 1.00 0.00 N ATOM 613 CA VAL A 42 8.872 -3.569 -3.119 1.00 0.00 C ATOM 614 C VAL A 42 7.741 -4.404 -2.533 1.00 0.00 C ATOM 615 O VAL A 42 6.576 -4.096 -2.705 1.00 0.00 O ATOM 616 CB VAL A 42 9.200 -2.444 -2.120 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.655 -2.009 -2.283 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.274 -1.236 -2.332 1.00 0.00 C ATOM 0 H VAL A 42 7.736 -2.294 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 42 9.768 -4.168 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 42 9.045 -2.828 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.879 -1.213 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.312 -2.858 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.814 -1.645 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.525 -0.455 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.401 -0.853 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.238 -1.542 -2.187 1.00 0.00 H new ATOM 628 N ASN A 43 8.078 -5.442 -1.818 1.00 0.00 N ATOM 629 CA ASN A 43 7.029 -6.285 -1.187 1.00 0.00 C ATOM 630 C ASN A 43 6.380 -5.462 -0.079 1.00 0.00 C ATOM 631 O ASN A 43 7.051 -4.708 0.601 1.00 0.00 O ATOM 632 CB ASN A 43 7.670 -7.536 -0.584 1.00 0.00 C ATOM 633 CG ASN A 43 6.582 -8.562 -0.258 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.462 -8.202 0.047 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.866 -9.834 -0.312 1.00 0.00 N ATOM 0 H ASN A 43 9.037 -5.742 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 43 6.288 -6.591 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.389 -7.962 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.221 -7.275 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.148 -10.526 -0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.806 -10.136 -0.568 1.00 0.00 H new ATOM 642 N LEU A 44 5.090 -5.588 0.114 1.00 0.00 N ATOM 643 CA LEU A 44 4.434 -4.789 1.189 1.00 0.00 C ATOM 644 C LEU A 44 4.973 -5.200 2.561 1.00 0.00 C ATOM 645 O LEU A 44 4.778 -4.501 3.539 1.00 0.00 O ATOM 646 CB LEU A 44 2.926 -4.977 1.163 1.00 0.00 C ATOM 647 CG LEU A 44 2.301 -3.893 2.040 1.00 0.00 C ATOM 648 CD1 LEU A 44 2.077 -2.632 1.212 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.986 -4.400 2.618 1.00 0.00 C ATOM 0 H LEU A 44 4.472 -6.201 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 44 4.661 -3.738 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.550 -4.905 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.659 -5.967 1.532 1.00 0.00 H new ATOM 0 HG LEU A 44 2.973 -3.652 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.631 -1.860 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.032 -2.278 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.408 -2.856 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.541 -3.626 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.303 -4.647 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.172 -5.290 3.219 1.00 0.00 H new ATOM 661 N LYS A 45 5.672 -6.304 2.653 1.00 0.00 N ATOM 662 CA LYS A 45 6.242 -6.711 3.965 1.00 0.00 C ATOM 663 C LYS A 45 7.622 -6.055 4.106 1.00 0.00 C ATOM 664 O LYS A 45 8.597 -6.703 4.438 1.00 0.00 O ATOM 665 CB LYS A 45 6.377 -8.237 4.016 1.00 0.00 C ATOM 666 CG LYS A 45 4.986 -8.873 3.990 1.00 0.00 C ATOM 667 CD LYS A 45 5.045 -10.202 3.234 1.00 0.00 C ATOM 668 CE LYS A 45 3.676 -10.501 2.619 1.00 0.00 C ATOM 669 NZ LYS A 45 3.728 -11.805 1.900 1.00 0.00 N ATOM 0 H LYS A 45 5.870 -6.936 1.877 1.00 0.00 H new ATOM 0 HA LYS A 45 5.591 -6.394 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.966 -8.589 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.908 -8.536 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.631 -9.037 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.276 -8.200 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.804 -10.155 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.334 -11.005 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.915 -10.534 3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.393 -9.705 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.798 -12.008 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.443 -11.758 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.979 -12.561 2.569 1.00 0.00 H new ATOM 683 N SER A 46 7.709 -4.767 3.848 1.00 0.00 N ATOM 684 CA SER A 46 9.024 -4.065 3.957 1.00 0.00 C ATOM 685 C SER A 46 8.780 -2.605 4.337 1.00 0.00 C ATOM 686 O SER A 46 8.760 -1.730 3.493 1.00 0.00 O ATOM 687 CB SER A 46 9.763 -4.137 2.614 1.00 0.00 C ATOM 688 OG SER A 46 11.082 -3.633 2.780 1.00 0.00 O ATOM 0 H SER A 46 6.926 -4.177 3.568 1.00 0.00 H new ATOM 0 HA SER A 46 9.634 -4.545 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.796 -5.167 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.231 -3.556 1.861 1.00 0.00 H new ATOM 0 HG SER A 46 11.559 -3.678 1.925 1.00 0.00 H new ATOM 694 N ILE A 47 8.590 -2.343 5.603 1.00 0.00 N ATOM 695 CA ILE A 47 8.336 -0.944 6.056 1.00 0.00 C ATOM 696 C ILE A 47 9.563 -0.079 5.759 1.00 0.00 C ATOM 697 O ILE A 47 9.443 1.050 5.324 1.00 0.00 O ATOM 698 CB ILE A 47 8.046 -0.932 7.558 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.899 -1.917 7.853 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.644 0.489 7.981 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.509 -1.852 9.333 1.00 0.00 C ATOM 0 H ILE A 47 8.600 -3.041 6.346 1.00 0.00 H new ATOM 0 HA ILE A 47 7.474 -0.543 5.523 1.00 0.00 H new ATOM 0 HB ILE A 47 8.932 -1.233 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.036 -1.677 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.206 -2.931 7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.436 0.505 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.458 1.179 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.752 0.793 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.697 -2.553 9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.370 -2.114 9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.182 -0.842 9.579 1.00 0.00 H new ATOM 713 N MET A 48 10.740 -0.603 5.991 1.00 0.00 N ATOM 714 CA MET A 48 11.979 0.179 5.725 1.00 0.00 C ATOM 715 C MET A 48 12.169 0.334 4.214 1.00 0.00 C ATOM 716 O MET A 48 12.728 1.309 3.747 1.00 0.00 O ATOM 717 CB MET A 48 13.180 -0.555 6.321 1.00 0.00 C ATOM 718 CG MET A 48 14.415 0.340 6.238 1.00 0.00 C ATOM 719 SD MET A 48 14.447 1.459 7.660 1.00 0.00 S ATOM 720 CE MET A 48 16.157 1.142 8.160 1.00 0.00 C ATOM 0 H MET A 48 10.894 -1.543 6.355 1.00 0.00 H new ATOM 0 HA MET A 48 11.894 1.165 6.182 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.979 -0.821 7.359 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.355 -1.486 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.318 -0.270 6.221 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.400 0.913 5.311 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.396 1.741 9.038 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.276 0.085 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.830 1.408 7.345 1.00 0.00 H new ATOM 730 N GLY A 49 11.707 -0.623 3.447 1.00 0.00 N ATOM 731 CA GLY A 49 11.856 -0.541 1.965 1.00 0.00 C ATOM 732 C GLY A 49 10.942 0.558 1.418 1.00 0.00 C ATOM 733 O GLY A 49 11.240 1.179 0.415 1.00 0.00 O ATOM 0 H GLY A 49 11.232 -1.459 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.893 -0.329 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.603 -1.499 1.510 1.00 0.00 H new ATOM 737 N VAL A 50 9.833 0.801 2.070 1.00 0.00 N ATOM 738 CA VAL A 50 8.896 1.860 1.593 1.00 0.00 C ATOM 739 C VAL A 50 9.391 3.228 2.071 1.00 0.00 C ATOM 740 O VAL A 50 9.189 4.232 1.415 1.00 0.00 O ATOM 741 CB VAL A 50 7.494 1.595 2.155 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.509 2.612 1.571 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.048 0.175 1.782 1.00 0.00 C ATOM 0 H VAL A 50 9.537 0.310 2.914 1.00 0.00 H new ATOM 0 HA VAL A 50 8.856 1.848 0.504 1.00 0.00 H new ATOM 0 HB VAL A 50 7.515 1.692 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.512 2.424 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.824 3.620 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.489 2.517 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.051 -0.010 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.028 0.073 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.748 -0.548 2.201 1.00 0.00 H new ATOM 753 N VAL A 51 10.038 3.270 3.209 1.00 0.00 N ATOM 754 CA VAL A 51 10.551 4.569 3.736 1.00 0.00 C ATOM 755 C VAL A 51 11.715 5.046 2.866 1.00 0.00 C ATOM 756 O VAL A 51 11.926 6.232 2.695 1.00 0.00 O ATOM 757 CB VAL A 51 11.029 4.380 5.180 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.460 5.729 5.760 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.889 3.805 6.027 1.00 0.00 C ATOM 0 H VAL A 51 10.233 2.459 3.796 1.00 0.00 H new ATOM 0 HA VAL A 51 9.755 5.313 3.714 1.00 0.00 H new ATOM 0 HB VAL A 51 11.875 3.692 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.799 5.592 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.273 6.140 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.615 6.418 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.230 3.671 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.043 4.492 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.582 2.842 5.618 1.00 0.00 H new ATOM 769 N SER A 52 12.470 4.129 2.314 1.00 0.00 N ATOM 770 CA SER A 52 13.623 4.520 1.451 1.00 0.00 C ATOM 771 C SER A 52 13.105 5.255 0.212 1.00 0.00 C ATOM 772 O SER A 52 13.716 6.196 -0.260 1.00 0.00 O ATOM 773 CB SER A 52 14.387 3.268 1.019 1.00 0.00 C ATOM 774 OG SER A 52 13.471 2.195 0.845 1.00 0.00 O ATOM 0 H SER A 52 12.336 3.124 2.425 1.00 0.00 H new ATOM 0 HA SER A 52 14.290 5.175 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.923 3.458 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.133 3.006 1.769 1.00 0.00 H new ATOM 0 HG SER A 52 12.651 2.530 0.426 1.00 0.00 H new ATOM 780 N LEU A 53 11.984 4.832 -0.314 1.00 0.00 N ATOM 781 CA LEU A 53 11.417 5.501 -1.524 1.00 0.00 C ATOM 782 C LEU A 53 11.084 6.958 -1.193 1.00 0.00 C ATOM 783 O LEU A 53 11.411 7.861 -1.938 1.00 0.00 O ATOM 784 CB LEU A 53 10.143 4.775 -1.962 1.00 0.00 C ATOM 785 CG LEU A 53 10.469 3.316 -2.283 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.171 2.517 -2.406 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.236 3.246 -3.605 1.00 0.00 C ATOM 0 H LEU A 53 11.435 4.050 0.043 1.00 0.00 H new ATOM 0 HA LEU A 53 12.149 5.469 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.394 4.825 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.716 5.264 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 53 11.079 2.896 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.404 1.477 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.622 2.567 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.560 2.936 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.469 2.207 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.624 3.666 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.162 3.815 -3.519 1.00 0.00 H new ATOM 799 N GLY A 54 10.436 7.187 -0.080 1.00 0.00 N ATOM 800 CA GLY A 54 10.076 8.583 0.310 1.00 0.00 C ATOM 801 C GLY A 54 8.929 9.081 -0.570 1.00 0.00 C ATOM 802 O GLY A 54 9.115 9.927 -1.425 1.00 0.00 O ATOM 0 H GLY A 54 10.140 6.465 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.783 8.614 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.942 9.237 0.201 1.00 0.00 H new ATOM 806 N ILE A 55 7.745 8.562 -0.364 1.00 0.00 N ATOM 807 CA ILE A 55 6.577 9.001 -1.183 1.00 0.00 C ATOM 808 C ILE A 55 5.979 10.269 -0.575 1.00 0.00 C ATOM 809 O ILE A 55 6.236 10.600 0.567 1.00 0.00 O ATOM 810 CB ILE A 55 5.521 7.893 -1.201 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.165 6.586 -1.671 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.392 8.278 -2.161 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.152 5.443 -1.553 1.00 0.00 C ATOM 0 H ILE A 55 7.538 7.852 0.338 1.00 0.00 H new ATOM 0 HA ILE A 55 6.903 9.206 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 55 5.115 7.761 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.499 6.684 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.048 6.367 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.640 7.489 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.934 9.210 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.797 8.410 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.612 4.513 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.840 5.340 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.283 5.662 -2.173 1.00 0.00 H new ATOM 825 N ALA A 56 5.189 10.984 -1.335 1.00 0.00 N ATOM 826 CA ALA A 56 4.576 12.239 -0.813 1.00 0.00 C ATOM 827 C ALA A 56 3.213 12.460 -1.476 1.00 0.00 C ATOM 828 O ALA A 56 2.730 11.622 -2.213 1.00 0.00 O ATOM 829 CB ALA A 56 5.500 13.416 -1.128 1.00 0.00 C ATOM 0 H ALA A 56 4.943 10.751 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 56 4.439 12.160 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.058 14.337 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.468 13.256 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.634 13.495 -2.207 1.00 0.00 H new ATOM 835 N LYS A 57 2.595 13.583 -1.213 1.00 0.00 N ATOM 836 CA LYS A 57 1.260 13.869 -1.818 1.00 0.00 C ATOM 837 C LYS A 57 1.389 13.940 -3.343 1.00 0.00 C ATOM 838 O LYS A 57 2.422 14.308 -3.872 1.00 0.00 O ATOM 839 CB LYS A 57 0.731 15.205 -1.283 1.00 0.00 C ATOM 840 CG LYS A 57 1.726 16.328 -1.598 1.00 0.00 C ATOM 841 CD LYS A 57 1.163 17.666 -1.110 1.00 0.00 C ATOM 842 CE LYS A 57 -0.110 18.016 -1.891 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.276 18.014 -0.962 1.00 0.00 N ATOM 0 H LYS A 57 2.959 14.316 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 57 0.565 13.072 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.236 15.429 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.574 15.138 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.682 16.126 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.914 16.371 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.942 17.610 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.907 18.452 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.005 18.995 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.268 17.295 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.140 18.251 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.378 17.071 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.124 18.718 -0.212 1.00 0.00 H new ATOM 857 N GLY A 58 0.344 13.591 -4.049 1.00 0.00 N ATOM 858 CA GLY A 58 0.389 13.636 -5.540 1.00 0.00 C ATOM 859 C GLY A 58 1.263 12.495 -6.062 1.00 0.00 C ATOM 860 O GLY A 58 2.282 12.720 -6.687 1.00 0.00 O ATOM 0 H GLY A 58 -0.542 13.276 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.619 13.551 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.787 14.594 -5.873 1.00 0.00 H new ATOM 864 N ALA A 59 0.869 11.273 -5.810 1.00 0.00 N ATOM 865 CA ALA A 59 1.672 10.109 -6.289 1.00 0.00 C ATOM 866 C ALA A 59 0.734 8.975 -6.707 1.00 0.00 C ATOM 867 O ALA A 59 -0.438 8.976 -6.381 1.00 0.00 O ATOM 868 CB ALA A 59 2.591 9.628 -5.163 1.00 0.00 C ATOM 0 H ALA A 59 0.024 11.031 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 59 2.274 10.411 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.178 8.778 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.261 10.436 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.989 9.327 -4.306 1.00 0.00 H new ATOM 874 N GLU A 60 1.245 8.009 -7.426 1.00 0.00 N ATOM 875 CA GLU A 60 0.396 6.867 -7.871 1.00 0.00 C ATOM 876 C GLU A 60 1.055 5.554 -7.441 1.00 0.00 C ATOM 877 O GLU A 60 2.188 5.277 -7.784 1.00 0.00 O ATOM 878 CB GLU A 60 0.258 6.895 -9.395 1.00 0.00 C ATOM 879 CG GLU A 60 -0.960 7.736 -9.783 1.00 0.00 C ATOM 880 CD GLU A 60 -0.521 9.176 -10.053 1.00 0.00 C ATOM 881 OE1 GLU A 60 0.357 9.648 -9.350 1.00 0.00 O ATOM 882 OE2 GLU A 60 -1.070 9.783 -10.957 1.00 0.00 O ATOM 0 H GLU A 60 2.219 7.963 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.592 6.947 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.159 7.312 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.150 5.881 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.437 7.318 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.700 7.714 -8.983 1.00 0.00 H new ATOM 889 N ILE A 61 0.349 4.747 -6.690 1.00 0.00 N ATOM 890 CA ILE A 61 0.924 3.449 -6.227 1.00 0.00 C ATOM 891 C ILE A 61 0.093 2.296 -6.796 1.00 0.00 C ATOM 892 O ILE A 61 -1.119 2.293 -6.708 1.00 0.00 O ATOM 893 CB ILE A 61 0.911 3.401 -4.694 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.499 3.729 -4.179 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.912 4.425 -4.147 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.542 3.621 -2.651 1.00 0.00 C ATOM 0 H ILE A 61 -0.604 4.933 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 61 1.952 3.356 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 61 1.191 2.403 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.782 4.735 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.224 3.044 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.906 4.394 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.911 4.187 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.632 5.423 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.546 3.856 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.279 2.607 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.169 4.324 -2.216 1.00 0.00 H new ATOM 908 N THR A 62 0.739 1.322 -7.387 1.00 0.00 N ATOM 909 CA THR A 62 -0.006 0.169 -7.974 1.00 0.00 C ATOM 910 C THR A 62 0.230 -1.084 -7.130 1.00 0.00 C ATOM 911 O THR A 62 1.336 -1.585 -7.042 1.00 0.00 O ATOM 912 CB THR A 62 0.485 -0.079 -9.402 1.00 0.00 C ATOM 913 OG1 THR A 62 0.916 1.149 -9.973 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.652 -0.663 -10.241 1.00 0.00 C ATOM 0 H THR A 62 1.753 1.277 -7.488 1.00 0.00 H new ATOM 0 HA THR A 62 -1.072 0.398 -7.987 1.00 0.00 H new ATOM 0 HB THR A 62 1.317 -0.783 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.232 0.992 -10.887 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.301 -0.839 -11.258 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.981 -1.605 -9.803 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.486 0.038 -10.262 1.00 0.00 H new ATOM 922 N ILE A 63 -0.805 -1.596 -6.515 1.00 0.00 N ATOM 923 CA ILE A 63 -0.656 -2.821 -5.678 1.00 0.00 C ATOM 924 C ILE A 63 -1.171 -4.032 -6.462 1.00 0.00 C ATOM 925 O ILE A 63 -2.060 -3.916 -7.283 1.00 0.00 O ATOM 926 CB ILE A 63 -1.465 -2.650 -4.386 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.941 -1.428 -3.626 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.317 -3.897 -3.507 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.827 -1.160 -2.408 1.00 0.00 C ATOM 0 H ILE A 63 -1.750 -1.216 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 63 0.393 -2.976 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.517 -2.512 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.088 -1.598 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.933 -0.557 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.894 -3.768 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.685 -4.769 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.266 -4.042 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.452 -0.290 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.849 -0.970 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.813 -2.028 -1.749 1.00 0.00 H new ATOM 941 N SER A 64 -0.614 -5.190 -6.212 1.00 0.00 N ATOM 942 CA SER A 64 -1.062 -6.414 -6.939 1.00 0.00 C ATOM 943 C SER A 64 -0.938 -7.632 -6.022 1.00 0.00 C ATOM 944 O SER A 64 0.150 -8.087 -5.723 1.00 0.00 O ATOM 945 CB SER A 64 -0.186 -6.617 -8.175 1.00 0.00 C ATOM 946 OG SER A 64 1.180 -6.474 -7.812 1.00 0.00 O ATOM 0 H SER A 64 0.133 -5.340 -5.534 1.00 0.00 H new ATOM 0 HA SER A 64 -2.102 -6.295 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.360 -7.606 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.448 -5.890 -8.944 1.00 0.00 H new ATOM 0 HG SER A 64 1.349 -6.958 -6.977 1.00 0.00 H new ATOM 952 N ALA A 65 -2.049 -8.166 -5.581 1.00 0.00 N ATOM 953 CA ALA A 65 -2.011 -9.362 -4.689 1.00 0.00 C ATOM 954 C ALA A 65 -2.036 -10.625 -5.552 1.00 0.00 C ATOM 955 O ALA A 65 -2.850 -10.756 -6.447 1.00 0.00 O ATOM 956 CB ALA A 65 -3.234 -9.351 -3.769 1.00 0.00 C ATOM 0 H ALA A 65 -2.984 -7.823 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.104 -9.344 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.207 -10.224 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.225 -8.445 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.142 -9.376 -4.371 1.00 0.00 H new ATOM 962 N SER A 66 -1.147 -11.553 -5.295 1.00 0.00 N ATOM 963 CA SER A 66 -1.115 -12.807 -6.106 1.00 0.00 C ATOM 964 C SER A 66 -0.999 -14.019 -5.178 1.00 0.00 C ATOM 965 O SER A 66 0.043 -14.274 -4.607 1.00 0.00 O ATOM 966 CB SER A 66 0.081 -12.777 -7.056 1.00 0.00 C ATOM 967 OG SER A 66 0.454 -11.428 -7.310 1.00 0.00 O ATOM 0 H SER A 66 -0.443 -11.495 -4.559 1.00 0.00 H new ATOM 0 HA SER A 66 -2.035 -12.881 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.919 -13.321 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.171 -13.277 -7.991 1.00 0.00 H new ATOM 0 HG SER A 66 1.222 -11.410 -7.918 1.00 0.00 H new ATOM 973 N GLY A 67 -2.063 -14.768 -5.031 1.00 0.00 N ATOM 974 CA GLY A 67 -2.023 -15.968 -4.145 1.00 0.00 C ATOM 975 C GLY A 67 -3.421 -16.582 -4.044 1.00 0.00 C ATOM 976 O GLY A 67 -4.186 -16.564 -4.991 1.00 0.00 O ATOM 0 H GLY A 67 -2.959 -14.598 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.321 -16.701 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.666 -15.688 -3.154 1.00 0.00 H new ATOM 980 N ALA A 68 -3.756 -17.127 -2.902 1.00 0.00 N ATOM 981 CA ALA A 68 -5.101 -17.748 -2.726 1.00 0.00 C ATOM 982 C ALA A 68 -6.139 -16.658 -2.451 1.00 0.00 C ATOM 983 O ALA A 68 -7.046 -16.442 -3.233 1.00 0.00 O ATOM 984 CB ALA A 68 -5.060 -18.720 -1.546 1.00 0.00 C ATOM 0 H ALA A 68 -3.152 -17.168 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.373 -18.285 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.042 -19.175 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.322 -19.498 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.787 -18.180 -0.639 1.00 0.00 H new ATOM 990 N ASP A 69 -6.012 -15.970 -1.344 1.00 0.00 N ATOM 991 CA ASP A 69 -6.987 -14.891 -1.008 1.00 0.00 C ATOM 992 C ASP A 69 -6.434 -13.540 -1.473 1.00 0.00 C ATOM 993 O ASP A 69 -6.494 -12.553 -0.760 1.00 0.00 O ATOM 994 CB ASP A 69 -7.213 -14.863 0.506 1.00 0.00 C ATOM 995 CG ASP A 69 -5.866 -14.735 1.223 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.237 -13.701 1.079 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.488 -15.675 1.902 1.00 0.00 O ATOM 0 H ASP A 69 -5.272 -16.111 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.934 -15.085 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.859 -14.027 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.721 -15.773 0.825 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.896 -13.492 -2.664 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.333 -12.212 -3.190 1.00 0.00 C ATOM 1004 C GLU A 70 -6.442 -11.162 -3.299 1.00 0.00 C ATOM 1005 O GLU A 70 -6.205 -9.981 -3.135 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.716 -12.455 -4.573 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.768 -13.042 -5.518 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.166 -13.202 -6.914 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.604 -12.240 -7.410 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.275 -14.286 -7.464 1.00 0.00 O ATOM 0 H GLU A 70 -5.822 -14.288 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.564 -11.850 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.332 -11.519 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.870 -13.137 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.109 -14.007 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.640 -12.390 -5.559 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.649 -11.585 -3.578 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.778 -10.617 -3.704 1.00 0.00 C ATOM 1019 C ASN A 71 -9.140 -10.068 -2.321 1.00 0.00 C ATOM 1020 O ASN A 71 -9.543 -8.927 -2.179 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.995 -11.328 -4.302 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.867 -11.365 -5.826 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.228 -10.421 -6.500 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.366 -12.424 -6.401 1.00 0.00 N ATOM 0 H ASN A 71 -7.901 -12.563 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.479 -9.795 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.067 -12.342 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.910 -10.809 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.277 -12.459 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.063 -13.216 -5.835 1.00 0.00 H new ATOM 1031 N ASP A 72 -9.000 -10.875 -1.301 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.334 -10.414 0.077 1.00 0.00 C ATOM 1033 C ASP A 72 -8.225 -9.500 0.609 1.00 0.00 C ATOM 1034 O ASP A 72 -8.451 -8.688 1.486 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.476 -11.628 0.997 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.583 -12.542 0.470 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.286 -13.382 -0.363 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.712 -12.386 0.908 1.00 0.00 O ATOM 0 H ASP A 72 -8.667 -11.837 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.272 -9.859 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.533 -12.173 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.710 -11.304 2.011 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.028 -9.631 0.094 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.907 -8.778 0.581 1.00 0.00 C ATOM 1045 C ALA A 73 -5.962 -7.395 -0.076 1.00 0.00 C ATOM 1046 O ALA A 73 -5.729 -6.392 0.572 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.572 -9.446 0.244 1.00 0.00 C ATOM 0 H ALA A 73 -6.781 -10.292 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.000 -8.661 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.753 -8.822 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.521 -10.422 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.490 -9.571 -0.836 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.249 -7.329 -1.354 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.291 -6.002 -2.040 1.00 0.00 C ATOM 1055 C LEU A 74 -7.415 -5.136 -1.460 1.00 0.00 C ATOM 1056 O LEU A 74 -7.235 -3.951 -1.244 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.480 -6.189 -3.556 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.854 -6.791 -3.874 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.897 -5.669 -4.011 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.765 -7.572 -5.187 1.00 0.00 C ATOM 0 H LEU A 74 -6.455 -8.133 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.342 -5.493 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.376 -5.228 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.696 -6.839 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.155 -7.459 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.871 -6.103 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.956 -5.111 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.604 -4.996 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.738 -8.003 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.464 -6.900 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.029 -8.370 -5.087 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.569 -5.707 -1.205 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.686 -4.891 -0.640 1.00 0.00 C ATOM 1074 C ASN A 75 -9.440 -4.638 0.852 1.00 0.00 C ATOM 1075 O ASN A 75 -9.972 -3.702 1.420 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.035 -5.594 -0.853 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.038 -6.979 -0.203 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.296 -7.237 0.720 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.863 -7.887 -0.649 1.00 0.00 N ATOM 0 H ASN A 75 -8.782 -6.692 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.720 -3.934 -1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.836 -4.988 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.236 -5.688 -1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.883 -8.813 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.488 -7.671 -1.426 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.626 -5.449 1.490 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.337 -5.235 2.936 1.00 0.00 C ATOM 1088 C ALA A 76 -7.535 -3.941 3.091 1.00 0.00 C ATOM 1089 O ALA A 76 -7.932 -3.036 3.801 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.520 -6.409 3.476 1.00 0.00 C ATOM 0 H ALA A 76 -8.152 -6.247 1.067 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.271 -5.164 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.310 -6.250 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.085 -7.333 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.581 -6.482 2.927 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.412 -3.847 2.425 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.582 -2.613 2.521 1.00 0.00 C ATOM 1098 C LEU A 77 -6.356 -1.429 1.934 1.00 0.00 C ATOM 1099 O LEU A 77 -6.157 -0.296 2.328 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.280 -2.810 1.740 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.589 -4.105 2.203 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.391 -5.037 1.008 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.226 -3.774 2.815 1.00 0.00 C ATOM 0 H LEU A 77 -6.035 -4.575 1.818 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.351 -2.412 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.489 -2.860 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.619 -1.958 1.896 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.214 -4.595 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.902 -5.953 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.360 -5.280 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.770 -4.543 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.741 -4.694 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.603 -3.280 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.362 -3.112 3.671 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.238 -1.683 0.996 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.029 -0.573 0.380 1.00 0.00 C ATOM 1117 C GLU A 78 -8.846 0.143 1.465 1.00 0.00 C ATOM 1118 O GLU A 78 -8.760 1.347 1.619 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.972 -1.154 -0.684 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.791 -0.030 -1.342 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.254 -0.124 -0.900 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.535 0.230 0.234 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -12.068 -0.550 -1.703 1.00 0.00 O ATOM 0 H GLU A 78 -7.443 -2.613 0.631 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.353 0.143 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.394 -1.684 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.642 -1.882 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.380 0.941 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.724 -0.107 -2.427 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.636 -0.588 2.214 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.454 0.048 3.288 1.00 0.00 C ATOM 1132 C GLU A 79 -9.530 0.702 4.320 1.00 0.00 C ATOM 1133 O GLU A 79 -9.898 1.663 4.969 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.322 -1.014 3.967 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.439 -2.153 4.481 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.219 -2.981 5.504 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.119 -3.695 5.096 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.901 -2.886 6.678 1.00 0.00 O ATOM 0 H GLU A 79 -9.748 -1.598 2.126 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.097 0.811 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.876 -0.570 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.057 -1.401 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.122 -2.785 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.535 -1.749 4.937 1.00 0.00 H new ATOM 1145 N THR A 80 -8.331 0.194 4.468 1.00 0.00 N ATOM 1146 CA THR A 80 -7.376 0.792 5.447 1.00 0.00 C ATOM 1147 C THR A 80 -6.968 2.181 4.955 1.00 0.00 C ATOM 1148 O THR A 80 -6.745 3.088 5.734 1.00 0.00 O ATOM 1149 CB THR A 80 -6.134 -0.098 5.557 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.519 -1.460 5.437 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.461 0.127 6.912 1.00 0.00 C ATOM 0 H THR A 80 -7.974 -0.610 3.952 1.00 0.00 H new ATOM 0 HA THR A 80 -7.849 0.871 6.426 1.00 0.00 H new ATOM 0 HB THR A 80 -5.434 0.154 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.759 -2.036 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.578 -0.507 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.167 1.173 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.159 -0.124 7.711 1.00 0.00 H new ATOM 1159 N MET A 81 -6.878 2.349 3.662 1.00 0.00 N ATOM 1160 CA MET A 81 -6.497 3.672 3.090 1.00 0.00 C ATOM 1161 C MET A 81 -7.654 4.657 3.279 1.00 0.00 C ATOM 1162 O MET A 81 -7.451 5.853 3.381 1.00 0.00 O ATOM 1163 CB MET A 81 -6.204 3.511 1.594 1.00 0.00 C ATOM 1164 CG MET A 81 -4.703 3.255 1.376 1.00 0.00 C ATOM 1165 SD MET A 81 -3.975 4.586 0.383 1.00 0.00 S ATOM 1166 CE MET A 81 -2.245 4.254 0.792 1.00 0.00 C ATOM 0 H MET A 81 -7.054 1.619 2.972 1.00 0.00 H new ATOM 0 HA MET A 81 -5.609 4.050 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.785 2.683 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.510 4.409 1.057 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.195 3.190 2.338 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.559 2.298 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.643 5.136 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.161 4.013 1.852 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.886 3.413 0.199 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.865 4.161 3.317 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.046 5.054 3.491 1.00 0.00 C ATOM 1178 C LYS A 82 -10.233 5.398 4.973 1.00 0.00 C ATOM 1179 O LYS A 82 -10.806 6.418 5.309 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.295 4.342 2.970 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.257 4.299 1.440 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.637 5.673 0.870 1.00 0.00 C ATOM 1183 CE LYS A 82 -13.061 5.627 0.308 1.00 0.00 C ATOM 1184 NZ LYS A 82 -14.026 5.378 1.415 1.00 0.00 N ATOM 0 H LYS A 82 -9.085 3.169 3.234 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.885 5.976 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.344 3.330 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.191 4.863 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.260 4.017 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.946 3.539 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.568 6.432 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.936 5.958 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.297 6.568 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.142 4.841 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.998 5.481 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.892 4.414 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.863 6.065 2.179 1.00 0.00 H new ATOM 1198 N SER A 83 -9.761 4.555 5.859 1.00 0.00 N ATOM 1199 CA SER A 83 -9.918 4.833 7.318 1.00 0.00 C ATOM 1200 C SER A 83 -8.984 5.973 7.729 1.00 0.00 C ATOM 1201 O SER A 83 -9.422 6.995 8.224 1.00 0.00 O ATOM 1202 CB SER A 83 -9.572 3.576 8.119 1.00 0.00 C ATOM 1203 OG SER A 83 -8.364 3.019 7.621 1.00 0.00 O ATOM 0 H SER A 83 -9.274 3.687 5.634 1.00 0.00 H new ATOM 0 HA SER A 83 -10.950 5.121 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.464 3.822 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.380 2.848 8.043 1.00 0.00 H new ATOM 0 HG SER A 83 -8.127 3.454 6.775 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.700 5.805 7.529 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.732 6.876 7.909 1.00 0.00 C ATOM 1211 C GLU A 84 -6.805 8.014 6.889 1.00 0.00 C ATOM 1212 O GLU A 84 -6.767 9.177 7.242 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.316 6.300 7.929 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.010 5.748 9.322 1.00 0.00 C ATOM 1215 CD GLU A 84 -3.724 4.922 9.273 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -2.752 5.407 8.718 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -3.733 3.817 9.791 1.00 0.00 O ATOM 0 H GLU A 84 -7.281 4.970 7.118 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.983 7.258 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.223 5.509 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.594 7.073 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.902 6.567 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.838 5.131 9.670 1.00 0.00 H new ATOM 1224 N GLY A 85 -6.907 7.683 5.628 1.00 0.00 N ATOM 1225 CA GLY A 85 -6.979 8.738 4.575 1.00 0.00 C ATOM 1226 C GLY A 85 -5.615 8.879 3.902 1.00 0.00 C ATOM 1227 O GLY A 85 -5.135 9.973 3.675 1.00 0.00 O ATOM 0 H GLY A 85 -6.944 6.724 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.736 8.478 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.278 9.688 5.017 1.00 0.00 H new ATOM 1231 N LEU A 86 -4.987 7.775 3.583 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.650 7.832 2.925 1.00 0.00 C ATOM 1233 C LEU A 86 -3.830 8.069 1.425 1.00 0.00 C ATOM 1234 O LEU A 86 -3.074 8.797 0.809 1.00 0.00 O ATOM 1235 CB LEU A 86 -2.917 6.509 3.147 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.625 6.327 4.638 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -1.980 4.962 4.861 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.666 7.424 5.114 1.00 0.00 C ATOM 0 H LEU A 86 -5.345 6.835 3.751 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.068 8.647 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.523 5.680 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.986 6.498 2.580 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.556 6.392 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.770 4.828 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.659 4.179 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.049 4.903 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.460 7.292 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.734 7.361 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.121 8.401 4.952 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.827 7.459 0.835 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.064 7.643 -0.626 1.00 0.00 C ATOM 1252 C GLY A 87 -6.406 7.022 -1.012 1.00 0.00 C ATOM 1253 O GLY A 87 -6.855 6.068 -0.405 1.00 0.00 O ATOM 0 H GLY A 87 -5.488 6.840 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.059 8.704 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.260 7.178 -1.196 1.00 0.00 H new ATOM 1257 N GLU A 88 -7.049 7.557 -2.018 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.367 7.006 -2.454 1.00 0.00 C ATOM 1259 C GLU A 88 -8.454 7.041 -3.983 1.00 0.00 C ATOM 1260 O GLU A 88 -8.050 6.070 -4.601 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.509 7.835 -1.847 1.00 0.00 C ATOM 1262 CG GLU A 88 -9.224 9.333 -2.016 1.00 0.00 C ATOM 1263 CD GLU A 88 -10.538 10.079 -2.257 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -11.057 9.984 -3.357 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -11.002 10.732 -1.337 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.924 8.037 -4.511 1.00 0.00 O ATOM 0 H GLU A 88 -6.716 8.355 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.458 5.976 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.451 7.580 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.620 7.595 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.730 9.723 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.544 9.492 -2.853 1.00 0.00 H new