USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 11 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.023) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.126 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=-0.13,f=-0.13) USER MOD Set 3.1: A 7 THR OG1 : rot 141:sc= 0.836 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 2 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.49) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -56:sc= 0.509 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0796) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0198) USER MOD Single : A 49 GLN : amide:sc= -0.0988 K(o=-0.099,f=-1) USER MOD Single : A 55 THR OG1 : rot 34:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 172:sc= 1.17 USER MOD Single : A 60 ASN : amide:sc= -0.976 K(o=-0.98,f=-5.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.708 2.437 1.152 1.00 0.00 N ATOM 21 CA GLN A 2 -14.406 3.030 2.451 1.00 0.00 C ATOM 22 C GLN A 2 -13.279 2.273 3.151 1.00 0.00 C ATOM 23 O GLN A 2 -13.480 1.161 3.642 1.00 0.00 O ATOM 24 CB GLN A 2 -15.655 3.041 3.336 1.00 0.00 C ATOM 25 CG GLN A 2 -16.714 4.033 2.883 1.00 0.00 C ATOM 26 CD GLN A 2 -17.840 3.372 2.108 1.00 0.00 C ATOM 27 OE1 GLN A 2 -18.309 2.295 2.476 1.00 0.00 O ATOM 28 NE2 GLN A 2 -18.283 4.012 1.028 1.00 0.00 N ATOM 0 HA GLN A 2 -14.079 4.056 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.089 2.041 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.363 3.276 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.127 4.541 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.248 4.797 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.867 4.903 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.038 3.611 0.472 1.00 0.00 H new ATOM 37 N ILE A 3 -12.094 2.880 3.197 1.00 0.00 N ATOM 38 CA ILE A 3 -10.941 2.258 3.839 1.00 0.00 C ATOM 39 C ILE A 3 -10.144 3.283 4.644 1.00 0.00 C ATOM 40 O ILE A 3 -10.164 4.474 4.337 1.00 0.00 O ATOM 41 CB ILE A 3 -10.014 1.590 2.802 1.00 0.00 C ATOM 42 CG1 ILE A 3 -8.867 0.858 3.502 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.472 2.625 1.826 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.154 -0.138 2.612 1.00 0.00 C ATOM 0 H ILE A 3 -11.909 3.800 2.798 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.324 1.492 4.514 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.595 0.859 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.146 1.591 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.258 0.337 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.820 2.136 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.301 3.102 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.906 3.379 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.353 -0.619 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.862 -0.893 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.733 0.380 1.751 1.00 0.00 H new ATOM 56 N PHE A 4 -9.445 2.817 5.678 1.00 0.00 N ATOM 57 CA PHE A 4 -8.648 3.703 6.520 1.00 0.00 C ATOM 58 C PHE A 4 -7.169 3.320 6.471 1.00 0.00 C ATOM 59 O PHE A 4 -6.731 2.418 7.184 1.00 0.00 O ATOM 60 CB PHE A 4 -9.153 3.659 7.963 1.00 0.00 C ATOM 61 CG PHE A 4 -9.933 4.878 8.364 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.158 5.157 7.779 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.441 5.746 9.326 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.878 6.278 8.146 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.156 6.869 9.696 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.376 7.136 9.106 1.00 0.00 C ATOM 0 H PHE A 4 -9.415 1.835 5.951 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.752 4.718 6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.781 2.777 8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.301 3.546 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -11.555 4.490 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.488 5.542 9.792 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -12.832 6.483 7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.761 7.538 10.446 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.936 8.013 9.394 1.00 0.00 H new ATOM 76 N VAL A 5 -6.405 4.011 5.626 1.00 0.00 N ATOM 77 CA VAL A 5 -4.978 3.739 5.493 1.00 0.00 C ATOM 78 C VAL A 5 -4.154 4.735 6.304 1.00 0.00 C ATOM 79 O VAL A 5 -4.587 5.863 6.539 1.00 0.00 O ATOM 80 CB VAL A 5 -4.530 3.797 4.021 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.093 3.317 3.880 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.462 2.974 3.145 1.00 0.00 C ATOM 0 H VAL A 5 -6.750 4.760 5.026 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.809 2.732 5.876 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.577 4.834 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.794 3.365 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.437 3.953 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.017 2.288 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.129 3.028 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.451 1.936 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.475 3.368 3.221 1.00 0.00 H new ATOM 92 N LYS A 6 -2.965 4.315 6.734 1.00 0.00 N ATOM 93 CA LYS A 6 -2.091 5.180 7.519 1.00 0.00 C ATOM 94 C LYS A 6 -0.825 5.533 6.739 1.00 0.00 C ATOM 95 O LYS A 6 -0.161 4.655 6.188 1.00 0.00 O ATOM 96 CB LYS A 6 -1.721 4.503 8.840 1.00 0.00 C ATOM 97 CG LYS A 6 -1.857 5.415 10.050 1.00 0.00 C ATOM 98 CD LYS A 6 -0.671 5.278 10.990 1.00 0.00 C ATOM 99 CE LYS A 6 -0.736 6.291 12.121 1.00 0.00 C ATOM 100 NZ LYS A 6 -1.281 5.694 13.372 1.00 0.00 N ATOM 0 H LYS A 6 -2.588 3.385 6.552 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.631 6.103 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.356 3.629 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.694 4.144 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.942 6.450 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.776 5.176 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.648 4.270 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.255 5.414 10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.262 6.686 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.359 7.133 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.309 6.418 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.243 5.340 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.672 4.907 13.675 1.00 0.00 H new ATOM 114 N THR A 7 -0.494 6.823 6.700 1.00 0.00 N ATOM 115 CA THR A 7 0.693 7.285 5.989 1.00 0.00 C ATOM 116 C THR A 7 1.841 7.528 6.968 1.00 0.00 C ATOM 117 O THR A 7 1.659 7.421 8.181 1.00 0.00 O ATOM 118 CB THR A 7 0.380 8.561 5.205 1.00 0.00 C ATOM 119 OG1 THR A 7 0.328 9.683 6.070 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.937 8.495 4.458 1.00 0.00 C ATOM 0 H THR A 7 -1.031 7.564 7.152 1.00 0.00 H new ATOM 0 HA THR A 7 0.999 6.511 5.285 1.00 0.00 H new ATOM 0 HB THR A 7 1.188 8.660 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.739 10.456 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.099 9.431 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.911 7.670 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.750 8.337 5.167 1.00 0.00 H new ATOM 128 N LEU A 8 3.022 7.867 6.447 1.00 0.00 N ATOM 129 CA LEU A 8 4.172 8.131 7.300 1.00 0.00 C ATOM 130 C LEU A 8 3.933 9.397 8.127 1.00 0.00 C ATOM 131 O LEU A 8 4.547 9.589 9.177 1.00 0.00 O ATOM 132 CB LEU A 8 5.468 8.207 6.463 1.00 0.00 C ATOM 133 CG LEU A 8 6.188 9.561 6.447 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.629 9.390 5.991 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.456 10.542 5.542 1.00 0.00 C ATOM 0 H LEU A 8 3.202 7.963 5.448 1.00 0.00 H new ATOM 0 HA LEU A 8 4.299 7.304 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.162 7.455 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.228 7.935 5.435 1.00 0.00 H new ATOM 0 HG LEU A 8 6.191 9.963 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.126 10.360 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.150 8.719 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.645 8.968 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.980 11.498 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.424 10.146 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.439 10.686 5.908 1.00 0.00 H new ATOM 147 N THR A 9 3.025 10.257 7.649 1.00 0.00 N ATOM 148 CA THR A 9 2.698 11.494 8.343 1.00 0.00 C ATOM 149 C THR A 9 1.335 11.398 9.032 1.00 0.00 C ATOM 150 O THR A 9 0.648 12.406 9.201 1.00 0.00 O ATOM 151 CB THR A 9 2.691 12.662 7.353 1.00 0.00 C ATOM 152 OG1 THR A 9 1.741 12.442 6.325 1.00 0.00 O ATOM 153 CG2 THR A 9 4.033 12.899 6.694 1.00 0.00 C ATOM 0 H THR A 9 2.507 10.112 6.782 1.00 0.00 H new ATOM 0 HA THR A 9 3.458 11.664 9.106 1.00 0.00 H new ATOM 0 HB THR A 9 2.437 13.540 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.750 13.200 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.957 13.740 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.779 13.121 7.457 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.331 12.006 6.144 1.00 0.00 H new ATOM 161 N GLY A 10 0.941 10.185 9.429 1.00 0.00 N ATOM 162 CA GLY A 10 -0.340 9.998 10.092 1.00 0.00 C ATOM 163 C GLY A 10 -1.488 10.695 9.375 1.00 0.00 C ATOM 164 O GLY A 10 -2.433 11.156 10.016 1.00 0.00 O ATOM 0 H GLY A 10 1.486 9.332 9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.555 8.932 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.273 10.376 11.112 1.00 0.00 H new ATOM 168 N LYS A 11 -1.412 10.774 8.046 1.00 0.00 N ATOM 169 CA LYS A 11 -2.461 11.421 7.261 1.00 0.00 C ATOM 170 C LYS A 11 -3.604 10.451 6.969 1.00 0.00 C ATOM 171 O LYS A 11 -3.381 9.253 6.793 1.00 0.00 O ATOM 172 CB LYS A 11 -1.890 11.965 5.948 1.00 0.00 C ATOM 173 CG LYS A 11 -2.524 13.275 5.505 1.00 0.00 C ATOM 174 CD LYS A 11 -3.454 13.073 4.319 1.00 0.00 C ATOM 175 CE LYS A 11 -3.980 14.398 3.792 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.009 15.055 2.874 1.00 0.00 N ATOM 0 H LYS A 11 -0.640 10.400 7.494 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.854 12.251 7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.816 12.111 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.030 11.220 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.081 13.710 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.742 13.986 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.923 12.549 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.291 12.440 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.921 14.232 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.195 15.062 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.367 15.993 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.093 15.160 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.888 14.472 2.022 1.00 0.00 H new ATOM 190 N THR A 12 -4.828 10.975 6.914 1.00 0.00 N ATOM 191 CA THR A 12 -5.996 10.146 6.635 1.00 0.00 C ATOM 192 C THR A 12 -6.462 10.333 5.192 1.00 0.00 C ATOM 193 O THR A 12 -6.972 11.392 4.827 1.00 0.00 O ATOM 194 CB THR A 12 -7.138 10.474 7.605 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.325 9.800 7.226 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.458 11.951 7.694 1.00 0.00 C ATOM 0 H THR A 12 -5.034 11.963 7.058 1.00 0.00 H new ATOM 0 HA THR A 12 -5.709 9.104 6.774 1.00 0.00 H new ATOM 0 HB THR A 12 -6.784 10.142 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.042 10.020 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.275 12.104 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.577 12.494 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.752 12.319 6.711 1.00 0.00 H new ATOM 204 N ILE A 13 -6.280 9.300 4.370 1.00 0.00 N ATOM 205 CA ILE A 13 -6.681 9.363 2.968 1.00 0.00 C ATOM 206 C ILE A 13 -7.617 8.213 2.607 1.00 0.00 C ATOM 207 O ILE A 13 -7.753 7.251 3.363 1.00 0.00 O ATOM 208 CB ILE A 13 -5.457 9.323 2.032 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.637 8.056 2.283 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.599 10.564 2.228 1.00 0.00 C ATOM 211 CD1 ILE A 13 -4.080 7.437 1.019 1.00 0.00 C ATOM 0 H ILE A 13 -5.859 8.414 4.650 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.205 10.309 2.834 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.808 9.308 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.813 8.294 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.263 7.323 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.739 10.521 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.188 11.453 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.254 10.609 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.510 6.543 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.900 7.168 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.428 8.154 0.520 1.00 0.00 H new ATOM 223 N THR A 14 -8.262 8.317 1.445 1.00 0.00 N ATOM 224 CA THR A 14 -9.182 7.282 0.989 1.00 0.00 C ATOM 225 C THR A 14 -8.544 6.440 -0.114 1.00 0.00 C ATOM 226 O THR A 14 -7.676 6.918 -0.844 1.00 0.00 O ATOM 227 CB THR A 14 -10.480 7.911 0.480 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.205 8.953 -0.440 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.337 8.490 1.585 1.00 0.00 C ATOM 0 H THR A 14 -8.163 9.106 0.806 1.00 0.00 H new ATOM 0 HA THR A 14 -9.410 6.633 1.834 1.00 0.00 H new ATOM 0 HB THR A 14 -11.028 7.098 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.048 9.342 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.242 8.920 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.608 7.701 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.779 9.266 2.109 1.00 0.00 H new ATOM 237 N LEU A 15 -8.974 5.186 -0.231 1.00 0.00 N ATOM 238 CA LEU A 15 -8.435 4.289 -1.247 1.00 0.00 C ATOM 239 C LEU A 15 -9.546 3.468 -1.899 1.00 0.00 C ATOM 240 O LEU A 15 -10.470 3.014 -1.224 1.00 0.00 O ATOM 241 CB LEU A 15 -7.388 3.359 -0.630 1.00 0.00 C ATOM 242 CG LEU A 15 -6.093 3.220 -1.432 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.222 4.454 -1.260 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.337 1.969 -1.009 1.00 0.00 C ATOM 0 H LEU A 15 -9.691 4.770 0.363 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.962 4.897 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.142 3.724 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.830 2.370 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.350 3.127 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.306 4.336 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.762 5.333 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.973 4.579 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.418 1.885 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.092 2.033 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.959 1.091 -1.185 1.00 0.00 H new ATOM 256 N GLU A 16 -9.450 3.276 -3.214 1.00 0.00 N ATOM 257 CA GLU A 16 -10.448 2.505 -3.947 1.00 0.00 C ATOM 258 C GLU A 16 -9.941 1.092 -4.225 1.00 0.00 C ATOM 259 O GLU A 16 -8.773 0.899 -4.563 1.00 0.00 O ATOM 260 CB GLU A 16 -10.798 3.202 -5.263 1.00 0.00 C ATOM 261 CG GLU A 16 -9.630 3.301 -6.229 1.00 0.00 C ATOM 262 CD GLU A 16 -10.058 3.728 -7.620 1.00 0.00 C ATOM 263 OE1 GLU A 16 -10.455 2.850 -8.415 1.00 0.00 O ATOM 264 OE2 GLU A 16 -9.997 4.941 -7.914 1.00 0.00 O ATOM 0 H GLU A 16 -8.693 3.643 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.345 2.438 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.612 2.661 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.165 4.205 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.903 4.014 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.129 2.335 -6.288 1.00 0.00 H new ATOM 271 N VAL A 17 -10.822 0.102 -4.080 1.00 0.00 N ATOM 272 CA VAL A 17 -10.449 -1.287 -4.317 1.00 0.00 C ATOM 273 C VAL A 17 -11.545 -2.036 -5.070 1.00 0.00 C ATOM 274 O VAL A 17 -12.731 -1.875 -4.781 1.00 0.00 O ATOM 275 CB VAL A 17 -10.158 -2.022 -2.995 1.00 0.00 C ATOM 276 CG1 VAL A 17 -9.583 -3.403 -3.266 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.214 -1.205 -2.125 1.00 0.00 C ATOM 0 H VAL A 17 -11.794 0.238 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.544 -1.270 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.097 -2.145 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.384 -3.906 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.298 -3.988 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.654 -3.306 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.020 -1.741 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.275 -1.048 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.670 -0.241 -1.900 1.00 0.00 H new ATOM 287 N GLU A 18 -11.141 -2.860 -6.036 1.00 0.00 N ATOM 288 CA GLU A 18 -12.090 -3.637 -6.825 1.00 0.00 C ATOM 289 C GLU A 18 -12.164 -5.074 -6.312 1.00 0.00 C ATOM 290 O GLU A 18 -11.331 -5.496 -5.509 1.00 0.00 O ATOM 291 CB GLU A 18 -11.685 -3.623 -8.302 1.00 0.00 C ATOM 292 CG GLU A 18 -10.392 -4.371 -8.588 1.00 0.00 C ATOM 293 CD GLU A 18 -10.095 -4.475 -10.072 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.034 -3.423 -10.741 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.925 -5.611 -10.563 1.00 0.00 O ATOM 0 H GLU A 18 -10.164 -3.005 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.076 -3.183 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.488 -4.063 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.577 -2.589 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.565 -3.864 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.454 -5.373 -8.162 1.00 0.00 H new ATOM 302 N PRO A 19 -13.164 -5.851 -6.762 1.00 0.00 N ATOM 303 CA PRO A 19 -13.331 -7.243 -6.333 1.00 0.00 C ATOM 304 C PRO A 19 -12.070 -8.074 -6.568 1.00 0.00 C ATOM 305 O PRO A 19 -11.505 -8.631 -5.628 1.00 0.00 O ATOM 306 CB PRO A 19 -14.487 -7.753 -7.200 1.00 0.00 C ATOM 307 CG PRO A 19 -15.238 -6.527 -7.590 1.00 0.00 C ATOM 308 CD PRO A 19 -14.210 -5.438 -7.717 1.00 0.00 C ATOM 0 HA PRO A 19 -13.526 -7.320 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.119 -8.287 -8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.121 -8.446 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.768 -6.676 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.987 -6.272 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.822 -5.366 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.624 -4.462 -7.464 1.00 0.00 H new ATOM 316 N SER A 20 -11.628 -8.152 -7.825 1.00 0.00 N ATOM 317 CA SER A 20 -10.429 -8.916 -8.169 1.00 0.00 C ATOM 318 C SER A 20 -9.164 -8.050 -8.108 1.00 0.00 C ATOM 319 O SER A 20 -8.272 -8.196 -8.944 1.00 0.00 O ATOM 320 CB SER A 20 -10.572 -9.526 -9.566 1.00 0.00 C ATOM 321 OG SER A 20 -9.529 -10.449 -9.828 1.00 0.00 O ATOM 0 H SER A 20 -12.081 -7.697 -8.618 1.00 0.00 H new ATOM 0 HA SER A 20 -10.327 -9.712 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.536 -10.028 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.558 -8.734 -10.315 1.00 0.00 H new ATOM 0 HG SER A 20 -8.663 -10.004 -9.718 1.00 0.00 H new ATOM 327 N ASP A 21 -9.081 -7.153 -7.125 1.00 0.00 N ATOM 328 CA ASP A 21 -7.913 -6.285 -6.988 1.00 0.00 C ATOM 329 C ASP A 21 -6.722 -7.053 -6.418 1.00 0.00 C ATOM 330 O ASP A 21 -6.750 -7.487 -5.267 1.00 0.00 O ATOM 331 CB ASP A 21 -8.233 -5.085 -6.093 1.00 0.00 C ATOM 332 CG ASP A 21 -7.515 -3.825 -6.536 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.103 -3.759 -7.713 1.00 0.00 O ATOM 334 OD2 ASP A 21 -7.365 -2.904 -5.706 1.00 0.00 O ATOM 0 H ASP A 21 -9.802 -7.010 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.650 -5.925 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.309 -4.908 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.953 -5.317 -5.065 1.00 0.00 H new ATOM 339 N THR A 22 -5.673 -7.211 -7.224 1.00 0.00 N ATOM 340 CA THR A 22 -4.476 -7.919 -6.782 1.00 0.00 C ATOM 341 C THR A 22 -3.536 -6.974 -6.037 1.00 0.00 C ATOM 342 O THR A 22 -3.611 -5.757 -6.204 1.00 0.00 O ATOM 343 CB THR A 22 -3.749 -8.546 -7.975 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.169 -7.544 -8.792 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.652 -9.387 -8.851 1.00 0.00 C ATOM 0 H THR A 22 -5.629 -6.860 -8.181 1.00 0.00 H new ATOM 0 HA THR A 22 -4.785 -8.713 -6.103 1.00 0.00 H new ATOM 0 HB THR A 22 -2.986 -9.192 -7.541 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.708 -7.964 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.074 -9.801 -9.677 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.077 -10.200 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.456 -8.766 -9.246 1.00 0.00 H new ATOM 353 N ILE A 23 -2.652 -7.535 -5.213 1.00 0.00 N ATOM 354 CA ILE A 23 -1.707 -6.722 -4.450 1.00 0.00 C ATOM 355 C ILE A 23 -0.842 -5.862 -5.374 1.00 0.00 C ATOM 356 O ILE A 23 -0.458 -4.749 -5.014 1.00 0.00 O ATOM 357 CB ILE A 23 -0.792 -7.590 -3.561 1.00 0.00 C ATOM 358 CG1 ILE A 23 0.081 -6.704 -2.671 1.00 0.00 C ATOM 359 CG2 ILE A 23 0.070 -8.509 -4.414 1.00 0.00 C ATOM 360 CD1 ILE A 23 -0.703 -5.943 -1.625 1.00 0.00 C ATOM 0 H ILE A 23 -2.571 -8.540 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.304 -6.073 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.420 -8.210 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.827 -7.324 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.622 -5.994 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.708 -9.113 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.571 -9.163 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.691 -7.910 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.021 -5.335 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.431 -5.297 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.222 -6.648 -0.975 1.00 0.00 H new ATOM 372 N GLU A 24 -0.539 -6.375 -6.567 1.00 0.00 N ATOM 373 CA GLU A 24 0.277 -5.635 -7.528 1.00 0.00 C ATOM 374 C GLU A 24 -0.551 -4.560 -8.231 1.00 0.00 C ATOM 375 O GLU A 24 -0.077 -3.445 -8.448 1.00 0.00 O ATOM 376 CB GLU A 24 0.885 -6.586 -8.562 1.00 0.00 C ATOM 377 CG GLU A 24 1.849 -7.598 -7.966 1.00 0.00 C ATOM 378 CD GLU A 24 2.382 -8.573 -8.997 1.00 0.00 C ATOM 379 OE1 GLU A 24 3.360 -8.224 -9.694 1.00 0.00 O ATOM 380 OE2 GLU A 24 1.824 -9.685 -9.107 1.00 0.00 O ATOM 0 H GLU A 24 -0.844 -7.294 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 24 1.083 -5.148 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.081 -7.118 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.408 -6.001 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.684 -7.071 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.345 -8.152 -7.174 1.00 0.00 H new ATOM 387 N ASN A 25 -1.792 -4.899 -8.584 1.00 0.00 N ATOM 388 CA ASN A 25 -2.676 -3.952 -9.261 1.00 0.00 C ATOM 389 C ASN A 25 -2.972 -2.743 -8.374 1.00 0.00 C ATOM 390 O ASN A 25 -3.110 -1.624 -8.866 1.00 0.00 O ATOM 391 CB ASN A 25 -3.988 -4.633 -9.667 1.00 0.00 C ATOM 392 CG ASN A 25 -3.964 -5.131 -11.101 1.00 0.00 C ATOM 393 OD1 ASN A 25 -4.861 -4.827 -11.888 1.00 0.00 O ATOM 394 ND2 ASN A 25 -2.936 -5.900 -11.453 1.00 0.00 N ATOM 0 H ASN A 25 -2.205 -5.816 -8.413 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.163 -3.605 -10.158 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.181 -5.471 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.812 -3.930 -9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.871 -6.260 -12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.213 -6.129 -10.771 1.00 0.00 H new ATOM 401 N VAL A 26 -3.068 -2.969 -7.061 1.00 0.00 N ATOM 402 CA VAL A 26 -3.348 -1.887 -6.120 1.00 0.00 C ATOM 403 C VAL A 26 -2.167 -0.915 -6.000 1.00 0.00 C ATOM 404 O VAL A 26 -2.327 0.194 -5.489 1.00 0.00 O ATOM 405 CB VAL A 26 -3.699 -2.429 -4.718 1.00 0.00 C ATOM 406 CG1 VAL A 26 -2.529 -3.204 -4.130 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.117 -1.295 -3.794 1.00 0.00 C ATOM 0 H VAL A 26 -2.956 -3.887 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.208 -1.350 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.541 -3.114 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.799 -3.576 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.285 -4.044 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.663 -2.547 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.360 -1.698 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.299 -0.581 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.992 -0.793 -4.207 1.00 0.00 H new ATOM 417 N LYS A 27 -0.985 -1.324 -6.470 1.00 0.00 N ATOM 418 CA LYS A 27 0.198 -0.466 -6.399 1.00 0.00 C ATOM 419 C LYS A 27 -0.060 0.884 -7.069 1.00 0.00 C ATOM 420 O LYS A 27 0.472 1.908 -6.640 1.00 0.00 O ATOM 421 CB LYS A 27 1.400 -1.149 -7.057 1.00 0.00 C ATOM 422 CG LYS A 27 2.739 -0.699 -6.495 1.00 0.00 C ATOM 423 CD LYS A 27 3.289 -1.703 -5.495 1.00 0.00 C ATOM 424 CE LYS A 27 3.970 -1.009 -4.325 1.00 0.00 C ATOM 425 NZ LYS A 27 5.198 -1.730 -3.890 1.00 0.00 N ATOM 0 H LYS A 27 -0.824 -2.235 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 27 0.419 -0.294 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.307 -2.228 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.379 -0.949 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.451 -0.568 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.625 0.272 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.478 -2.331 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.001 -2.362 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.229 0.011 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.274 -0.940 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.632 -1.225 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.948 -2.695 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.873 -1.774 -4.680 1.00 0.00 H new ATOM 439 N ALA A 28 -0.883 0.889 -8.118 1.00 0.00 N ATOM 440 CA ALA A 28 -1.201 2.127 -8.824 1.00 0.00 C ATOM 441 C ALA A 28 -2.038 3.059 -7.948 1.00 0.00 C ATOM 442 O ALA A 28 -1.874 4.279 -7.996 1.00 0.00 O ATOM 443 CB ALA A 28 -1.932 1.829 -10.127 1.00 0.00 C ATOM 0 H ALA A 28 -1.337 0.057 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.262 2.630 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.160 2.764 -10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.300 1.211 -10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.859 1.298 -9.911 1.00 0.00 H new ATOM 449 N LYS A 29 -2.936 2.483 -7.147 1.00 0.00 N ATOM 450 CA LYS A 29 -3.793 3.274 -6.266 1.00 0.00 C ATOM 451 C LYS A 29 -2.967 4.015 -5.214 1.00 0.00 C ATOM 452 O LYS A 29 -3.211 5.191 -4.942 1.00 0.00 O ATOM 453 CB LYS A 29 -4.830 2.382 -5.577 1.00 0.00 C ATOM 454 CG LYS A 29 -6.101 2.189 -6.390 1.00 0.00 C ATOM 455 CD LYS A 29 -6.418 0.715 -6.591 1.00 0.00 C ATOM 456 CE LYS A 29 -7.301 0.497 -7.809 1.00 0.00 C ATOM 457 NZ LYS A 29 -6.543 0.658 -9.080 1.00 0.00 N ATOM 0 H LYS A 29 -3.088 1.476 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.310 4.010 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.384 1.407 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.088 2.818 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.935 2.675 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.990 2.674 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.490 0.155 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.917 0.325 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.735 -0.502 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.130 1.205 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.103 0.276 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.354 1.667 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.642 0.143 -9.014 1.00 0.00 H new ATOM 471 N ILE A 30 -1.991 3.326 -4.624 1.00 0.00 N ATOM 472 CA ILE A 30 -1.142 3.938 -3.604 1.00 0.00 C ATOM 473 C ILE A 30 -0.301 5.075 -4.191 1.00 0.00 C ATOM 474 O ILE A 30 0.018 6.040 -3.495 1.00 0.00 O ATOM 475 CB ILE A 30 -0.211 2.902 -2.934 1.00 0.00 C ATOM 476 CG1 ILE A 30 0.587 3.552 -1.801 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.724 2.277 -3.958 1.00 0.00 C ATOM 478 CD1 ILE A 30 0.558 2.762 -0.511 1.00 0.00 C ATOM 0 H ILE A 30 -1.770 2.352 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.811 4.344 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.829 2.110 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.622 3.674 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.191 4.550 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.370 1.551 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.138 1.777 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.335 3.055 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.144 3.282 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.472 2.662 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.981 1.772 -0.681 1.00 0.00 H new ATOM 490 N GLN A 31 0.048 4.967 -5.475 1.00 0.00 N ATOM 491 CA GLN A 31 0.841 6.001 -6.139 1.00 0.00 C ATOM 492 C GLN A 31 0.067 7.322 -6.230 1.00 0.00 C ATOM 493 O GLN A 31 0.665 8.385 -6.396 1.00 0.00 O ATOM 494 CB GLN A 31 1.254 5.546 -7.542 1.00 0.00 C ATOM 495 CG GLN A 31 2.234 6.487 -8.223 1.00 0.00 C ATOM 496 CD GLN A 31 3.334 5.748 -8.963 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.454 5.626 -8.467 1.00 0.00 O ATOM 498 NE2 GLN A 31 3.024 5.250 -10.158 1.00 0.00 N ATOM 0 H GLN A 31 -0.205 4.179 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 31 1.736 6.165 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.702 4.554 -7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.362 5.453 -8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.694 7.123 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.681 7.143 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.084 5.373 -10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.727 4.745 -10.698 1.00 0.00 H new ATOM 507 N ASP A 32 -1.264 7.251 -6.123 1.00 0.00 N ATOM 508 CA ASP A 32 -2.108 8.445 -6.196 1.00 0.00 C ATOM 509 C ASP A 32 -1.648 9.539 -5.226 1.00 0.00 C ATOM 510 O ASP A 32 -1.923 10.719 -5.448 1.00 0.00 O ATOM 511 CB ASP A 32 -3.569 8.086 -5.908 1.00 0.00 C ATOM 512 CG ASP A 32 -4.540 9.039 -6.576 1.00 0.00 C ATOM 513 OD1 ASP A 32 -4.444 9.220 -7.808 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.401 9.603 -5.867 1.00 0.00 O ATOM 0 H ASP A 32 -1.778 6.381 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.018 8.836 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.766 7.071 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.737 8.096 -4.831 1.00 0.00 H new ATOM 519 N LYS A 33 -0.957 9.158 -4.148 1.00 0.00 N ATOM 520 CA LYS A 33 -0.490 10.138 -3.170 1.00 0.00 C ATOM 521 C LYS A 33 0.692 10.937 -3.718 1.00 0.00 C ATOM 522 O LYS A 33 0.543 12.108 -4.067 1.00 0.00 O ATOM 523 CB LYS A 33 -0.096 9.450 -1.860 1.00 0.00 C ATOM 524 CG LYS A 33 -1.280 9.138 -0.957 1.00 0.00 C ATOM 525 CD LYS A 33 -1.166 9.849 0.383 1.00 0.00 C ATOM 526 CE LYS A 33 -1.749 11.252 0.318 1.00 0.00 C ATOM 527 NZ LYS A 33 -1.179 12.139 1.370 1.00 0.00 N ATOM 0 H LYS A 33 -0.712 8.191 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.311 10.827 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.429 8.523 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.604 10.088 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.204 9.438 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.340 8.062 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.686 9.272 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.119 9.902 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.553 11.682 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.832 11.201 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.650 13.065 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.328 11.709 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.160 12.263 1.205 1.00 0.00 H new ATOM 541 N GLU A 34 1.867 10.310 -3.796 1.00 0.00 N ATOM 542 CA GLU A 34 3.051 10.999 -4.309 1.00 0.00 C ATOM 543 C GLU A 34 4.196 10.029 -4.609 1.00 0.00 C ATOM 544 O GLU A 34 5.355 10.322 -4.321 1.00 0.00 O ATOM 545 CB GLU A 34 3.518 12.056 -3.306 1.00 0.00 C ATOM 546 CG GLU A 34 3.769 11.504 -1.912 1.00 0.00 C ATOM 547 CD GLU A 34 5.217 11.110 -1.694 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.110 11.843 -2.169 1.00 0.00 O ATOM 549 OE2 GLU A 34 5.458 10.068 -1.049 1.00 0.00 O ATOM 0 H GLU A 34 2.023 9.342 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 34 2.769 11.478 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.434 12.516 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.768 12.844 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.484 12.252 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.131 10.635 -1.749 1.00 0.00 H new ATOM 556 N GLY A 35 3.872 8.874 -5.195 1.00 0.00 N ATOM 557 CA GLY A 35 4.897 7.901 -5.520 1.00 0.00 C ATOM 558 C GLY A 35 5.764 7.552 -4.325 1.00 0.00 C ATOM 559 O GLY A 35 6.805 8.169 -4.109 1.00 0.00 O ATOM 0 H GLY A 35 2.923 8.600 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.426 6.995 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.526 8.293 -6.319 1.00 0.00 H new ATOM 563 N ILE A 36 5.331 6.562 -3.548 1.00 0.00 N ATOM 564 CA ILE A 36 6.077 6.136 -2.366 1.00 0.00 C ATOM 565 C ILE A 36 7.263 5.251 -2.755 1.00 0.00 C ATOM 566 O ILE A 36 7.079 4.122 -3.211 1.00 0.00 O ATOM 567 CB ILE A 36 5.171 5.367 -1.379 1.00 0.00 C ATOM 568 CG1 ILE A 36 3.951 6.214 -1.012 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.945 4.979 -0.128 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.713 5.871 -1.810 1.00 0.00 C ATOM 0 H ILE A 36 4.470 6.041 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 36 6.447 7.038 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 36 4.829 4.453 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.736 6.086 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.191 7.266 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.288 4.439 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.786 4.342 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.317 5.878 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.889 6.511 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.909 6.026 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.448 4.828 -1.639 1.00 0.00 H new ATOM 582 N PRO A 37 8.503 5.756 -2.589 1.00 0.00 N ATOM 583 CA PRO A 37 9.718 5.004 -2.936 1.00 0.00 C ATOM 584 C PRO A 37 9.853 3.691 -2.161 1.00 0.00 C ATOM 585 O PRO A 37 10.146 2.651 -2.750 1.00 0.00 O ATOM 586 CB PRO A 37 10.860 5.959 -2.566 1.00 0.00 C ATOM 587 CG PRO A 37 10.237 7.311 -2.514 1.00 0.00 C ATOM 588 CD PRO A 37 8.822 7.096 -2.062 1.00 0.00 C ATOM 0 HA PRO A 37 9.711 4.709 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.301 5.692 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.660 5.922 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.773 7.962 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.266 7.792 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.736 7.133 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.151 7.857 -2.461 1.00 0.00 H new ATOM 596 N PRO A 38 9.648 3.717 -0.829 1.00 0.00 N ATOM 597 CA PRO A 38 9.757 2.521 0.012 1.00 0.00 C ATOM 598 C PRO A 38 9.145 1.280 -0.636 1.00 0.00 C ATOM 599 O PRO A 38 7.937 1.056 -0.551 1.00 0.00 O ATOM 600 CB PRO A 38 8.979 2.916 1.263 1.00 0.00 C ATOM 601 CG PRO A 38 9.191 4.386 1.378 1.00 0.00 C ATOM 602 CD PRO A 38 9.299 4.911 -0.033 1.00 0.00 C ATOM 0 HA PRO A 38 10.795 2.244 0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.921 2.673 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.348 2.391 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.362 4.858 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.096 4.605 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.361 5.354 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.064 5.683 -0.115 1.00 0.00 H new ATOM 610 N ASP A 39 9.987 0.475 -1.281 1.00 0.00 N ATOM 611 CA ASP A 39 9.528 -0.745 -1.941 1.00 0.00 C ATOM 612 C ASP A 39 9.061 -1.790 -0.924 1.00 0.00 C ATOM 613 O ASP A 39 8.315 -2.705 -1.271 1.00 0.00 O ATOM 614 CB ASP A 39 10.639 -1.335 -2.815 1.00 0.00 C ATOM 615 CG ASP A 39 11.858 -1.739 -2.009 1.00 0.00 C ATOM 616 OD1 ASP A 39 11.761 -2.718 -1.238 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.908 -1.077 -2.147 1.00 0.00 O ATOM 0 H ASP A 39 10.990 0.645 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 39 8.680 -0.476 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.255 -2.205 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.931 -0.604 -3.568 1.00 0.00 H new ATOM 622 N GLN A 40 9.500 -1.658 0.330 1.00 0.00 N ATOM 623 CA GLN A 40 9.113 -2.605 1.372 1.00 0.00 C ATOM 624 C GLN A 40 7.984 -2.051 2.244 1.00 0.00 C ATOM 625 O GLN A 40 7.928 -2.326 3.443 1.00 0.00 O ATOM 626 CB GLN A 40 10.319 -2.953 2.247 1.00 0.00 C ATOM 627 CG GLN A 40 11.585 -3.232 1.454 1.00 0.00 C ATOM 628 CD GLN A 40 12.722 -3.733 2.327 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.523 -4.590 3.188 1.00 0.00 O ATOM 630 NE2 GLN A 40 13.924 -3.200 2.113 1.00 0.00 N ATOM 0 H GLN A 40 10.118 -0.910 0.644 1.00 0.00 H new ATOM 0 HA GLN A 40 8.750 -3.507 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.506 -2.130 2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.079 -3.828 2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.371 -3.972 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.898 -2.321 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.046 -2.492 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.722 -3.500 2.673 1.00 0.00 H new ATOM 639 N GLN A 41 7.077 -1.278 1.642 1.00 0.00 N ATOM 640 CA GLN A 41 5.956 -0.707 2.380 1.00 0.00 C ATOM 641 C GLN A 41 4.733 -1.618 2.284 1.00 0.00 C ATOM 642 O GLN A 41 4.190 -1.823 1.199 1.00 0.00 O ATOM 643 CB GLN A 41 5.615 0.686 1.845 1.00 0.00 C ATOM 644 CG GLN A 41 4.624 1.444 2.714 1.00 0.00 C ATOM 645 CD GLN A 41 5.304 2.418 3.660 1.00 0.00 C ATOM 646 OE1 GLN A 41 6.358 2.118 4.220 1.00 0.00 O ATOM 647 NE2 GLN A 41 4.705 3.594 3.844 1.00 0.00 N ATOM 0 H GLN A 41 7.099 -1.036 0.651 1.00 0.00 H new ATOM 0 HA GLN A 41 6.246 -0.619 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.532 1.269 1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.205 0.590 0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.929 1.989 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.035 0.732 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.832 3.803 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.120 4.285 4.469 1.00 0.00 H new ATOM 656 N ARG A 42 4.307 -2.169 3.419 1.00 0.00 N ATOM 657 CA ARG A 42 3.153 -3.060 3.442 1.00 0.00 C ATOM 658 C ARG A 42 2.334 -2.871 4.719 1.00 0.00 C ATOM 659 O ARG A 42 2.686 -2.061 5.576 1.00 0.00 O ATOM 660 CB ARG A 42 3.609 -4.517 3.328 1.00 0.00 C ATOM 661 CG ARG A 42 4.428 -4.994 4.517 1.00 0.00 C ATOM 662 CD ARG A 42 5.521 -5.961 4.090 1.00 0.00 C ATOM 663 NE ARG A 42 5.957 -6.815 5.192 1.00 0.00 N ATOM 664 CZ ARG A 42 6.792 -6.420 6.152 1.00 0.00 C ATOM 665 NH1 ARG A 42 7.283 -5.186 6.146 1.00 0.00 N ATOM 666 NH2 ARG A 42 7.137 -7.258 7.120 1.00 0.00 N ATOM 0 H ARG A 42 4.742 -2.014 4.329 1.00 0.00 H new ATOM 0 HA ARG A 42 2.520 -2.812 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.732 -5.156 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.200 -4.634 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.876 -4.136 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.773 -5.480 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.156 -6.582 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.373 -5.399 3.708 1.00 0.00 H new ATOM 0 HE ARG A 42 5.601 -7.770 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.021 -4.536 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.922 -4.888 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.763 -8.207 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.776 -6.954 7.854 1.00 0.00 H new ATOM 680 N LEU A 43 1.239 -3.621 4.838 1.00 0.00 N ATOM 681 CA LEU A 43 0.377 -3.531 6.011 1.00 0.00 C ATOM 682 C LEU A 43 0.697 -4.641 7.009 1.00 0.00 C ATOM 683 O LEU A 43 1.173 -5.711 6.627 1.00 0.00 O ATOM 684 CB LEU A 43 -1.095 -3.611 5.597 1.00 0.00 C ATOM 685 CG LEU A 43 -1.486 -4.888 4.846 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.610 -5.614 5.571 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.895 -4.565 3.416 1.00 0.00 C ATOM 0 H LEU A 43 0.930 -4.295 4.138 1.00 0.00 H new ATOM 0 HA LEU A 43 0.561 -2.570 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.714 -3.529 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.328 -2.752 4.968 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.617 -5.545 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.873 -6.518 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.282 -5.882 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.481 -4.963 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.169 -5.485 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.748 -3.886 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.061 -4.092 2.897 1.00 0.00 H new ATOM 699 N ILE A 44 0.433 -4.384 8.290 1.00 0.00 N ATOM 700 CA ILE A 44 0.695 -5.368 9.332 1.00 0.00 C ATOM 701 C ILE A 44 -0.603 -6.018 9.812 1.00 0.00 C ATOM 702 O ILE A 44 -1.118 -5.686 10.880 1.00 0.00 O ATOM 703 CB ILE A 44 1.426 -4.732 10.535 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.743 -5.793 11.593 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.594 -3.605 11.135 1.00 0.00 C ATOM 706 CD1 ILE A 44 3.108 -5.629 12.223 1.00 0.00 C ATOM 0 H ILE A 44 0.039 -3.505 8.627 1.00 0.00 H new ATOM 0 HA ILE A 44 1.337 -6.133 8.896 1.00 0.00 H new ATOM 0 HB ILE A 44 2.366 -4.309 10.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.984 -5.753 12.374 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.679 -6.781 11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.126 -3.170 11.981 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.423 -2.837 10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.364 -4.000 11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.264 -6.415 12.962 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.875 -5.699 11.452 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.170 -4.656 12.709 1.00 0.00 H new ATOM 718 N PHE A 45 -1.130 -6.947 9.016 1.00 0.00 N ATOM 719 CA PHE A 45 -2.368 -7.637 9.366 1.00 0.00 C ATOM 720 C PHE A 45 -2.400 -9.046 8.773 1.00 0.00 C ATOM 721 O PHE A 45 -2.391 -9.214 7.553 1.00 0.00 O ATOM 722 CB PHE A 45 -3.576 -6.837 8.875 1.00 0.00 C ATOM 723 CG PHE A 45 -4.695 -6.763 9.876 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.691 -7.726 9.893 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.749 -5.731 10.799 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.720 -7.662 10.813 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.776 -5.661 11.721 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.763 -6.627 11.728 1.00 0.00 C ATOM 0 H PHE A 45 -0.720 -7.238 8.128 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.411 -7.722 10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.255 -5.826 8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.951 -7.288 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.663 -8.536 9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.980 -4.973 10.798 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.490 -8.420 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.807 -4.852 12.435 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.567 -6.574 12.447 1.00 0.00 H new ATOM 738 N ALA A 46 -2.439 -10.055 9.643 1.00 0.00 N ATOM 739 CA ALA A 46 -2.474 -11.444 9.200 1.00 0.00 C ATOM 740 C ALA A 46 -1.259 -11.789 8.337 1.00 0.00 C ATOM 741 O ALA A 46 -1.351 -12.617 7.431 1.00 0.00 O ATOM 742 CB ALA A 46 -3.759 -11.718 8.432 1.00 0.00 C ATOM 0 H ALA A 46 -2.447 -9.935 10.656 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.444 -12.078 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.774 -12.758 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.616 -11.528 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.809 -11.065 7.561 1.00 0.00 H new ATOM 748 N GLY A 47 -0.117 -11.155 8.621 1.00 0.00 N ATOM 749 CA GLY A 47 1.092 -11.421 7.858 1.00 0.00 C ATOM 750 C GLY A 47 0.857 -11.428 6.357 1.00 0.00 C ATOM 751 O GLY A 47 0.952 -12.474 5.715 1.00 0.00 O ATOM 0 H GLY A 47 -0.011 -10.465 9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.841 -10.667 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.501 -12.385 8.161 1.00 0.00 H new ATOM 755 N LYS A 48 0.549 -10.260 5.792 1.00 0.00 N ATOM 756 CA LYS A 48 0.304 -10.151 4.359 1.00 0.00 C ATOM 757 C LYS A 48 1.432 -9.387 3.666 1.00 0.00 C ATOM 758 O LYS A 48 1.782 -8.280 4.075 1.00 0.00 O ATOM 759 CB LYS A 48 -1.033 -9.454 4.099 1.00 0.00 C ATOM 760 CG LYS A 48 -1.706 -9.892 2.808 1.00 0.00 C ATOM 761 CD LYS A 48 -2.407 -8.730 2.123 1.00 0.00 C ATOM 762 CE LYS A 48 -2.428 -8.906 0.612 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.545 -9.786 0.171 1.00 0.00 N ATOM 0 H LYS A 48 0.464 -9.382 6.304 1.00 0.00 H new ATOM 0 HA LYS A 48 0.267 -11.160 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.705 -9.651 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.872 -8.376 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.962 -10.317 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.429 -10.679 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.428 -8.649 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.901 -7.798 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.524 -7.931 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.480 -9.331 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.566 -9.826 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.404 -10.743 0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.447 -9.404 0.521 1.00 0.00 H new ATOM 777 N GLN A 49 1.997 -9.984 2.617 1.00 0.00 N ATOM 778 CA GLN A 49 3.084 -9.350 1.876 1.00 0.00 C ATOM 779 C GLN A 49 2.536 -8.477 0.746 1.00 0.00 C ATOM 780 O GLN A 49 1.753 -8.940 -0.083 1.00 0.00 O ATOM 781 CB GLN A 49 4.034 -10.410 1.307 1.00 0.00 C ATOM 782 CG GLN A 49 5.360 -10.493 2.044 1.00 0.00 C ATOM 783 CD GLN A 49 6.376 -9.486 1.533 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.450 -9.221 0.332 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.166 -8.917 2.441 1.00 0.00 N ATOM 0 H GLN A 49 1.721 -10.900 2.264 1.00 0.00 H new ATOM 0 HA GLN A 49 3.638 -8.714 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.545 -11.383 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.224 -10.190 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.191 -10.326 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.767 -11.499 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.072 -9.165 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.865 -8.233 2.152 1.00 0.00 H new ATOM 794 N LEU A 50 2.954 -7.212 0.718 1.00 0.00 N ATOM 795 CA LEU A 50 2.501 -6.281 -0.315 1.00 0.00 C ATOM 796 C LEU A 50 3.256 -6.493 -1.630 1.00 0.00 C ATOM 797 O LEU A 50 2.752 -6.151 -2.700 1.00 0.00 O ATOM 798 CB LEU A 50 2.674 -4.833 0.154 1.00 0.00 C ATOM 799 CG LEU A 50 1.954 -3.787 -0.704 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.760 -3.211 0.043 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.913 -2.676 -1.114 1.00 0.00 C ATOM 0 H LEU A 50 3.602 -6.810 1.395 1.00 0.00 H new ATOM 0 HA LEU A 50 1.444 -6.478 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.312 -4.753 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.738 -4.597 0.172 1.00 0.00 H new ATOM 0 HG LEU A 50 1.591 -4.278 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.262 -2.470 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.061 -4.012 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.101 -2.738 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.383 -1.944 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.308 -2.189 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.735 -3.100 -1.691 1.00 0.00 H new ATOM 813 N GLU A 51 4.466 -7.050 -1.552 1.00 0.00 N ATOM 814 CA GLU A 51 5.270 -7.289 -2.749 1.00 0.00 C ATOM 815 C GLU A 51 4.803 -8.540 -3.494 1.00 0.00 C ATOM 816 O GLU A 51 4.830 -8.576 -4.724 1.00 0.00 O ATOM 817 CB GLU A 51 6.751 -7.424 -2.382 1.00 0.00 C ATOM 818 CG GLU A 51 7.688 -6.786 -3.394 1.00 0.00 C ATOM 819 CD GLU A 51 9.005 -6.355 -2.777 1.00 0.00 C ATOM 820 OE1 GLU A 51 9.737 -7.230 -2.270 1.00 0.00 O ATOM 821 OE2 GLU A 51 9.303 -5.142 -2.803 1.00 0.00 O ATOM 0 H GLU A 51 4.907 -7.342 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 51 5.141 -6.431 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.918 -6.968 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.998 -8.481 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.883 -7.493 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.199 -5.920 -3.841 1.00 0.00 H new ATOM 828 N ASP A 52 4.381 -9.564 -2.748 1.00 0.00 N ATOM 829 CA ASP A 52 3.911 -10.808 -3.335 1.00 0.00 C ATOM 830 C ASP A 52 2.890 -10.555 -4.438 1.00 0.00 C ATOM 831 O ASP A 52 2.648 -9.418 -4.844 1.00 0.00 O ATOM 832 CB ASP A 52 3.302 -11.713 -2.253 1.00 0.00 C ATOM 833 CG ASP A 52 3.849 -13.126 -2.308 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.913 -13.375 -1.704 1.00 0.00 O ATOM 835 OD2 ASP A 52 3.212 -13.983 -2.957 1.00 0.00 O ATOM 0 H ASP A 52 4.358 -9.549 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 52 4.771 -11.309 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.503 -11.286 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.219 -11.740 -2.373 1.00 0.00 H new ATOM 840 N GLY A 53 2.285 -11.631 -4.905 1.00 0.00 N ATOM 841 CA GLY A 53 1.282 -11.533 -5.948 1.00 0.00 C ATOM 842 C GLY A 53 -0.070 -12.046 -5.492 1.00 0.00 C ATOM 843 O GLY A 53 -0.768 -12.723 -6.246 1.00 0.00 O ATOM 0 H GLY A 53 2.470 -12.580 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.187 -10.494 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.609 -12.101 -6.819 1.00 0.00 H new ATOM 847 N ARG A 54 -0.443 -11.727 -4.252 1.00 0.00 N ATOM 848 CA ARG A 54 -1.722 -12.169 -3.706 1.00 0.00 C ATOM 849 C ARG A 54 -2.777 -11.070 -3.824 1.00 0.00 C ATOM 850 O ARG A 54 -2.446 -9.887 -3.888 1.00 0.00 O ATOM 851 CB ARG A 54 -1.559 -12.587 -2.242 1.00 0.00 C ATOM 852 CG ARG A 54 -1.562 -14.093 -2.037 1.00 0.00 C ATOM 853 CD ARG A 54 -0.471 -14.771 -2.853 1.00 0.00 C ATOM 854 NE ARG A 54 -0.829 -16.140 -3.228 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.273 -16.798 -4.244 1.00 0.00 C ATOM 856 NH1 ARG A 54 0.668 -16.223 -4.983 1.00 0.00 N ATOM 857 NH2 ARG A 54 -0.657 -18.037 -4.522 1.00 0.00 N ATOM 0 H ARG A 54 0.120 -11.167 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.058 -13.029 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.625 -12.178 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.365 -12.147 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.419 -14.317 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.534 -14.498 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.279 -14.188 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.455 -14.784 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.545 -16.617 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.970 -15.271 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.089 -16.733 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.378 -18.486 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.231 -18.540 -5.300 1.00 0.00 H new ATOM 871 N THR A 55 -4.047 -11.467 -3.853 1.00 0.00 N ATOM 872 CA THR A 55 -5.142 -10.509 -3.963 1.00 0.00 C ATOM 873 C THR A 55 -5.762 -10.229 -2.595 1.00 0.00 C ATOM 874 O THR A 55 -5.661 -11.043 -1.681 1.00 0.00 O ATOM 875 CB THR A 55 -6.211 -11.028 -4.926 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.247 -10.075 -5.086 1.00 0.00 O ATOM 877 CG2 THR A 55 -6.846 -12.326 -4.476 1.00 0.00 C ATOM 0 H THR A 55 -4.342 -12.442 -3.802 1.00 0.00 H new ATOM 0 HA THR A 55 -4.736 -9.576 -4.355 1.00 0.00 H new ATOM 0 HB THR A 55 -5.689 -11.206 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.871 -9.171 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.595 -12.637 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.079 -13.096 -4.392 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.322 -12.181 -3.506 1.00 0.00 H new ATOM 885 N LEU A 56 -6.406 -9.074 -2.460 1.00 0.00 N ATOM 886 CA LEU A 56 -7.039 -8.699 -1.197 1.00 0.00 C ATOM 887 C LEU A 56 -8.152 -9.681 -0.820 1.00 0.00 C ATOM 888 O LEU A 56 -8.353 -9.980 0.357 1.00 0.00 O ATOM 889 CB LEU A 56 -7.606 -7.278 -1.282 1.00 0.00 C ATOM 890 CG LEU A 56 -6.588 -6.160 -1.037 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.106 -5.579 -2.357 1.00 0.00 C ATOM 892 CD2 LEU A 56 -7.191 -5.071 -0.162 1.00 0.00 C ATOM 0 H LEU A 56 -6.504 -8.384 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.274 -8.733 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.047 -7.137 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.412 -7.180 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.730 -6.584 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.383 -4.786 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.634 -6.363 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.954 -5.171 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.453 -4.285 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.066 -4.650 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.486 -5.497 0.797 1.00 0.00 H new ATOM 904 N SER A 57 -8.882 -10.170 -1.824 1.00 0.00 N ATOM 905 CA SER A 57 -9.984 -11.105 -1.587 1.00 0.00 C ATOM 906 C SER A 57 -9.516 -12.377 -0.875 1.00 0.00 C ATOM 907 O SER A 57 -10.193 -12.872 0.025 1.00 0.00 O ATOM 908 CB SER A 57 -10.664 -11.475 -2.909 1.00 0.00 C ATOM 909 OG SER A 57 -11.480 -12.625 -2.760 1.00 0.00 O ATOM 0 H SER A 57 -8.731 -9.936 -2.805 1.00 0.00 H new ATOM 0 HA SER A 57 -10.698 -10.601 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.270 -10.638 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.907 -11.659 -3.672 1.00 0.00 H new ATOM 0 HG SER A 57 -11.904 -12.839 -3.617 1.00 0.00 H new ATOM 915 N ASP A 58 -8.367 -12.915 -1.285 1.00 0.00 N ATOM 916 CA ASP A 58 -7.845 -14.140 -0.677 1.00 0.00 C ATOM 917 C ASP A 58 -7.655 -13.993 0.836 1.00 0.00 C ATOM 918 O ASP A 58 -7.680 -14.987 1.562 1.00 0.00 O ATOM 919 CB ASP A 58 -6.525 -14.567 -1.336 1.00 0.00 C ATOM 920 CG ASP A 58 -5.382 -13.608 -1.059 1.00 0.00 C ATOM 921 OD1 ASP A 58 -5.215 -13.199 0.109 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.650 -13.270 -2.012 1.00 0.00 O ATOM 0 H ASP A 58 -7.785 -12.527 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.590 -14.918 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.252 -15.560 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.673 -14.645 -2.413 1.00 0.00 H new ATOM 927 N TYR A 59 -7.465 -12.762 1.316 1.00 0.00 N ATOM 928 CA TYR A 59 -7.275 -12.530 2.746 1.00 0.00 C ATOM 929 C TYR A 59 -8.579 -12.101 3.430 1.00 0.00 C ATOM 930 O TYR A 59 -8.560 -11.647 4.574 1.00 0.00 O ATOM 931 CB TYR A 59 -6.193 -11.470 2.971 1.00 0.00 C ATOM 932 CG TYR A 59 -4.910 -12.026 3.548 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.356 -13.200 3.053 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.253 -11.378 4.586 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.184 -13.712 3.576 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.081 -11.883 5.114 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.551 -13.050 4.606 1.00 0.00 C ATOM 938 OH TYR A 59 -1.383 -13.558 5.130 1.00 0.00 O ATOM 0 H TYR A 59 -7.439 -11.920 0.741 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.958 -13.472 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.973 -10.981 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.581 -10.704 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.850 -13.721 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.665 -10.464 4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.766 -14.626 3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.582 -11.366 5.921 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.995 -12.909 5.754 1.00 0.00 H new ATOM 948 N ASN A 60 -9.711 -12.251 2.737 1.00 0.00 N ATOM 949 CA ASN A 60 -11.007 -11.881 3.299 1.00 0.00 C ATOM 950 C ASN A 60 -11.023 -10.428 3.782 1.00 0.00 C ATOM 951 O ASN A 60 -11.766 -10.087 4.703 1.00 0.00 O ATOM 952 CB ASN A 60 -11.365 -12.814 4.457 1.00 0.00 C ATOM 953 CG ASN A 60 -11.170 -14.278 4.101 1.00 0.00 C ATOM 954 OD1 ASN A 60 -10.113 -14.669 3.605 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.188 -15.099 4.352 1.00 0.00 N ATOM 0 H ASN A 60 -9.754 -12.625 1.789 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.748 -11.980 2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.749 -12.568 5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.403 -12.648 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.109 -16.092 4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.047 -14.735 4.764 1.00 0.00 H new ATOM 962 N ILE A 61 -10.214 -9.571 3.159 1.00 0.00 N ATOM 963 CA ILE A 61 -10.164 -8.164 3.543 1.00 0.00 C ATOM 964 C ILE A 61 -11.190 -7.350 2.753 1.00 0.00 C ATOM 965 O ILE A 61 -10.932 -6.934 1.623 1.00 0.00 O ATOM 966 CB ILE A 61 -8.750 -7.572 3.343 1.00 0.00 C ATOM 967 CG1 ILE A 61 -8.677 -6.139 3.891 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.343 -7.621 1.875 1.00 0.00 C ATOM 969 CD1 ILE A 61 -9.380 -5.103 3.036 1.00 0.00 C ATOM 0 H ILE A 61 -9.590 -9.825 2.393 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.409 -8.107 4.604 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.043 -8.182 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.112 -6.123 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.630 -5.856 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.345 -7.199 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.341 -8.656 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.052 -7.043 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.278 -4.121 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.931 -5.086 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.437 -5.357 2.952 1.00 0.00 H new ATOM 981 N GLN A 62 -12.359 -7.126 3.351 1.00 0.00 N ATOM 982 CA GLN A 62 -13.417 -6.365 2.693 1.00 0.00 C ATOM 983 C GLN A 62 -13.372 -4.895 3.105 1.00 0.00 C ATOM 984 O GLN A 62 -12.609 -4.513 3.991 1.00 0.00 O ATOM 985 CB GLN A 62 -14.787 -6.958 3.025 1.00 0.00 C ATOM 986 CG GLN A 62 -15.119 -6.932 4.509 1.00 0.00 C ATOM 987 CD GLN A 62 -15.285 -8.321 5.098 1.00 0.00 C ATOM 988 OE1 GLN A 62 -14.489 -8.750 5.934 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.321 -9.037 4.664 1.00 0.00 N ATOM 0 H GLN A 62 -12.596 -7.459 4.285 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.254 -6.426 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.554 -6.407 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.823 -7.988 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.328 -6.407 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -16.038 -6.365 4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.957 -8.644 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.478 -9.978 5.025 1.00 0.00 H new ATOM 998 N LYS A 63 -14.196 -4.072 2.453 1.00 0.00 N ATOM 999 CA LYS A 63 -14.245 -2.640 2.755 1.00 0.00 C ATOM 1000 C LYS A 63 -14.397 -2.396 4.257 1.00 0.00 C ATOM 1001 O LYS A 63 -14.903 -3.250 4.984 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.397 -1.969 2.001 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.752 -2.608 2.260 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.623 -2.592 1.014 1.00 0.00 C ATOM 1005 CE LYS A 63 -17.033 -3.451 -0.093 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.114 -2.781 -1.420 1.00 0.00 N ATOM 0 H LYS A 63 -14.835 -4.370 1.716 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.302 -2.202 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.441 -0.917 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.188 -2.003 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.613 -3.636 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.258 -2.076 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.621 -2.953 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.734 -1.567 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.991 -3.675 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.562 -4.403 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.701 -3.400 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.110 -2.590 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.588 -1.884 -1.389 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.953 -1.225 4.713 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.038 -0.873 6.127 1.00 0.00 C ATOM 1022 C GLU A 64 -13.185 -1.809 6.990 1.00 0.00 C ATOM 1023 O GLU A 64 -13.423 -1.938 8.192 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.495 -0.915 6.598 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.140 0.458 6.703 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.868 0.861 5.435 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.049 -0.004 4.551 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.258 2.042 5.326 1.00 0.00 O ATOM 0 H GLU A 64 -13.532 -0.507 4.124 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.651 0.140 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.074 -1.527 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.540 -1.404 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.842 0.462 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.373 1.199 6.928 1.00 0.00 H new ATOM 1035 N SER A 65 -12.189 -2.456 6.382 1.00 0.00 N ATOM 1036 CA SER A 65 -11.315 -3.367 7.118 1.00 0.00 C ATOM 1037 C SER A 65 -10.315 -2.589 7.970 1.00 0.00 C ATOM 1038 O SER A 65 -10.282 -1.359 7.936 1.00 0.00 O ATOM 1039 CB SER A 65 -10.569 -4.295 6.155 1.00 0.00 C ATOM 1040 OG SER A 65 -11.264 -5.518 5.983 1.00 0.00 O ATOM 0 H SER A 65 -11.970 -2.366 5.390 1.00 0.00 H new ATOM 0 HA SER A 65 -11.939 -3.971 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.449 -3.802 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.568 -4.493 6.538 1.00 0.00 H new ATOM 0 HG SER A 65 -12.012 -5.385 5.365 1.00 0.00 H new ATOM 1046 N THR A 66 -9.495 -3.312 8.730 1.00 0.00 N ATOM 1047 CA THR A 66 -8.492 -2.683 9.581 1.00 0.00 C ATOM 1048 C THR A 66 -7.094 -2.883 9.000 1.00 0.00 C ATOM 1049 O THR A 66 -6.358 -3.774 9.425 1.00 0.00 O ATOM 1050 CB THR A 66 -8.557 -3.260 10.998 1.00 0.00 C ATOM 1051 OG1 THR A 66 -9.902 -3.486 11.393 1.00 0.00 O ATOM 1052 CG2 THR A 66 -7.912 -2.369 12.038 1.00 0.00 C ATOM 0 H THR A 66 -9.507 -4.331 8.773 1.00 0.00 H new ATOM 0 HA THR A 66 -8.703 -1.614 9.625 1.00 0.00 H new ATOM 0 HB THR A 66 -8.001 -4.196 10.952 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.919 -3.856 12.300 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.993 -2.837 13.019 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.860 -2.224 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.417 -1.403 12.054 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.734 -2.054 8.020 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.426 -2.151 7.384 1.00 0.00 C ATOM 1062 C LEU A 67 -4.455 -1.125 7.964 1.00 0.00 C ATOM 1063 O LEU A 67 -4.603 0.076 7.741 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.556 -1.949 5.871 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.639 -2.828 5.020 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.316 -4.150 4.696 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.242 -2.102 3.743 1.00 0.00 C ATOM 0 H LEU A 67 -7.329 -1.312 7.652 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.030 -3.147 7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.589 -2.141 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.349 -0.904 5.640 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.735 -3.038 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.648 -4.762 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.549 -4.676 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.237 -3.962 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.589 -2.742 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.136 -1.862 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.716 -1.182 3.996 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.458 -1.606 8.706 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.466 -0.727 9.312 1.00 0.00 C ATOM 1081 C HIS A 68 -1.127 -0.844 8.586 1.00 0.00 C ATOM 1082 O HIS A 68 -0.583 -1.939 8.444 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.291 -1.064 10.795 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.445 0.119 11.699 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.667 0.563 12.157 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -1.520 0.951 12.235 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.488 1.618 12.933 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -2.194 1.874 12.996 1.00 0.00 N ATOM 0 H HIS A 68 -3.318 -2.598 8.900 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.820 0.300 9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.021 -1.823 11.075 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.304 -1.500 10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.451 0.898 12.091 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.267 2.176 13.431 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.765 2.634 13.524 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.597 0.288 8.125 1.00 0.00 N ATOM 1098 CA LEU A 69 0.677 0.298 7.415 1.00 0.00 C ATOM 1099 C LEU A 69 1.832 0.581 8.372 1.00 0.00 C ATOM 1100 O LEU A 69 1.616 0.859 9.552 1.00 0.00 O ATOM 1101 CB LEU A 69 0.657 1.343 6.296 1.00 0.00 C ATOM 1102 CG LEU A 69 0.166 0.831 4.941 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.308 0.466 5.013 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.407 1.873 3.859 1.00 0.00 C ATOM 0 H LEU A 69 -1.030 1.206 8.231 1.00 0.00 H new ATOM 0 HA LEU A 69 0.826 -0.689 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.022 2.173 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.664 1.741 6.174 1.00 0.00 H new ATOM 0 HG LEU A 69 0.730 -0.066 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.641 0.104 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.454 -0.314 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.888 1.346 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.052 1.492 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.131 2.787 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.474 2.087 3.791 1.00 0.00 H new ATOM 1116 N VAL A 70 3.060 0.507 7.861 1.00 0.00 N ATOM 1117 CA VAL A 70 4.240 0.755 8.679 1.00 0.00 C ATOM 1118 C VAL A 70 4.828 2.134 8.389 1.00 0.00 C ATOM 1119 O VAL A 70 4.858 2.576 7.241 1.00 0.00 O ATOM 1120 CB VAL A 70 5.324 -0.315 8.443 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.482 -0.128 9.412 1.00 0.00 C ATOM 1122 CG2 VAL A 70 4.734 -1.711 8.570 1.00 0.00 C ATOM 0 H VAL A 70 3.261 0.278 6.888 1.00 0.00 H new ATOM 0 HA VAL A 70 3.919 0.710 9.720 1.00 0.00 H new ATOM 0 HB VAL A 70 5.707 -0.198 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.237 -0.893 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.923 0.858 9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.118 -0.215 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.514 -2.453 8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.321 -1.842 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.943 -1.840 7.831 1.00 0.00 H new ATOM 1132 N LEU A 71 5.296 2.814 9.436 1.00 0.00 N ATOM 1133 CA LEU A 71 5.880 4.143 9.282 1.00 0.00 C ATOM 1134 C LEU A 71 7.299 4.051 8.726 1.00 0.00 C ATOM 1135 O LEU A 71 8.120 3.281 9.224 1.00 0.00 O ATOM 1136 CB LEU A 71 5.893 4.885 10.621 1.00 0.00 C ATOM 1137 CG LEU A 71 4.534 4.988 11.316 1.00 0.00 C ATOM 1138 CD1 LEU A 71 4.692 4.859 12.823 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.853 6.301 10.960 1.00 0.00 C ATOM 0 H LEU A 71 5.282 2.467 10.395 1.00 0.00 H new ATOM 0 HA LEU A 71 5.264 4.700 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.590 4.382 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.278 5.892 10.458 1.00 0.00 H new ATOM 0 HG LEU A 71 3.906 4.168 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.714 4.935 13.299 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.137 3.893 13.061 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.338 5.657 13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.888 6.358 11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.479 7.134 11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.704 6.353 9.881 1.00 0.00 H new