USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 37 ASN : amide:sc= 0.994 K(o=3.9,f=2.7) USER MOD Set 1.2: A 42 THR OG1 : rot -78:sc= 1.39 USER MOD Set 1.3: A 44 THR OG1 : rot -101:sc= 1.49 USER MOD Set 2.1: A 12 MET CE :methyl -145:sc= -0.0152 (180deg=-0.786) USER MOD Set 2.2: A 14 CYS SG : rot 33:sc= 0.34 USER MOD Single : A 1 VAL N :NH3+ 180:sc=-0.00555 (180deg=-0.00555) USER MOD Single : A 2 THR OG1 : rot 124:sc= 1.28 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 21:sc= 0.66 USER MOD Single : A 19 ASN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 26 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-0.96) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.08 K(o=1.1,f=-0.32) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.142 K(o=0.14,f=-5.7!) USER MOD Single : A 50 LYS NZ :NH3+ 128:sc= 1.15 (180deg=0.429) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= -0.309 (180deg=-0.365) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00352 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.06) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0178) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.029) USER MOD Single : A 74 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.253 13.631 9.255 1.00 10.00 N ATOM 2 CA VAL A 1 -9.193 12.321 9.923 1.00 10.00 C ATOM 3 C VAL A 1 -8.152 11.444 9.228 1.00 10.00 C ATOM 4 O VAL A 1 -7.111 11.148 9.810 1.00 10.00 O ATOM 5 CB VAL A 1 -10.591 11.680 10.060 1.00 10.00 C ATOM 6 CG1 VAL A 1 -11.426 11.609 8.770 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.493 10.281 10.677 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.961 14.229 9.727 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.321 14.090 9.307 1.00 10.00 H new ATOM 0 H3 VAL A 1 -9.519 13.500 8.258 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.860 12.445 10.953 1.00 10.00 H new ATOM 0 HB VAL A 1 -11.127 12.363 10.719 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -12.387 11.141 8.984 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -11.590 12.616 8.387 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.893 11.019 8.024 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.491 9.851 10.763 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -9.877 9.645 10.041 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.041 10.351 11.667 1.00 10.00 H new ATOM 19 N THR A 2 -8.404 11.101 7.969 1.00 10.00 N ATOM 20 CA THR A 2 -7.597 10.222 7.149 1.00 10.00 C ATOM 21 C THR A 2 -7.747 10.706 5.706 1.00 10.00 C ATOM 22 O THR A 2 -8.550 11.604 5.444 1.00 10.00 O ATOM 23 CB THR A 2 -8.102 8.781 7.318 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.505 8.792 7.473 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.500 8.107 8.551 1.00 10.00 C ATOM 0 H THR A 2 -9.223 11.451 7.472 1.00 10.00 H new ATOM 0 HA THR A 2 -6.545 10.237 7.435 1.00 10.00 H new ATOM 0 HB THR A 2 -7.803 8.225 6.430 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.915 8.228 6.784 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.883 7.090 8.633 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.414 8.079 8.457 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.772 8.671 9.443 1.00 10.00 H new ATOM 33 N GLU A 3 -6.942 10.147 4.806 1.00 10.00 N ATOM 34 CA GLU A 3 -6.757 10.559 3.438 1.00 10.00 C ATOM 35 C GLU A 3 -6.569 9.285 2.616 1.00 10.00 C ATOM 36 O GLU A 3 -5.945 8.331 3.089 1.00 10.00 O ATOM 37 CB GLU A 3 -5.494 11.426 3.401 1.00 10.00 C ATOM 38 CG GLU A 3 -5.573 12.525 2.350 1.00 10.00 C ATOM 39 CD GLU A 3 -4.358 13.436 2.476 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.467 14.412 3.250 1.00 10.00 O ATOM 41 OE2 GLU A 3 -3.331 13.108 1.850 1.00 10.00 O ATOM 0 H GLU A 3 -6.366 9.338 5.041 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.598 11.128 3.040 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.337 11.876 4.381 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.629 10.794 3.198 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.611 12.087 1.353 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.489 13.102 2.480 1.00 10.00 H new ATOM 48 N LYS A 4 -7.111 9.274 1.398 1.00 10.00 N ATOM 49 CA LYS A 4 -6.937 8.182 0.457 1.00 10.00 C ATOM 50 C LYS A 4 -5.639 8.390 -0.316 1.00 10.00 C ATOM 51 O LYS A 4 -5.281 9.521 -0.635 1.00 10.00 O ATOM 52 CB LYS A 4 -8.117 8.128 -0.525 1.00 10.00 C ATOM 53 CG LYS A 4 -9.344 7.389 0.020 1.00 10.00 C ATOM 54 CD LYS A 4 -9.066 5.887 0.189 1.00 10.00 C ATOM 55 CE LYS A 4 -10.383 5.099 0.229 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.153 3.656 0.435 1.00 10.00 N ATOM 0 H LYS A 4 -7.688 10.034 1.039 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.896 7.241 1.006 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.405 9.146 -0.788 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.790 7.641 -1.444 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.632 7.817 0.980 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.186 7.531 -0.657 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.447 5.531 -0.634 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.505 5.716 1.108 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.013 5.485 1.031 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.926 5.251 -0.704 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.066 3.158 0.456 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.573 3.282 -0.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.658 3.509 1.337 1.00 10.00 H new ATOM 70 N ALA A 5 -4.959 7.294 -0.649 1.00 10.00 N ATOM 71 CA ALA A 5 -3.773 7.309 -1.489 1.00 10.00 C ATOM 72 C ALA A 5 -3.766 6.014 -2.294 1.00 10.00 C ATOM 73 O ALA A 5 -4.091 4.962 -1.740 1.00 10.00 O ATOM 74 CB ALA A 5 -2.536 7.420 -0.600 1.00 10.00 C ATOM 0 H ALA A 5 -5.224 6.360 -0.336 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.771 8.159 -2.172 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.641 7.432 -1.222 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.587 8.341 -0.019 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.496 6.566 0.077 1.00 10.00 H new ATOM 80 N GLU A 6 -3.421 6.085 -3.585 1.00 10.00 N ATOM 81 CA GLU A 6 -3.262 4.928 -4.441 1.00 10.00 C ATOM 82 C GLU A 6 -1.863 4.898 -5.017 1.00 10.00 C ATOM 83 O GLU A 6 -1.250 5.948 -5.225 1.00 10.00 O ATOM 84 CB GLU A 6 -4.287 4.948 -5.568 1.00 10.00 C ATOM 85 CG GLU A 6 -5.633 4.499 -5.013 1.00 10.00 C ATOM 86 CD GLU A 6 -6.583 4.011 -6.091 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.522 4.561 -7.208 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.348 3.080 -5.759 1.00 10.00 O ATOM 0 H GLU A 6 -3.244 6.969 -4.062 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.423 4.031 -3.842 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.367 5.951 -5.988 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.973 4.288 -6.376 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.473 3.701 -4.288 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.095 5.329 -4.477 1.00 10.00 H new ATOM 95 N PHE A 7 -1.382 3.677 -5.251 1.00 10.00 N ATOM 96 CA PHE A 7 0.006 3.399 -5.568 1.00 10.00 C ATOM 97 C PHE A 7 0.109 2.274 -6.599 1.00 10.00 C ATOM 98 O PHE A 7 -0.650 1.304 -6.538 1.00 10.00 O ATOM 99 CB PHE A 7 0.798 3.054 -4.293 1.00 10.00 C ATOM 100 CG PHE A 7 0.356 3.714 -3.007 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.804 3.241 -2.377 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.134 4.704 -2.380 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.251 3.826 -1.192 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.694 5.278 -1.174 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.485 4.816 -0.565 1.00 10.00 C ATOM 0 H PHE A 7 -1.965 2.840 -5.223 1.00 10.00 H new ATOM 0 HA PHE A 7 0.445 4.297 -6.003 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.756 1.974 -4.151 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.843 3.312 -4.464 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.354 2.419 -2.811 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.066 5.022 -2.823 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.189 3.515 -0.758 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.262 6.074 -0.716 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.799 5.224 0.384 1.00 10.00 H new ATOM 115 N ASP A 8 1.056 2.418 -7.529 1.00 10.00 N ATOM 116 CA ASP A 8 1.223 1.591 -8.714 1.00 10.00 C ATOM 117 C ASP A 8 2.290 0.527 -8.427 1.00 10.00 C ATOM 118 O ASP A 8 3.328 0.859 -7.847 1.00 10.00 O ATOM 119 CB ASP A 8 1.636 2.512 -9.876 1.00 10.00 C ATOM 120 CG ASP A 8 0.795 2.269 -11.117 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.050 1.240 -11.773 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.079 3.125 -11.383 1.00 10.00 O ATOM 0 H ASP A 8 1.760 3.154 -7.467 1.00 10.00 H new ATOM 0 HA ASP A 8 0.300 1.077 -8.982 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.536 3.553 -9.568 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.688 2.349 -10.112 1.00 10.00 H new ATOM 127 N ILE A 9 2.011 -0.742 -8.752 1.00 10.00 N ATOM 128 CA ILE A 9 2.823 -1.897 -8.378 1.00 10.00 C ATOM 129 C ILE A 9 3.594 -2.430 -9.581 1.00 10.00 C ATOM 130 O ILE A 9 2.987 -2.861 -10.559 1.00 10.00 O ATOM 131 CB ILE A 9 1.937 -3.013 -7.781 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.735 -2.496 -6.983 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.793 -3.876 -6.854 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.199 -1.593 -5.858 1.00 10.00 C ATOM 0 H ILE A 9 1.188 -0.996 -9.299 1.00 10.00 H new ATOM 0 HA ILE A 9 3.539 -1.574 -7.622 1.00 10.00 H new ATOM 0 HB ILE A 9 1.539 -3.577 -8.625 1.00 10.00 H new ATOM 0 HG12 ILE A 9 0.060 -1.950 -7.642 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.172 -3.336 -6.576 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.180 -4.668 -6.425 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.612 -4.318 -7.422 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.199 -3.258 -6.053 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.334 -1.233 -5.300 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.855 -2.151 -5.190 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.742 -0.744 -6.273 1.00 10.00 H new ATOM 146 N GLU A 10 4.927 -2.464 -9.494 1.00 10.00 N ATOM 147 CA GLU A 10 5.764 -3.029 -10.533 1.00 10.00 C ATOM 148 C GLU A 10 6.176 -4.419 -10.043 1.00 10.00 C ATOM 149 O GLU A 10 7.245 -4.581 -9.451 1.00 10.00 O ATOM 150 CB GLU A 10 6.950 -2.088 -10.800 1.00 10.00 C ATOM 151 CG GLU A 10 7.380 -2.076 -12.267 1.00 10.00 C ATOM 152 CD GLU A 10 8.772 -1.477 -12.400 1.00 10.00 C ATOM 153 OE1 GLU A 10 9.740 -2.264 -12.289 1.00 10.00 O ATOM 154 OE2 GLU A 10 8.868 -0.238 -12.496 1.00 10.00 O ATOM 0 H GLU A 10 5.448 -2.098 -8.697 1.00 10.00 H new ATOM 0 HA GLU A 10 5.251 -3.133 -11.489 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.680 -1.076 -10.497 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.795 -2.391 -10.181 1.00 10.00 H new ATOM 0 HG2 GLU A 10 7.373 -3.091 -12.664 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.669 -1.498 -12.857 1.00 10.00 H new ATOM 161 N GLY A 11 5.302 -5.409 -10.254 1.00 10.00 N ATOM 162 CA GLY A 11 5.585 -6.800 -9.927 1.00 10.00 C ATOM 163 C GLY A 11 4.790 -7.299 -8.725 1.00 10.00 C ATOM 164 O GLY A 11 5.184 -7.065 -7.591 1.00 10.00 O ATOM 0 H GLY A 11 4.377 -5.262 -10.658 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.359 -7.425 -10.791 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.650 -6.911 -9.724 1.00 10.00 H new ATOM 168 N MET A 12 3.701 -8.038 -8.949 1.00 10.00 N ATOM 169 CA MET A 12 2.983 -8.748 -7.899 1.00 10.00 C ATOM 170 C MET A 12 2.172 -9.872 -8.553 1.00 10.00 C ATOM 171 O MET A 12 1.975 -9.848 -9.764 1.00 10.00 O ATOM 172 CB MET A 12 2.087 -7.773 -7.119 1.00 10.00 C ATOM 173 CG MET A 12 1.000 -7.200 -8.045 1.00 10.00 C ATOM 174 SD MET A 12 -0.122 -5.958 -7.370 1.00 10.00 S ATOM 175 CE MET A 12 -0.834 -6.842 -5.975 1.00 10.00 C ATOM 0 H MET A 12 3.292 -8.159 -9.876 1.00 10.00 H new ATOM 0 HA MET A 12 3.678 -9.184 -7.181 1.00 10.00 H new ATOM 0 HB2 MET A 12 1.624 -8.287 -6.276 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.689 -6.963 -6.707 1.00 10.00 H new ATOM 0 HG2 MET A 12 1.496 -6.765 -8.913 1.00 10.00 H new ATOM 0 HG3 MET A 12 0.397 -8.033 -8.407 1.00 10.00 H new ATOM 0 HE1 MET A 12 -1.876 -6.547 -5.851 1.00 10.00 H new ATOM 0 HE2 MET A 12 -0.780 -7.915 -6.158 1.00 10.00 H new ATOM 0 HE3 MET A 12 -0.278 -6.600 -5.069 1.00 10.00 H new ATOM 185 N THR A 13 1.687 -10.835 -7.760 1.00 10.00 N ATOM 186 CA THR A 13 0.880 -11.946 -8.270 1.00 10.00 C ATOM 187 C THR A 13 -0.619 -11.603 -8.311 1.00 10.00 C ATOM 188 O THR A 13 -1.376 -12.286 -8.992 1.00 10.00 O ATOM 189 CB THR A 13 1.187 -13.226 -7.467 1.00 10.00 C ATOM 190 OG1 THR A 13 0.831 -14.389 -8.181 1.00 10.00 O ATOM 191 CG2 THR A 13 0.451 -13.267 -6.126 1.00 10.00 C ATOM 0 H THR A 13 1.843 -10.865 -6.752 1.00 10.00 H new ATOM 0 HA THR A 13 1.157 -12.132 -9.308 1.00 10.00 H new ATOM 0 HB THR A 13 2.263 -13.201 -7.293 1.00 10.00 H new ATOM 0 HG1 THR A 13 1.041 -15.180 -7.643 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.702 -14.189 -5.601 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.750 -12.411 -5.520 1.00 10.00 H new ATOM 0 HG23 THR A 13 -0.624 -13.230 -6.300 1.00 10.00 H new ATOM 199 N CYS A 14 -1.065 -10.572 -7.575 1.00 10.00 N ATOM 200 CA CYS A 14 -2.468 -10.173 -7.510 1.00 10.00 C ATOM 201 C CYS A 14 -3.319 -11.260 -6.852 1.00 10.00 C ATOM 202 O CYS A 14 -4.342 -11.686 -7.375 1.00 10.00 O ATOM 203 CB CYS A 14 -3.004 -9.685 -8.867 1.00 10.00 C ATOM 204 SG CYS A 14 -2.739 -7.901 -9.024 1.00 10.00 S ATOM 0 H CYS A 14 -0.450 -9.991 -7.005 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.541 -9.301 -6.861 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.499 -10.210 -9.678 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -4.066 -9.913 -8.952 1.00 10.00 H new ATOM 0 HG CYS A 14 -1.649 -7.568 -8.400 1.00 10.00 H new ATOM 210 N ALA A 15 -2.910 -11.656 -5.643 1.00 10.00 N ATOM 211 CA ALA A 15 -3.682 -12.515 -4.755 1.00 10.00 C ATOM 212 C ALA A 15 -2.999 -12.552 -3.388 1.00 10.00 C ATOM 213 O ALA A 15 -3.297 -11.743 -2.506 1.00 10.00 O ATOM 214 CB ALA A 15 -3.847 -13.921 -5.358 1.00 10.00 C ATOM 0 H ALA A 15 -2.011 -11.379 -5.250 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.687 -12.112 -4.631 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -4.427 -14.543 -4.676 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -4.366 -13.848 -6.314 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -2.865 -14.369 -5.512 1.00 10.00 H new ATOM 220 N ALA A 16 -2.032 -13.458 -3.230 1.00 10.00 N ATOM 221 CA ALA A 16 -1.321 -13.646 -1.982 1.00 10.00 C ATOM 222 C ALA A 16 -0.451 -12.426 -1.735 1.00 10.00 C ATOM 223 O ALA A 16 -0.375 -11.924 -0.618 1.00 10.00 O ATOM 224 CB ALA A 16 -0.478 -14.922 -2.052 1.00 10.00 C ATOM 0 H ALA A 16 -1.724 -14.082 -3.976 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.023 -13.757 -1.156 1.00 10.00 H new ATOM 0 HB1 ALA A 16 0.055 -15.058 -1.111 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.129 -15.779 -2.228 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.241 -14.839 -2.867 1.00 10.00 H new ATOM 230 N CYS A 17 0.206 -11.936 -2.792 1.00 10.00 N ATOM 231 CA CYS A 17 1.085 -10.794 -2.644 1.00 10.00 C ATOM 232 C CYS A 17 0.288 -9.588 -2.186 1.00 10.00 C ATOM 233 O CYS A 17 0.592 -9.053 -1.126 1.00 10.00 O ATOM 234 CB CYS A 17 1.945 -10.514 -3.877 1.00 10.00 C ATOM 235 SG CYS A 17 3.168 -11.841 -4.041 1.00 10.00 S ATOM 0 H CYS A 17 0.142 -12.311 -3.738 1.00 10.00 H new ATOM 0 HA CYS A 17 1.813 -11.037 -1.870 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.321 -10.462 -4.769 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.444 -9.550 -3.780 1.00 10.00 H new ATOM 0 HG CYS A 17 2.761 -12.889 -3.388 1.00 10.00 H new ATOM 241 N ALA A 18 -0.765 -9.235 -2.937 1.00 10.00 N ATOM 242 CA ALA A 18 -1.775 -8.253 -2.544 1.00 10.00 C ATOM 243 C ALA A 18 -2.103 -8.384 -1.051 1.00 10.00 C ATOM 244 O ALA A 18 -1.907 -7.448 -0.276 1.00 10.00 O ATOM 245 CB ALA A 18 -3.028 -8.430 -3.403 1.00 10.00 C ATOM 0 H ALA A 18 -0.939 -9.638 -3.858 1.00 10.00 H new ATOM 0 HA ALA A 18 -1.381 -7.250 -2.708 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.778 -7.697 -3.107 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.773 -8.285 -4.453 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.427 -9.434 -3.262 1.00 10.00 H new ATOM 251 N ASN A 19 -2.532 -9.585 -0.654 1.00 10.00 N ATOM 252 CA ASN A 19 -2.902 -9.874 0.735 1.00 10.00 C ATOM 253 C ASN A 19 -1.751 -9.627 1.718 1.00 10.00 C ATOM 254 O ASN A 19 -1.968 -9.221 2.860 1.00 10.00 O ATOM 255 CB ASN A 19 -3.428 -11.309 0.877 1.00 10.00 C ATOM 256 CG ASN A 19 -4.929 -11.384 0.623 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.703 -11.630 1.542 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.346 -11.202 -0.626 1.00 10.00 N ATOM 0 H ASN A 19 -2.633 -10.382 -1.283 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.699 -9.177 0.993 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.907 -11.959 0.175 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.209 -11.680 1.878 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.340 -11.265 -0.846 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.672 -10.999 -1.364 1.00 10.00 H new ATOM 265 N ARG A 20 -0.514 -9.892 1.297 1.00 10.00 N ATOM 266 CA ARG A 20 0.669 -9.651 2.097 1.00 10.00 C ATOM 267 C ARG A 20 0.856 -8.134 2.247 1.00 10.00 C ATOM 268 O ARG A 20 1.133 -7.652 3.348 1.00 10.00 O ATOM 269 CB ARG A 20 1.880 -10.357 1.455 1.00 10.00 C ATOM 270 CG ARG A 20 2.854 -10.872 2.521 1.00 10.00 C ATOM 271 CD ARG A 20 4.160 -11.427 1.928 1.00 10.00 C ATOM 272 NE ARG A 20 4.014 -12.775 1.340 1.00 10.00 N ATOM 273 CZ ARG A 20 3.997 -13.077 0.029 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.808 -12.107 -0.872 1.00 10.00 N ATOM 275 NH2 ARG A 20 4.170 -14.345 -0.366 1.00 10.00 N ATOM 0 H ARG A 20 -0.312 -10.285 0.378 1.00 10.00 H new ATOM 0 HA ARG A 20 0.565 -10.069 3.098 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.535 -11.190 0.842 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.397 -9.665 0.791 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.091 -10.061 3.210 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.366 -11.653 3.104 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.522 -10.742 1.161 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.919 -11.460 2.709 1.00 10.00 H new ATOM 0 HE ARG A 20 3.917 -13.553 1.992 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.678 -11.143 -0.564 1.00 10.00 H new ATOM 0 HH12 ARG A 20 3.794 -12.331 -1.867 1.00 10.00 H new ATOM 0 HH21 ARG A 20 4.314 -15.080 0.327 1.00 10.00 H new ATOM 0 HH22 ARG A 20 4.157 -14.576 -1.359 1.00 10.00 H new ATOM 289 N ILE A 21 0.678 -7.382 1.150 1.00 10.00 N ATOM 290 CA ILE A 21 0.785 -5.928 1.181 1.00 10.00 C ATOM 291 C ILE A 21 -0.178 -5.350 2.216 1.00 10.00 C ATOM 292 O ILE A 21 0.240 -4.511 3.008 1.00 10.00 O ATOM 293 CB ILE A 21 0.587 -5.234 -0.184 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.017 -6.063 -1.395 1.00 10.00 C ATOM 295 CG2 ILE A 21 1.380 -3.928 -0.168 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.149 -5.287 -2.711 1.00 10.00 C ATOM 0 H ILE A 21 0.459 -7.765 0.231 1.00 10.00 H new ATOM 0 HA ILE A 21 1.817 -5.718 1.463 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.485 -5.076 -0.303 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.976 -6.531 -1.171 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.295 -6.867 -1.538 1.00 10.00 H new ATOM 0 HG21 ILE A 21 1.257 -3.416 -1.123 1.00 10.00 H new ATOM 0 HG22 ILE A 21 1.013 -3.290 0.636 1.00 10.00 H new ATOM 0 HG23 ILE A 21 2.436 -4.145 -0.006 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.458 -5.967 -3.505 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.188 -4.841 -2.969 1.00 10.00 H new ATOM 0 HD13 ILE A 21 1.895 -4.500 -2.596 1.00 10.00 H new ATOM 308 N GLU A 22 -1.439 -5.808 2.231 1.00 10.00 N ATOM 309 CA GLU A 22 -2.436 -5.349 3.199 1.00 10.00 C ATOM 310 C GLU A 22 -1.843 -5.279 4.609 1.00 10.00 C ATOM 311 O GLU A 22 -1.886 -4.242 5.264 1.00 10.00 O ATOM 312 CB GLU A 22 -3.658 -6.276 3.235 1.00 10.00 C ATOM 313 CG GLU A 22 -4.418 -6.396 1.910 1.00 10.00 C ATOM 314 CD GLU A 22 -5.590 -7.362 2.037 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.078 -7.524 3.178 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.947 -7.950 0.995 1.00 10.00 O ATOM 0 H GLU A 22 -1.791 -6.504 1.574 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.746 -4.355 2.877 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.332 -7.270 3.541 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.346 -5.916 4.000 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.782 -5.415 1.606 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.741 -6.741 1.128 1.00 10.00 H new ATOM 323 N LYS A 23 -1.277 -6.390 5.084 1.00 10.00 N ATOM 324 CA LYS A 23 -0.714 -6.515 6.411 1.00 10.00 C ATOM 325 C LYS A 23 0.558 -5.680 6.531 1.00 10.00 C ATOM 326 O LYS A 23 0.742 -4.983 7.530 1.00 10.00 O ATOM 327 CB LYS A 23 -0.496 -8.006 6.680 1.00 10.00 C ATOM 328 CG LYS A 23 -1.857 -8.638 7.025 1.00 10.00 C ATOM 329 CD LYS A 23 -1.938 -10.134 6.682 1.00 10.00 C ATOM 330 CE LYS A 23 -3.282 -10.474 6.017 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.446 -10.223 6.893 1.00 10.00 N ATOM 0 H LYS A 23 -1.200 -7.245 4.534 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.388 -6.124 7.173 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.063 -8.491 5.805 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.207 -8.145 7.502 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -2.052 -8.505 8.089 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.643 -8.106 6.488 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -1.119 -10.403 6.014 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.817 -10.726 7.589 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.388 -9.886 5.106 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.278 -11.523 5.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.318 -10.503 6.400 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.349 -10.778 7.767 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.491 -9.211 7.128 1.00 10.00 H new ATOM 345 N ARG A 24 1.420 -5.716 5.510 1.00 10.00 N ATOM 346 CA ARG A 24 2.594 -4.845 5.481 1.00 10.00 C ATOM 347 C ARG A 24 2.218 -3.372 5.679 1.00 10.00 C ATOM 348 O ARG A 24 2.960 -2.634 6.315 1.00 10.00 O ATOM 349 CB ARG A 24 3.395 -5.009 4.182 1.00 10.00 C ATOM 350 CG ARG A 24 4.791 -5.604 4.398 1.00 10.00 C ATOM 351 CD ARG A 24 5.636 -4.877 5.459 1.00 10.00 C ATOM 352 NE ARG A 24 5.849 -5.689 6.666 1.00 10.00 N ATOM 353 CZ ARG A 24 6.671 -6.746 6.747 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.339 -7.146 5.660 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.811 -7.396 7.908 1.00 10.00 N ATOM 0 H ARG A 24 1.327 -6.332 4.702 1.00 10.00 H new ATOM 0 HA ARG A 24 3.224 -5.154 6.315 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.837 -5.649 3.498 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.493 -4.037 3.699 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.686 -6.649 4.689 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.329 -5.589 3.450 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.602 -4.611 5.029 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.143 -3.945 5.735 1.00 10.00 H new ATOM 0 HE ARG A 24 5.332 -5.429 7.506 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.222 -6.648 4.777 1.00 10.00 H new ATOM 0 HH12 ARG A 24 7.966 -7.949 5.713 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.293 -7.088 8.731 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.436 -8.200 7.970 1.00 10.00 H new ATOM 369 N LEU A 25 1.085 -2.944 5.127 1.00 10.00 N ATOM 370 CA LEU A 25 0.558 -1.601 5.304 1.00 10.00 C ATOM 371 C LEU A 25 -0.128 -1.460 6.664 1.00 10.00 C ATOM 372 O LEU A 25 0.043 -0.458 7.349 1.00 10.00 O ATOM 373 CB LEU A 25 -0.408 -1.288 4.155 1.00 10.00 C ATOM 374 CG LEU A 25 0.264 -0.437 3.064 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.273 -0.841 1.690 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.063 1.033 3.324 1.00 10.00 C ATOM 0 H LEU A 25 0.500 -3.534 4.535 1.00 10.00 H new ATOM 0 HA LEU A 25 1.377 -0.883 5.283 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.769 -2.219 3.719 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.278 -0.760 4.545 1.00 10.00 H new ATOM 0 HG LEU A 25 1.343 -0.593 3.084 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.206 -0.236 0.920 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.057 -1.894 1.510 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.351 -0.681 1.659 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.406 1.651 2.559 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.143 1.176 3.294 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.314 1.322 4.305 1.00 10.00 H new ATOM 388 N ASN A 26 -0.894 -2.467 7.082 1.00 10.00 N ATOM 389 CA ASN A 26 -1.652 -2.430 8.329 1.00 10.00 C ATOM 390 C ASN A 26 -0.712 -2.276 9.528 1.00 10.00 C ATOM 391 O ASN A 26 -1.114 -1.838 10.600 1.00 10.00 O ATOM 392 CB ASN A 26 -2.516 -3.686 8.471 1.00 10.00 C ATOM 393 CG ASN A 26 -3.544 -3.560 9.592 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.038 -2.479 9.888 1.00 10.00 O ATOM 395 ND2 ASN A 26 -3.914 -4.680 10.210 1.00 10.00 N ATOM 0 H ASN A 26 -1.006 -3.336 6.560 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.313 -1.564 8.304 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.031 -3.878 7.530 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.874 -4.545 8.665 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.621 -4.647 10.945 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.491 -5.570 9.949 1.00 10.00 H new ATOM 402 N LYS A 27 0.556 -2.652 9.343 1.00 10.00 N ATOM 403 CA LYS A 27 1.617 -2.343 10.285 1.00 10.00 C ATOM 404 C LYS A 27 1.737 -0.855 10.630 1.00 10.00 C ATOM 405 O LYS A 27 2.044 -0.541 11.778 1.00 10.00 O ATOM 406 CB LYS A 27 2.951 -2.850 9.731 1.00 10.00 C ATOM 407 CG LYS A 27 3.211 -4.336 9.997 1.00 10.00 C ATOM 408 CD LYS A 27 3.298 -4.603 11.509 1.00 10.00 C ATOM 409 CE LYS A 27 2.039 -5.318 12.027 1.00 10.00 C ATOM 410 NZ LYS A 27 1.840 -5.087 13.474 1.00 10.00 N ATOM 0 H LYS A 27 0.870 -3.181 8.530 1.00 10.00 H new ATOM 0 HA LYS A 27 1.358 -2.849 11.215 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.977 -2.674 8.656 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.760 -2.266 10.169 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.412 -4.935 9.561 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.139 -4.642 9.513 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.177 -5.211 11.722 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.427 -3.660 12.040 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.167 -4.964 11.478 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.123 -6.388 11.837 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 0.982 -5.583 13.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.662 -5.447 13.999 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.735 -4.068 13.652 1.00 10.00 H new ATOM 424 N ILE A 28 1.576 0.048 9.661 1.00 10.00 N ATOM 425 CA ILE A 28 1.771 1.471 9.901 1.00 10.00 C ATOM 426 C ILE A 28 0.747 1.949 10.926 1.00 10.00 C ATOM 427 O ILE A 28 -0.448 1.720 10.766 1.00 10.00 O ATOM 428 CB ILE A 28 1.628 2.253 8.590 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.724 1.868 7.586 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.676 3.768 8.815 1.00 10.00 C ATOM 431 CD1 ILE A 28 2.130 1.874 6.194 1.00 10.00 C ATOM 0 H ILE A 28 1.311 -0.185 8.704 1.00 10.00 H new ATOM 0 HA ILE A 28 2.775 1.643 10.290 1.00 10.00 H new ATOM 0 HB ILE A 28 0.652 1.988 8.185 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.555 2.571 7.645 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.123 0.882 7.822 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.571 4.281 7.859 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.862 4.063 9.477 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.629 4.038 9.269 1.00 10.00 H new ATOM 0 HD11 ILE A 28 2.898 1.602 5.470 1.00 10.00 H new ATOM 0 HD12 ILE A 28 1.313 1.154 6.144 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.751 2.870 5.964 1.00 10.00 H new ATOM 443 N GLU A 29 1.215 2.632 11.966 1.00 10.00 N ATOM 444 CA GLU A 29 0.369 3.098 13.048 1.00 10.00 C ATOM 445 C GLU A 29 -0.778 3.981 12.536 1.00 10.00 C ATOM 446 O GLU A 29 -1.939 3.708 12.833 1.00 10.00 O ATOM 447 CB GLU A 29 1.254 3.785 14.093 1.00 10.00 C ATOM 448 CG GLU A 29 2.129 2.727 14.794 1.00 10.00 C ATOM 449 CD GLU A 29 3.370 3.307 15.463 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.376 4.530 15.714 1.00 10.00 O ATOM 451 OE2 GLU A 29 4.296 2.504 15.702 1.00 10.00 O ATOM 0 H GLU A 29 2.199 2.877 12.078 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.129 2.254 13.526 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.884 4.536 13.616 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.636 4.305 14.825 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.530 2.211 15.544 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.437 1.980 14.063 1.00 10.00 H new ATOM 458 N GLY A 30 -0.499 5.009 11.725 1.00 10.00 N ATOM 459 CA GLY A 30 -1.520 5.972 11.348 1.00 10.00 C ATOM 460 C GLY A 30 -2.294 5.518 10.120 1.00 10.00 C ATOM 461 O GLY A 30 -2.549 6.323 9.229 1.00 10.00 O ATOM 0 H GLY A 30 0.422 5.188 11.324 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.209 6.116 12.180 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.054 6.937 11.149 1.00 10.00 H new ATOM 465 N VAL A 31 -2.651 4.238 10.047 1.00 10.00 N ATOM 466 CA VAL A 31 -3.383 3.653 8.945 1.00 10.00 C ATOM 467 C VAL A 31 -4.823 3.406 9.392 1.00 10.00 C ATOM 468 O VAL A 31 -5.071 3.201 10.580 1.00 10.00 O ATOM 469 CB VAL A 31 -2.646 2.375 8.528 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.021 1.160 9.384 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.851 2.090 7.046 1.00 10.00 C ATOM 0 H VAL A 31 -2.428 3.565 10.780 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.432 4.309 8.076 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.585 2.555 8.704 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.466 0.287 9.040 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.773 1.359 10.427 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.090 0.969 9.295 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.319 1.179 6.774 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.915 1.963 6.844 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.467 2.924 6.459 1.00 10.00 H new ATOM 481 N ALA A 32 -5.771 3.427 8.454 1.00 10.00 N ATOM 482 CA ALA A 32 -7.158 3.064 8.720 1.00 10.00 C ATOM 483 C ALA A 32 -7.551 1.846 7.892 1.00 10.00 C ATOM 484 O ALA A 32 -8.082 0.883 8.438 1.00 10.00 O ATOM 485 CB ALA A 32 -8.081 4.250 8.453 1.00 10.00 C ATOM 0 H ALA A 32 -5.595 3.697 7.486 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.262 2.799 9.772 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.112 3.962 8.657 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.802 5.081 9.101 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.989 4.555 7.411 1.00 10.00 H new ATOM 491 N ASN A 33 -7.299 1.877 6.580 1.00 10.00 N ATOM 492 CA ASN A 33 -7.709 0.797 5.686 1.00 10.00 C ATOM 493 C ASN A 33 -6.641 0.605 4.613 1.00 10.00 C ATOM 494 O ASN A 33 -6.031 1.582 4.185 1.00 10.00 O ATOM 495 CB ASN A 33 -9.064 1.124 5.040 1.00 10.00 C ATOM 496 CG ASN A 33 -10.207 1.250 6.042 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.772 0.243 6.456 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.596 2.466 6.409 1.00 10.00 N ATOM 0 H ASN A 33 -6.811 2.643 6.115 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.819 -0.125 6.257 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.976 2.057 4.484 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.310 0.345 4.318 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.382 2.578 7.050 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.109 3.287 6.050 1.00 10.00 H new ATOM 505 N ALA A 34 -6.422 -0.636 4.164 1.00 10.00 N ATOM 506 CA ALA A 34 -5.466 -0.955 3.102 1.00 10.00 C ATOM 507 C ALA A 34 -6.006 -2.012 2.123 1.00 10.00 C ATOM 508 O ALA A 34 -5.372 -3.048 1.944 1.00 10.00 O ATOM 509 CB ALA A 34 -4.144 -1.392 3.747 1.00 10.00 C ATOM 0 H ALA A 34 -6.909 -1.453 4.532 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.297 -0.063 2.499 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.421 -1.633 2.968 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.755 -0.582 4.364 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.315 -2.271 4.368 1.00 10.00 H new ATOM 515 N PRO A 35 -7.162 -1.788 1.477 1.00 10.00 N ATOM 516 CA PRO A 35 -7.756 -2.739 0.545 1.00 10.00 C ATOM 517 C PRO A 35 -7.006 -2.740 -0.796 1.00 10.00 C ATOM 518 O PRO A 35 -7.458 -2.143 -1.769 1.00 10.00 O ATOM 519 CB PRO A 35 -9.211 -2.279 0.398 1.00 10.00 C ATOM 520 CG PRO A 35 -9.108 -0.764 0.574 1.00 10.00 C ATOM 521 CD PRO A 35 -8.040 -0.644 1.658 1.00 10.00 C ATOM 0 HA PRO A 35 -7.698 -3.768 0.901 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.623 -2.546 -0.575 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.856 -2.731 1.152 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.811 -0.265 -0.349 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.056 -0.324 0.884 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.489 0.291 1.562 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.489 -0.649 2.651 1.00 10.00 H new ATOM 529 N VAL A 36 -5.856 -3.411 -0.857 1.00 10.00 N ATOM 530 CA VAL A 36 -5.035 -3.536 -2.042 1.00 10.00 C ATOM 531 C VAL A 36 -5.736 -4.343 -3.147 1.00 10.00 C ATOM 532 O VAL A 36 -6.448 -5.306 -2.862 1.00 10.00 O ATOM 533 CB VAL A 36 -3.726 -4.165 -1.553 1.00 10.00 C ATOM 534 CG1 VAL A 36 -2.870 -4.646 -2.713 1.00 10.00 C ATOM 535 CG2 VAL A 36 -2.984 -3.139 -0.684 1.00 10.00 C ATOM 0 H VAL A 36 -5.464 -3.896 -0.050 1.00 10.00 H new ATOM 0 HA VAL A 36 -4.843 -2.574 -2.517 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.949 -5.048 -0.954 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -1.950 -5.086 -2.328 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.419 -5.394 -3.284 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -2.626 -3.803 -3.359 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.049 -3.572 -0.328 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -2.769 -2.249 -1.275 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -3.606 -2.867 0.169 1.00 10.00 H new ATOM 545 N ASN A 37 -5.534 -3.963 -4.417 1.00 10.00 N ATOM 546 CA ASN A 37 -6.347 -4.481 -5.516 1.00 10.00 C ATOM 547 C ASN A 37 -5.731 -5.738 -6.132 1.00 10.00 C ATOM 548 O ASN A 37 -4.872 -5.660 -7.012 1.00 10.00 O ATOM 549 CB ASN A 37 -6.569 -3.407 -6.587 1.00 10.00 C ATOM 550 CG ASN A 37 -7.145 -2.112 -6.019 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.012 -2.147 -5.152 1.00 10.00 O ATOM 552 ND2 ASN A 37 -6.666 -0.967 -6.490 1.00 10.00 N ATOM 0 H ASN A 37 -4.814 -3.299 -4.704 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.316 -4.758 -5.100 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.621 -3.192 -7.080 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.244 -3.795 -7.349 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.019 -0.080 -6.131 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -5.945 -0.974 -7.211 1.00 10.00 H new ATOM 559 N PHE A 38 -6.215 -6.910 -5.718 1.00 10.00 N ATOM 560 CA PHE A 38 -5.737 -8.227 -6.134 1.00 10.00 C ATOM 561 C PHE A 38 -6.214 -8.618 -7.541 1.00 10.00 C ATOM 562 O PHE A 38 -6.741 -9.705 -7.743 1.00 10.00 O ATOM 563 CB PHE A 38 -6.125 -9.274 -5.074 1.00 10.00 C ATOM 564 CG PHE A 38 -7.570 -9.238 -4.610 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.941 -8.418 -3.526 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.545 -10.023 -5.254 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.291 -8.317 -3.149 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.892 -9.937 -4.864 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.268 -9.071 -3.822 1.00 10.00 C ATOM 0 H PHE A 38 -6.986 -6.968 -5.053 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.650 -8.186 -6.204 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.917 -10.265 -5.476 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.480 -9.140 -4.205 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.187 -7.866 -2.984 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -8.257 -10.693 -6.050 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.578 -7.660 -2.342 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.638 -10.536 -5.364 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.307 -8.985 -3.539 1.00 10.00 H new ATOM 579 N ALA A 39 -5.966 -7.747 -8.521 1.00 10.00 N ATOM 580 CA ALA A 39 -6.104 -8.010 -9.956 1.00 10.00 C ATOM 581 C ALA A 39 -5.749 -6.764 -10.765 1.00 10.00 C ATOM 582 O ALA A 39 -5.258 -6.864 -11.883 1.00 10.00 O ATOM 583 CB ALA A 39 -7.528 -8.452 -10.320 1.00 10.00 C ATOM 0 H ALA A 39 -5.649 -6.797 -8.328 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.416 -8.820 -10.199 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.589 -8.637 -11.392 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.775 -9.366 -9.780 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.234 -7.667 -10.047 1.00 10.00 H new ATOM 589 N LEU A 40 -6.050 -5.589 -10.210 1.00 10.00 N ATOM 590 CA LEU A 40 -5.942 -4.305 -10.890 1.00 10.00 C ATOM 591 C LEU A 40 -4.549 -3.691 -10.745 1.00 10.00 C ATOM 592 O LEU A 40 -4.318 -2.557 -11.158 1.00 10.00 O ATOM 593 CB LEU A 40 -6.973 -3.348 -10.299 1.00 10.00 C ATOM 594 CG LEU A 40 -8.328 -3.991 -9.970 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.198 -2.869 -9.429 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.954 -4.696 -11.173 1.00 10.00 C ATOM 0 H LEU A 40 -6.384 -5.506 -9.250 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.122 -4.470 -11.952 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.563 -2.910 -9.389 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.135 -2.530 -11.001 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.214 -4.786 -9.233 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.182 -3.262 -9.174 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.734 -2.446 -8.538 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.303 -2.092 -10.186 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.910 -5.132 -10.882 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.113 -3.975 -11.975 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.286 -5.484 -11.521 1.00 10.00 H new ATOM 608 N GLU A 41 -3.657 -4.411 -10.068 1.00 10.00 N ATOM 609 CA GLU A 41 -2.226 -4.136 -9.993 1.00 10.00 C ATOM 610 C GLU A 41 -1.966 -2.765 -9.370 1.00 10.00 C ATOM 611 O GLU A 41 -1.074 -2.029 -9.784 1.00 10.00 O ATOM 612 CB GLU A 41 -1.562 -4.294 -11.371 1.00 10.00 C ATOM 613 CG GLU A 41 -1.718 -5.720 -11.913 1.00 10.00 C ATOM 614 CD GLU A 41 -0.996 -5.888 -13.243 1.00 10.00 C ATOM 615 OE1 GLU A 41 -1.628 -5.591 -14.278 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.180 -6.310 -13.192 1.00 10.00 O ATOM 0 H GLU A 41 -3.925 -5.238 -9.534 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.765 -4.873 -9.336 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.005 -3.587 -12.072 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.503 -4.047 -11.296 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.322 -6.432 -11.189 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.776 -5.950 -12.039 1.00 10.00 H new ATOM 623 N THR A 42 -2.764 -2.438 -8.354 1.00 10.00 N ATOM 624 CA THR A 42 -2.763 -1.157 -7.678 1.00 10.00 C ATOM 625 C THR A 42 -3.001 -1.409 -6.189 1.00 10.00 C ATOM 626 O THR A 42 -3.866 -2.199 -5.813 1.00 10.00 O ATOM 627 CB THR A 42 -3.837 -0.248 -8.299 1.00 10.00 C ATOM 628 OG1 THR A 42 -4.935 -1.019 -8.755 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.278 0.535 -9.492 1.00 10.00 C ATOM 0 H THR A 42 -3.451 -3.087 -7.971 1.00 10.00 H new ATOM 0 HA THR A 42 -1.808 -0.645 -7.794 1.00 10.00 H new ATOM 0 HB THR A 42 -4.158 0.447 -7.523 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.708 -1.437 -9.612 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.060 1.169 -9.910 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.446 1.156 -9.162 1.00 10.00 H new ATOM 0 HG23 THR A 42 -2.930 -0.162 -10.254 1.00 10.00 H new ATOM 637 N VAL A 43 -2.217 -0.770 -5.329 1.00 10.00 N ATOM 638 CA VAL A 43 -2.485 -0.708 -3.898 1.00 10.00 C ATOM 639 C VAL A 43 -3.327 0.545 -3.652 1.00 10.00 C ATOM 640 O VAL A 43 -3.095 1.575 -4.287 1.00 10.00 O ATOM 641 CB VAL A 43 -1.141 -0.703 -3.154 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.144 -0.225 -1.694 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.490 -2.091 -3.200 1.00 10.00 C ATOM 0 H VAL A 43 -1.370 -0.276 -5.608 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.045 -1.567 -3.527 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.572 0.048 -3.702 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.132 -0.273 -1.293 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.503 0.803 -1.648 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.799 -0.865 -1.103 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.461 -2.065 -2.667 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.151 -2.818 -2.728 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.317 -2.377 -4.237 1.00 10.00 H new ATOM 653 N THR A 44 -4.282 0.448 -2.723 1.00 10.00 N ATOM 654 CA THR A 44 -5.219 1.492 -2.366 1.00 10.00 C ATOM 655 C THR A 44 -5.272 1.569 -0.838 1.00 10.00 C ATOM 656 O THR A 44 -5.683 0.598 -0.205 1.00 10.00 O ATOM 657 CB THR A 44 -6.580 1.109 -2.977 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.498 0.987 -4.388 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.670 2.100 -2.586 1.00 10.00 C ATOM 0 H THR A 44 -4.421 -0.404 -2.180 1.00 10.00 H new ATOM 0 HA THR A 44 -4.930 2.473 -2.744 1.00 10.00 H new ATOM 0 HB THR A 44 -6.851 0.136 -2.568 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.864 1.793 -4.808 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.616 1.797 -3.036 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.773 2.118 -1.501 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.402 3.095 -2.941 1.00 10.00 H new ATOM 667 N VAL A 45 -4.833 2.685 -0.237 1.00 10.00 N ATOM 668 CA VAL A 45 -4.780 2.860 1.212 1.00 10.00 C ATOM 669 C VAL A 45 -5.605 4.070 1.637 1.00 10.00 C ATOM 670 O VAL A 45 -5.843 4.988 0.853 1.00 10.00 O ATOM 671 CB VAL A 45 -3.317 2.999 1.662 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.132 3.131 3.182 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.538 1.763 1.206 1.00 10.00 C ATOM 0 H VAL A 45 -4.502 3.499 -0.755 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.210 1.983 1.695 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.951 3.921 1.210 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.071 3.224 3.413 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.660 4.016 3.537 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.534 2.246 3.676 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.498 1.852 1.521 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.977 0.871 1.652 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.583 1.685 0.120 1.00 10.00 H new ATOM 683 N GLU A 46 -6.030 4.031 2.901 1.00 10.00 N ATOM 684 CA GLU A 46 -6.665 5.088 3.654 1.00 10.00 C ATOM 685 C GLU A 46 -5.801 5.277 4.915 1.00 10.00 C ATOM 686 O GLU A 46 -5.778 4.380 5.767 1.00 10.00 O ATOM 687 CB GLU A 46 -8.093 4.614 3.977 1.00 10.00 C ATOM 688 CG GLU A 46 -9.167 5.706 3.859 1.00 10.00 C ATOM 689 CD GLU A 46 -9.813 6.005 5.198 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.092 5.021 5.916 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.004 7.204 5.478 1.00 10.00 O ATOM 0 H GLU A 46 -5.925 3.185 3.461 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.740 6.039 3.127 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.351 3.794 3.307 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.109 4.214 4.991 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.718 6.616 3.460 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.931 5.390 3.149 1.00 10.00 H new ATOM 698 N TYR A 47 -5.036 6.376 5.009 1.00 10.00 N ATOM 699 CA TYR A 47 -4.124 6.630 6.126 1.00 10.00 C ATOM 700 C TYR A 47 -4.217 8.082 6.594 1.00 10.00 C ATOM 701 O TYR A 47 -4.765 8.917 5.883 1.00 10.00 O ATOM 702 CB TYR A 47 -2.685 6.253 5.734 1.00 10.00 C ATOM 703 CG TYR A 47 -2.009 7.147 4.701 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.515 8.408 5.079 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.778 6.694 3.389 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.898 9.252 4.145 1.00 10.00 C ATOM 707 CE2 TYR A 47 -1.115 7.521 2.466 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.723 8.819 2.827 1.00 10.00 C ATOM 709 OH TYR A 47 -0.116 9.633 1.920 1.00 10.00 O ATOM 0 H TYR A 47 -5.036 7.115 4.306 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.421 6.002 6.966 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.074 6.251 6.637 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.691 5.232 5.351 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.612 8.731 6.105 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.110 5.710 3.091 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -0.559 10.233 4.442 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -0.906 7.155 1.472 1.00 10.00 H new ATOM 0 HH TYR A 47 -0.073 9.180 1.052 1.00 10.00 H new ATOM 719 N ASN A 48 -3.670 8.401 7.773 1.00 10.00 N ATOM 720 CA ASN A 48 -3.565 9.769 8.275 1.00 10.00 C ATOM 721 C ASN A 48 -2.152 10.311 8.040 1.00 10.00 C ATOM 722 O ASN A 48 -1.182 9.654 8.425 1.00 10.00 O ATOM 723 CB ASN A 48 -4.000 9.895 9.746 1.00 10.00 C ATOM 724 CG ASN A 48 -3.063 9.298 10.802 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.927 9.728 10.986 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.565 8.348 11.584 1.00 10.00 N ATOM 0 H ASN A 48 -3.284 7.705 8.411 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.264 10.385 7.710 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -4.133 10.953 9.971 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.976 9.421 9.852 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.006 7.967 12.347 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.510 7.999 11.421 1.00 10.00 H new ATOM 733 N PRO A 49 -1.999 11.481 7.398 1.00 10.00 N ATOM 734 CA PRO A 49 -0.701 12.109 7.215 1.00 10.00 C ATOM 735 C PRO A 49 -0.268 12.732 8.547 1.00 10.00 C ATOM 736 O PRO A 49 -0.173 13.952 8.672 1.00 10.00 O ATOM 737 CB PRO A 49 -0.915 13.143 6.103 1.00 10.00 C ATOM 738 CG PRO A 49 -2.368 13.571 6.303 1.00 10.00 C ATOM 739 CD PRO A 49 -3.043 12.280 6.769 1.00 10.00 C ATOM 0 HA PRO A 49 0.095 11.421 6.929 1.00 10.00 H new ATOM 0 HB2 PRO A 49 -0.230 13.985 6.198 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.754 12.712 5.115 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.457 14.364 7.045 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.809 13.947 5.380 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.848 12.493 7.473 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.488 11.748 5.928 1.00 10.00 H new ATOM 747 N LYS A 50 -0.036 11.891 9.559 1.00 10.00 N ATOM 748 CA LYS A 50 0.374 12.325 10.886 1.00 10.00 C ATOM 749 C LYS A 50 1.323 11.268 11.441 1.00 10.00 C ATOM 750 O LYS A 50 2.415 11.605 11.894 1.00 10.00 O ATOM 751 CB LYS A 50 -0.865 12.657 11.754 1.00 10.00 C ATOM 752 CG LYS A 50 -0.951 12.051 13.167 1.00 10.00 C ATOM 753 CD LYS A 50 0.206 12.486 14.091 1.00 10.00 C ATOM 754 CE LYS A 50 0.996 11.289 14.655 1.00 10.00 C ATOM 755 NZ LYS A 50 0.693 10.991 16.067 1.00 10.00 N ATOM 0 H LYS A 50 -0.130 10.879 9.473 1.00 10.00 H new ATOM 0 HA LYS A 50 0.929 13.263 10.871 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.920 13.741 11.853 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.751 12.342 11.203 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.898 12.341 13.622 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.955 10.964 13.089 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.884 13.135 13.537 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.195 13.074 14.917 1.00 10.00 H new ATOM 0 HE2 LYS A 50 0.781 10.407 14.052 1.00 10.00 H new ATOM 0 HE3 LYS A 50 2.063 11.490 14.556 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 0.449 9.985 16.165 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 1.525 11.204 16.653 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.109 11.574 16.380 1.00 10.00 H new ATOM 769 N GLU A 51 0.915 9.998 11.385 1.00 10.00 N ATOM 770 CA GLU A 51 1.761 8.865 11.740 1.00 10.00 C ATOM 771 C GLU A 51 2.210 8.108 10.483 1.00 10.00 C ATOM 772 O GLU A 51 3.362 7.690 10.396 1.00 10.00 O ATOM 773 CB GLU A 51 1.011 7.973 12.743 1.00 10.00 C ATOM 774 CG GLU A 51 1.687 7.878 14.121 1.00 10.00 C ATOM 775 CD GLU A 51 0.658 7.733 15.234 1.00 10.00 C ATOM 776 OE1 GLU A 51 -0.347 7.030 15.007 1.00 10.00 O ATOM 777 OE2 GLU A 51 0.839 8.444 16.250 1.00 10.00 O ATOM 0 H GLU A 51 -0.023 9.729 11.088 1.00 10.00 H new ATOM 0 HA GLU A 51 2.674 9.214 12.223 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.000 8.359 12.871 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.919 6.971 12.325 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.366 7.025 14.137 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.290 8.769 14.295 1.00 10.00 H new ATOM 784 N ALA A 52 1.324 7.927 9.498 1.00 10.00 N ATOM 785 CA ALA A 52 1.673 7.263 8.255 1.00 10.00 C ATOM 786 C ALA A 52 2.327 8.254 7.301 1.00 10.00 C ATOM 787 O ALA A 52 2.028 9.448 7.319 1.00 10.00 O ATOM 788 CB ALA A 52 0.411 6.681 7.624 1.00 10.00 C ATOM 0 H ALA A 52 0.354 8.237 9.547 1.00 10.00 H new ATOM 0 HA ALA A 52 2.379 6.458 8.458 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.668 6.181 6.690 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -0.039 5.962 8.308 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.298 7.484 7.422 1.00 10.00 H new ATOM 794 N SER A 53 3.208 7.737 6.445 1.00 10.00 N ATOM 795 CA SER A 53 3.790 8.486 5.348 1.00 10.00 C ATOM 796 C SER A 53 4.061 7.573 4.153 1.00 10.00 C ATOM 797 O SER A 53 4.351 6.384 4.295 1.00 10.00 O ATOM 798 CB SER A 53 5.055 9.214 5.808 1.00 10.00 C ATOM 799 OG SER A 53 5.965 8.312 6.402 1.00 10.00 O ATOM 0 H SER A 53 3.537 6.773 6.501 1.00 10.00 H new ATOM 0 HA SER A 53 3.076 9.242 5.022 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.527 9.706 4.957 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.792 9.995 6.522 1.00 10.00 H new ATOM 0 HG SER A 53 6.767 8.797 6.687 1.00 10.00 H new ATOM 805 N VAL A 54 3.971 8.170 2.964 1.00 10.00 N ATOM 806 CA VAL A 54 4.192 7.529 1.677 1.00 10.00 C ATOM 807 C VAL A 54 5.494 6.723 1.666 1.00 10.00 C ATOM 808 O VAL A 54 5.502 5.552 1.286 1.00 10.00 O ATOM 809 CB VAL A 54 4.183 8.600 0.574 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.350 7.940 -0.802 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.877 9.409 0.622 1.00 10.00 C ATOM 0 H VAL A 54 3.731 9.157 2.873 1.00 10.00 H new ATOM 0 HA VAL A 54 3.387 6.818 1.491 1.00 10.00 H new ATOM 0 HB VAL A 54 5.017 9.281 0.742 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.342 8.707 -1.577 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.297 7.401 -0.834 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.530 7.243 -0.973 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.887 10.163 -0.165 1.00 10.00 H new ATOM 0 HG22 VAL A 54 2.029 8.740 0.474 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.788 9.898 1.592 1.00 10.00 H new ATOM 821 N SER A 55 6.601 7.350 2.075 1.00 10.00 N ATOM 822 CA SER A 55 7.895 6.689 2.146 1.00 10.00 C ATOM 823 C SER A 55 7.820 5.382 2.931 1.00 10.00 C ATOM 824 O SER A 55 8.433 4.393 2.508 1.00 10.00 O ATOM 825 CB SER A 55 8.950 7.613 2.763 1.00 10.00 C ATOM 826 OG SER A 55 9.403 8.516 1.776 1.00 10.00 O ATOM 0 H SER A 55 6.619 8.328 2.364 1.00 10.00 H new ATOM 0 HA SER A 55 8.189 6.452 1.124 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.526 8.158 3.606 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.784 7.027 3.149 1.00 10.00 H new ATOM 0 HG SER A 55 10.077 9.112 2.163 1.00 10.00 H new ATOM 832 N ASP A 56 7.107 5.388 4.064 1.00 10.00 N ATOM 833 CA ASP A 56 7.089 4.251 4.962 1.00 10.00 C ATOM 834 C ASP A 56 6.375 3.089 4.282 1.00 10.00 C ATOM 835 O ASP A 56 6.961 2.023 4.102 1.00 10.00 O ATOM 836 CB ASP A 56 6.438 4.630 6.291 1.00 10.00 C ATOM 837 CG ASP A 56 6.700 3.528 7.301 1.00 10.00 C ATOM 838 OD1 ASP A 56 5.971 2.519 7.233 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.641 3.707 8.098 1.00 10.00 O ATOM 0 H ASP A 56 6.537 6.175 4.372 1.00 10.00 H new ATOM 0 HA ASP A 56 8.108 3.939 5.188 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.842 5.576 6.652 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.365 4.772 6.158 1.00 10.00 H new ATOM 844 N LEU A 57 5.142 3.313 3.809 1.00 10.00 N ATOM 845 CA LEU A 57 4.385 2.245 3.172 1.00 10.00 C ATOM 846 C LEU A 57 5.116 1.751 1.926 1.00 10.00 C ATOM 847 O LEU A 57 5.302 0.552 1.738 1.00 10.00 O ATOM 848 CB LEU A 57 2.918 2.642 2.954 1.00 10.00 C ATOM 849 CG LEU A 57 2.635 3.800 1.994 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.427 3.255 0.586 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.398 4.603 2.420 1.00 10.00 C ATOM 0 H LEU A 57 4.660 4.211 3.857 1.00 10.00 H new ATOM 0 HA LEU A 57 4.329 1.386 3.841 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.383 1.765 2.590 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.491 2.897 3.924 1.00 10.00 H new ATOM 0 HG LEU A 57 3.494 4.470 2.016 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.225 4.080 -0.097 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.325 2.728 0.264 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.582 2.567 0.583 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.231 5.416 1.713 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.526 3.949 2.433 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.557 5.015 3.416 1.00 10.00 H new ATOM 863 N LYS A 58 5.604 2.677 1.102 1.00 10.00 N ATOM 864 CA LYS A 58 6.524 2.363 0.026 1.00 10.00 C ATOM 865 C LYS A 58 7.623 1.406 0.488 1.00 10.00 C ATOM 866 O LYS A 58 7.847 0.390 -0.164 1.00 10.00 O ATOM 867 CB LYS A 58 7.084 3.663 -0.561 1.00 10.00 C ATOM 868 CG LYS A 58 8.006 3.422 -1.759 1.00 10.00 C ATOM 869 CD LYS A 58 9.427 3.981 -1.572 1.00 10.00 C ATOM 870 CE LYS A 58 10.340 3.152 -0.650 1.00 10.00 C ATOM 871 NZ LYS A 58 10.373 3.634 0.750 1.00 10.00 N ATOM 0 H LYS A 58 5.368 3.667 1.168 1.00 10.00 H new ATOM 0 HA LYS A 58 5.986 1.839 -0.764 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.257 4.304 -0.867 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.633 4.199 0.213 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.069 2.350 -1.947 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.561 3.875 -2.645 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.901 4.060 -2.550 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.353 4.992 -1.171 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.005 2.115 -0.659 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.353 3.163 -1.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.966 2.999 1.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.769 4.595 0.777 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.407 3.646 1.136 1.00 10.00 H new ATOM 885 N GLU A 59 8.321 1.717 1.586 1.00 10.00 N ATOM 886 CA GLU A 59 9.404 0.868 2.062 1.00 10.00 C ATOM 887 C GLU A 59 8.862 -0.496 2.482 1.00 10.00 C ATOM 888 O GLU A 59 9.462 -1.528 2.204 1.00 10.00 O ATOM 889 CB GLU A 59 10.158 1.533 3.225 1.00 10.00 C ATOM 890 CG GLU A 59 11.666 1.225 3.140 1.00 10.00 C ATOM 891 CD GLU A 59 12.212 0.570 4.409 1.00 10.00 C ATOM 892 OE1 GLU A 59 12.587 1.344 5.313 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.269 -0.680 4.444 1.00 10.00 O ATOM 0 H GLU A 59 8.152 2.547 2.155 1.00 10.00 H new ATOM 0 HA GLU A 59 10.110 0.726 1.244 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.999 2.611 3.199 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.761 1.175 4.175 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.850 0.568 2.290 1.00 10.00 H new ATOM 0 HG3 GLU A 59 12.211 2.150 2.952 1.00 10.00 H new ATOM 900 N ALA A 60 7.702 -0.488 3.136 1.00 10.00 N ATOM 901 CA ALA A 60 7.022 -1.694 3.571 1.00 10.00 C ATOM 902 C ALA A 60 6.860 -2.651 2.387 1.00 10.00 C ATOM 903 O ALA A 60 7.203 -3.832 2.480 1.00 10.00 O ATOM 904 CB ALA A 60 5.679 -1.318 4.209 1.00 10.00 C ATOM 0 H ALA A 60 7.206 0.370 3.379 1.00 10.00 H new ATOM 0 HA ALA A 60 7.612 -2.213 4.327 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.166 -2.222 4.537 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.853 -0.668 5.067 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.062 -0.796 3.478 1.00 10.00 H new ATOM 910 N VAL A 61 6.358 -2.130 1.264 1.00 10.00 N ATOM 911 CA VAL A 61 6.194 -2.913 0.047 1.00 10.00 C ATOM 912 C VAL A 61 7.554 -3.268 -0.572 1.00 10.00 C ATOM 913 O VAL A 61 7.766 -4.416 -0.951 1.00 10.00 O ATOM 914 CB VAL A 61 5.249 -2.207 -0.936 1.00 10.00 C ATOM 915 CG1 VAL A 61 4.904 -3.146 -2.100 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.944 -1.817 -0.230 1.00 10.00 C ATOM 0 H VAL A 61 6.057 -1.159 1.178 1.00 10.00 H new ATOM 0 HA VAL A 61 5.721 -3.861 0.304 1.00 10.00 H new ATOM 0 HB VAL A 61 5.751 -1.315 -1.309 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.233 -2.637 -2.792 1.00 10.00 H new ATOM 0 HG12 VAL A 61 5.818 -3.429 -2.622 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.415 -4.040 -1.713 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.283 -1.317 -0.938 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.455 -2.713 0.153 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.165 -1.143 0.598 1.00 10.00 H new ATOM 926 N ASP A 62 8.485 -2.312 -0.636 1.00 10.00 N ATOM 927 CA ASP A 62 9.831 -2.520 -1.169 1.00 10.00 C ATOM 928 C ASP A 62 10.459 -3.756 -0.511 1.00 10.00 C ATOM 929 O ASP A 62 10.791 -4.744 -1.169 1.00 10.00 O ATOM 930 CB ASP A 62 10.653 -1.242 -0.927 1.00 10.00 C ATOM 931 CG ASP A 62 11.904 -1.163 -1.783 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.667 -2.150 -1.776 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.076 -0.096 -2.413 1.00 10.00 O ATOM 0 H ASP A 62 8.321 -1.358 -0.314 1.00 10.00 H new ATOM 0 HA ASP A 62 9.805 -2.709 -2.242 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.028 -0.372 -1.128 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.937 -1.194 0.124 1.00 10.00 H new ATOM 938 N LYS A 63 10.494 -3.734 0.824 1.00 10.00 N ATOM 939 CA LYS A 63 10.946 -4.811 1.687 1.00 10.00 C ATOM 940 C LYS A 63 10.210 -6.116 1.369 1.00 10.00 C ATOM 941 O LYS A 63 10.821 -7.181 1.349 1.00 10.00 O ATOM 942 CB LYS A 63 10.726 -4.381 3.143 1.00 10.00 C ATOM 943 CG LYS A 63 11.272 -5.404 4.154 1.00 10.00 C ATOM 944 CD LYS A 63 12.301 -4.795 5.115 1.00 10.00 C ATOM 945 CE LYS A 63 13.581 -4.371 4.374 1.00 10.00 C ATOM 946 NZ LYS A 63 14.651 -3.972 5.307 1.00 10.00 N ATOM 0 H LYS A 63 10.190 -2.917 1.353 1.00 10.00 H new ATOM 0 HA LYS A 63 12.006 -5.004 1.520 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.209 -3.418 3.310 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.660 -4.237 3.318 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.444 -5.818 4.729 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.731 -6.233 3.615 1.00 10.00 H new ATOM 0 HD2 LYS A 63 11.866 -3.930 5.616 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.551 -5.520 5.890 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.930 -5.195 3.752 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.355 -3.541 3.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.496 -3.694 4.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.328 -3.169 5.883 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 14.885 -4.772 5.929 1.00 10.00 H new ATOM 960 N LEU A 64 8.894 -6.043 1.147 1.00 10.00 N ATOM 961 CA LEU A 64 8.084 -7.174 0.718 1.00 10.00 C ATOM 962 C LEU A 64 8.624 -7.876 -0.530 1.00 10.00 C ATOM 963 O LEU A 64 8.360 -9.067 -0.699 1.00 10.00 O ATOM 964 CB LEU A 64 6.650 -6.687 0.480 1.00 10.00 C ATOM 965 CG LEU A 64 5.550 -7.683 0.829 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.725 -8.190 2.262 1.00 10.00 C ATOM 967 CD2 LEU A 64 4.236 -6.911 0.688 1.00 10.00 C ATOM 0 H LEU A 64 8.359 -5.182 1.263 1.00 10.00 H new ATOM 0 HA LEU A 64 8.115 -7.920 1.512 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.492 -5.780 1.063 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.548 -6.413 -0.570 1.00 10.00 H new ATOM 0 HG LEU A 64 5.574 -8.557 0.178 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.932 -8.900 2.496 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.693 -8.682 2.358 1.00 10.00 H new ATOM 0 HD13 LEU A 64 5.675 -7.349 2.954 1.00 10.00 H new ATOM 0 HD21 LEU A 64 3.400 -7.569 0.925 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.236 -6.064 1.374 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.134 -6.550 -0.335 1.00 10.00 H new ATOM 979 N GLY A 65 9.355 -7.166 -1.398 1.00 10.00 N ATOM 980 CA GLY A 65 10.102 -7.774 -2.491 1.00 10.00 C ATOM 981 C GLY A 65 10.029 -6.958 -3.779 1.00 10.00 C ATOM 982 O GLY A 65 10.943 -7.022 -4.597 1.00 10.00 O ATOM 0 H GLY A 65 9.441 -6.151 -1.357 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.145 -7.886 -2.195 1.00 10.00 H new ATOM 0 HA3 GLY A 65 9.715 -8.776 -2.678 1.00 10.00 H new ATOM 986 N TYR A 66 8.924 -6.241 -3.991 1.00 10.00 N ATOM 987 CA TYR A 66 8.625 -5.524 -5.222 1.00 10.00 C ATOM 988 C TYR A 66 8.280 -4.079 -4.884 1.00 10.00 C ATOM 989 O TYR A 66 7.925 -3.768 -3.753 1.00 10.00 O ATOM 990 CB TYR A 66 7.472 -6.221 -5.949 1.00 10.00 C ATOM 991 CG TYR A 66 6.442 -6.836 -5.020 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.411 -6.051 -4.477 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.589 -8.176 -4.616 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.553 -6.597 -3.510 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.749 -8.712 -3.631 1.00 10.00 C ATOM 996 CZ TYR A 66 4.744 -7.914 -3.062 1.00 10.00 C ATOM 997 OH TYR A 66 3.962 -8.426 -2.071 1.00 10.00 O ATOM 0 H TYR A 66 8.193 -6.143 -3.286 1.00 10.00 H new ATOM 0 HA TYR A 66 9.491 -5.525 -5.885 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.976 -5.500 -6.599 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.879 -7.002 -6.592 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.279 -5.030 -4.803 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.352 -8.793 -5.067 1.00 10.00 H new ATOM 0 HE1 TYR A 66 3.744 -6.003 -3.110 1.00 10.00 H new ATOM 0 HE2 TYR A 66 5.874 -9.736 -3.311 1.00 10.00 H new ATOM 0 HH TYR A 66 4.231 -9.350 -1.887 1.00 10.00 H new ATOM 1007 N LYS A 67 8.420 -3.183 -5.859 1.00 10.00 N ATOM 1008 CA LYS A 67 8.411 -1.761 -5.628 1.00 10.00 C ATOM 1009 C LYS A 67 7.005 -1.177 -5.771 1.00 10.00 C ATOM 1010 O LYS A 67 6.152 -1.726 -6.473 1.00 10.00 O ATOM 1011 CB LYS A 67 9.414 -1.157 -6.605 1.00 10.00 C ATOM 1012 CG LYS A 67 8.919 -1.198 -8.053 1.00 10.00 C ATOM 1013 CD LYS A 67 10.086 -1.322 -9.043 1.00 10.00 C ATOM 1014 CE LYS A 67 10.516 -2.788 -9.233 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.412 -2.941 -10.393 1.00 10.00 N ATOM 0 H LYS A 67 8.544 -3.439 -6.839 1.00 10.00 H new ATOM 0 HA LYS A 67 8.703 -1.522 -4.605 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.615 -0.124 -6.322 1.00 10.00 H new ATOM 0 HB3 LYS A 67 10.358 -1.697 -6.532 1.00 10.00 H new ATOM 0 HG2 LYS A 67 8.239 -2.040 -8.183 1.00 10.00 H new ATOM 0 HG3 LYS A 67 8.351 -0.294 -8.270 1.00 10.00 H new ATOM 0 HD2 LYS A 67 9.794 -0.901 -10.005 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.933 -0.738 -8.683 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.020 -3.140 -8.333 1.00 10.00 H new ATOM 0 HE3 LYS A 67 9.633 -3.413 -9.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 11.507 -3.950 -10.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 11.015 -2.432 -11.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 12.348 -2.550 -10.163 1.00 10.00 H new ATOM 1029 N LEU A 68 6.796 -0.040 -5.107 1.00 10.00 N ATOM 1030 CA LEU A 68 5.541 0.679 -5.006 1.00 10.00 C ATOM 1031 C LEU A 68 5.841 2.150 -5.250 1.00 10.00 C ATOM 1032 O LEU A 68 6.884 2.626 -4.799 1.00 10.00 O ATOM 1033 CB LEU A 68 5.047 0.540 -3.566 1.00 10.00 C ATOM 1034 CG LEU A 68 3.663 1.158 -3.342 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.567 0.188 -3.758 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.462 1.589 -1.900 1.00 10.00 C ATOM 0 H LEU A 68 7.547 0.425 -4.598 1.00 10.00 H new ATOM 0 HA LEU A 68 4.805 0.300 -5.715 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.014 -0.517 -3.300 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.763 1.015 -2.895 1.00 10.00 H new ATOM 0 HG LEU A 68 3.603 2.050 -3.966 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.592 0.647 -3.591 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.677 -0.054 -4.815 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.645 -0.724 -3.167 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.468 2.022 -1.785 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.559 0.723 -1.245 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.214 2.332 -1.634 1.00 10.00 H new ATOM 1048 N LYS A 69 4.919 2.884 -5.874 1.00 10.00 N ATOM 1049 CA LYS A 69 4.985 4.334 -5.937 1.00 10.00 C ATOM 1050 C LYS A 69 3.589 4.933 -5.940 1.00 10.00 C ATOM 1051 O LYS A 69 2.716 4.411 -6.621 1.00 10.00 O ATOM 1052 CB LYS A 69 5.772 4.759 -7.182 1.00 10.00 C ATOM 1053 CG LYS A 69 6.788 5.849 -6.844 1.00 10.00 C ATOM 1054 CD LYS A 69 7.824 5.314 -5.843 1.00 10.00 C ATOM 1055 CE LYS A 69 9.155 6.076 -5.918 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.993 7.517 -5.643 1.00 10.00 N ATOM 0 H LYS A 69 4.109 2.485 -6.348 1.00 10.00 H new ATOM 0 HA LYS A 69 5.502 4.708 -5.053 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.287 3.895 -7.603 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.084 5.123 -7.945 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.288 6.185 -7.752 1.00 10.00 H new ATOM 0 HG3 LYS A 69 6.277 6.715 -6.423 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.422 5.388 -4.833 1.00 10.00 H new ATOM 0 HD3 LYS A 69 8.002 4.256 -6.038 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.856 5.649 -5.202 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.591 5.944 -6.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.924 7.980 -5.655 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.385 7.943 -6.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.555 7.645 -4.708 1.00 10.00 H new ATOM 1070 N LEU A 70 3.368 6.009 -5.179 1.00 10.00 N ATOM 1071 CA LEU A 70 2.080 6.680 -5.141 1.00 10.00 C ATOM 1072 C LEU A 70 1.789 7.277 -6.514 1.00 10.00 C ATOM 1073 O LEU A 70 2.703 7.598 -7.273 1.00 10.00 O ATOM 1074 CB LEU A 70 2.100 7.771 -4.067 1.00 10.00 C ATOM 1075 CG LEU A 70 0.749 8.093 -3.406 1.00 10.00 C ATOM 1076 CD1 LEU A 70 1.018 8.794 -2.079 1.00 10.00 C ATOM 1077 CD2 LEU A 70 -0.120 9.023 -4.252 1.00 10.00 C ATOM 0 H LEU A 70 4.076 6.431 -4.579 1.00 10.00 H new ATOM 0 HA LEU A 70 1.294 5.968 -4.892 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.801 7.473 -3.288 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.490 8.685 -4.514 1.00 10.00 H new ATOM 0 HG LEU A 70 0.216 7.151 -3.282 1.00 10.00 H new ATOM 0 HD11 LEU A 70 0.071 9.031 -1.594 1.00 10.00 H new ATOM 0 HD12 LEU A 70 1.602 8.139 -1.433 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.573 9.714 -2.260 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -1.060 9.214 -3.734 1.00 10.00 H new ATOM 0 HD22 LEU A 70 0.404 9.965 -4.412 1.00 10.00 H new ATOM 0 HD23 LEU A 70 -0.325 8.554 -5.214 1.00 10.00 H new ATOM 1089 N LYS A 71 0.503 7.431 -6.795 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.043 7.938 -8.028 1.00 10.00 C ATOM 1091 C LYS A 71 -0.836 9.205 -7.718 1.00 10.00 C ATOM 1092 O LYS A 71 -0.495 10.287 -8.187 1.00 10.00 O ATOM 1093 CB LYS A 71 -0.909 6.838 -8.650 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.662 7.427 -9.839 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.059 6.371 -10.883 1.00 10.00 C ATOM 1096 CE LYS A 71 -1.973 6.950 -12.304 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.866 8.111 -12.498 1.00 10.00 N ATOM 0 H LYS A 71 -0.224 7.188 -6.122 1.00 10.00 H new ATOM 0 HA LYS A 71 0.733 8.202 -8.746 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.287 6.003 -8.972 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.611 6.447 -7.913 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.560 7.930 -9.480 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.041 8.185 -10.316 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.403 5.505 -10.798 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.073 6.023 -10.688 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -0.945 7.248 -12.509 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.230 6.174 -13.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.860 8.390 -13.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.834 7.856 -12.215 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.533 8.906 -11.916 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.904 9.056 -6.937 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.674 10.178 -6.433 1.00 10.00 C ATOM 1113 C GLY A 72 -3.536 9.713 -5.269 1.00 10.00 C ATOM 1114 O GLY A 72 -3.177 9.911 -4.112 1.00 10.00 O ATOM 0 H GLY A 72 -2.257 8.147 -6.638 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.006 10.976 -6.110 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.302 10.588 -7.224 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.652 9.057 -5.581 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.719 8.773 -4.634 1.00 10.00 C ATOM 1120 C GLU A 73 -6.812 7.995 -5.358 1.00 10.00 C ATOM 1121 O GLU A 73 -6.814 7.929 -6.586 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.277 10.064 -4.004 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.763 11.087 -5.044 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.385 12.313 -4.385 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.224 12.111 -3.480 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.015 13.430 -4.806 1.00 10.00 O ATOM 0 H GLU A 73 -4.840 8.703 -6.519 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.324 8.175 -3.813 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.104 9.809 -3.342 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.504 10.523 -3.387 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.925 11.396 -5.669 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.495 10.617 -5.701 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.716 7.410 -4.574 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.853 6.640 -5.033 1.00 10.00 C ATOM 1135 C GLN A 74 -9.761 7.492 -5.922 1.00 10.00 C ATOM 1136 O GLN A 74 -10.190 8.565 -5.501 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.595 6.120 -3.784 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.869 4.620 -3.819 1.00 10.00 C ATOM 1139 CD GLN A 74 -11.245 4.272 -4.373 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -12.135 3.900 -3.615 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -11.434 4.361 -5.685 1.00 10.00 N ATOM 0 H GLN A 74 -7.667 7.467 -3.557 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.529 5.798 -5.644 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.005 6.353 -2.898 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.541 6.652 -3.686 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.106 4.132 -4.426 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.779 4.217 -2.810 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -10.674 4.674 -6.290 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -12.339 4.117 -6.088 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.083 6.982 -7.118 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.009 7.568 -8.082 1.00 10.00 C ATOM 1152 C ASP A 75 -12.222 8.157 -7.369 1.00 10.00 C ATOM 1153 O ASP A 75 -12.586 9.313 -7.573 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.481 6.489 -9.076 1.00 10.00 C ATOM 1155 CG ASP A 75 -10.455 6.084 -10.129 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -9.406 6.755 -10.219 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -10.756 5.103 -10.841 1.00 10.00 O ATOM 0 H ASP A 75 -9.682 6.105 -7.451 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.490 8.363 -8.618 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -11.771 5.601 -8.514 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.375 6.851 -9.583 1.00 10.00 H new ATOM 1162 N SER A 76 -12.835 7.330 -6.524 1.00 10.00 N ATOM 1163 CA SER A 76 -13.930 7.733 -5.667 1.00 10.00 C ATOM 1164 C SER A 76 -13.390 8.110 -4.290 1.00 10.00 C ATOM 1165 O SER A 76 -12.880 7.245 -3.581 1.00 10.00 O ATOM 1166 CB SER A 76 -14.959 6.605 -5.554 1.00 10.00 C ATOM 1167 OG SER A 76 -15.435 6.257 -6.841 1.00 10.00 O ATOM 0 H SER A 76 -12.576 6.349 -6.420 1.00 10.00 H new ATOM 0 HA SER A 76 -14.425 8.602 -6.101 1.00 10.00 H new ATOM 0 HB2 SER A 76 -14.508 5.736 -5.076 1.00 10.00 H new ATOM 0 HB3 SER A 76 -15.790 6.920 -4.922 1.00 10.00 H new ATOM 0 HG SER A 76 -16.092 5.534 -6.762 1.00 10.00 H new ATOM 1173 N ILE A 77 -13.537 9.382 -3.908 1.00 10.00 N ATOM 1174 CA ILE A 77 -13.230 9.862 -2.565 1.00 10.00 C ATOM 1175 C ILE A 77 -14.398 9.446 -1.652 1.00 10.00 C ATOM 1176 O ILE A 77 -14.764 8.273 -1.614 1.00 10.00 O ATOM 1177 CB ILE A 77 -12.927 11.382 -2.601 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -11.948 11.742 -3.741 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -12.311 11.861 -1.272 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -11.722 13.251 -3.874 1.00 10.00 C ATOM 0 H ILE A 77 -13.877 10.113 -4.533 1.00 10.00 H new ATOM 0 HA ILE A 77 -12.324 9.416 -2.154 1.00 10.00 H new ATOM 0 HB ILE A 77 -13.882 11.880 -2.769 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -10.992 11.250 -3.562 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -12.335 11.353 -4.683 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -12.110 12.931 -1.329 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -13.008 11.665 -0.457 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -11.379 11.326 -1.089 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -11.026 13.444 -4.690 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -12.671 13.744 -4.082 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -11.308 13.640 -2.944 1.00 10.00 H new ATOM 1192 N GLU A 78 -15.021 10.389 -0.944 1.00 10.00 N ATOM 1193 CA GLU A 78 -16.173 10.163 -0.090 1.00 10.00 C ATOM 1194 C GLU A 78 -17.048 11.406 -0.235 1.00 10.00 C ATOM 1195 O GLU A 78 -16.533 12.520 -0.144 1.00 10.00 O ATOM 1196 CB GLU A 78 -15.700 9.937 1.353 1.00 10.00 C ATOM 1197 CG GLU A 78 -16.812 9.381 2.249 1.00 10.00 C ATOM 1198 CD GLU A 78 -16.286 9.103 3.651 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -16.009 10.097 4.355 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -16.156 7.905 3.981 1.00 10.00 O ATOM 0 H GLU A 78 -14.721 11.364 -0.954 1.00 10.00 H new ATOM 0 HA GLU A 78 -16.743 9.276 -0.367 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -14.857 9.246 1.353 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -15.340 10.879 1.767 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -17.636 10.093 2.299 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -17.210 8.463 1.816 1.00 10.00 H new ATOM 1207 N GLY A 79 -18.331 11.219 -0.553 1.00 10.00 N ATOM 1208 CA GLY A 79 -19.247 12.302 -0.880 1.00 10.00 C ATOM 1209 C GLY A 79 -20.308 12.460 0.201 1.00 10.00 C ATOM 1210 O GLY A 79 -20.447 13.531 0.789 1.00 10.00 O ATOM 0 H GLY A 79 -18.764 10.296 -0.590 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -18.691 13.233 -0.989 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -19.726 12.102 -1.839 1.00 10.00 H new ATOM 1214 N ARG A 80 -21.082 11.397 0.418 1.00 10.00 N ATOM 1215 CA ARG A 80 -22.262 11.311 1.256 1.00 10.00 C ATOM 1216 C ARG A 80 -22.774 9.884 1.050 1.00 10.00 C ATOM 1217 O ARG A 80 -22.180 9.206 0.178 1.00 10.00 O ATOM 1218 CB ARG A 80 -23.315 12.338 0.806 1.00 10.00 C ATOM 1219 CG ARG A 80 -23.479 13.482 1.813 1.00 10.00 C ATOM 1220 CD ARG A 80 -24.176 14.664 1.125 1.00 10.00 C ATOM 1221 NE ARG A 80 -25.085 15.373 2.038 1.00 10.00 N ATOM 1222 CZ ARG A 80 -25.920 16.349 1.651 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -25.813 16.860 0.418 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -26.860 16.803 2.488 1.00 10.00 N ATOM 1225 OXT ARG A 80 -23.745 9.517 1.744 1.00 10.00 O ATOM 0 H ARG A 80 -20.876 10.503 -0.028 1.00 10.00 H new ATOM 0 HA ARG A 80 -22.048 11.525 2.303 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -23.029 12.748 -0.163 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -24.273 11.837 0.670 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -24.065 13.147 2.669 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -22.505 13.790 2.193 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -23.425 15.359 0.749 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -24.737 14.303 0.263 1.00 10.00 H new ATOM 0 HE ARG A 80 -25.080 15.107 3.023 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -25.100 16.507 -0.220 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -26.445 17.602 0.117 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -26.944 16.407 3.424 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -27.493 17.545 2.190 1.00 10.00 H new TER 1239 ARG A 80