USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 42 THR OG1 : rot 131:sc= 0.945 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -150:sc= 1.06 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.225 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= 1.3 (180deg=1.18) USER MOD Single : A 12 MET CE :methyl 161:sc= -2.08 (180deg=-2.88) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.752 K(o=0.75,f=-0.15) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.13) USER MOD Single : A 37 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.14) USER MOD Single : A 44 THR OG1 : rot -85:sc= 0.288 USER MOD Single : A 47 TYR OH : rot 88:sc= 1.22 USER MOD Single : A 48 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 0.642 (180deg=0.294) USER MOD Single : A 66 TYR OH : rot 111:sc= 0.874 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.0817 (180deg=-0.196) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 1.1 K(o=1.1,f=-2.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.068 16.860 10.418 1.00 10.00 N ATOM 2 CA MET A 1 4.333 16.846 9.142 1.00 10.00 C ATOM 3 C MET A 1 4.152 15.391 8.716 1.00 10.00 C ATOM 4 O MET A 1 4.492 14.497 9.491 1.00 10.00 O ATOM 5 CB MET A 1 5.029 17.721 8.084 1.00 10.00 C ATOM 6 CG MET A 1 4.628 19.195 8.229 1.00 10.00 C ATOM 7 SD MET A 1 5.381 20.300 7.009 1.00 10.00 S ATOM 8 CE MET A 1 4.488 21.829 7.374 1.00 10.00 C ATOM 0 H1 MET A 1 4.481 17.305 11.152 1.00 10.00 H new ATOM 0 H2 MET A 1 5.294 15.885 10.699 1.00 10.00 H new ATOM 0 H3 MET A 1 5.949 17.400 10.305 1.00 10.00 H new ATOM 0 HA MET A 1 3.345 17.291 9.260 1.00 10.00 H new ATOM 0 HB2 MET A 1 6.110 17.624 8.183 1.00 10.00 H new ATOM 0 HB3 MET A 1 4.767 17.367 7.087 1.00 10.00 H new ATOM 0 HG2 MET A 1 3.544 19.273 8.151 1.00 10.00 H new ATOM 0 HG3 MET A 1 4.901 19.536 9.227 1.00 10.00 H new ATOM 0 HE1 MET A 1 4.832 22.620 6.707 1.00 10.00 H new ATOM 0 HE2 MET A 1 3.420 21.670 7.227 1.00 10.00 H new ATOM 0 HE3 MET A 1 4.673 22.120 8.408 1.00 10.00 H new ATOM 20 N THR A 2 3.562 15.155 7.549 1.00 10.00 N ATOM 21 CA THR A 2 3.165 13.854 7.033 1.00 10.00 C ATOM 22 C THR A 2 3.063 14.064 5.517 1.00 10.00 C ATOM 23 O THR A 2 3.006 15.220 5.089 1.00 10.00 O ATOM 24 CB THR A 2 1.827 13.448 7.687 1.00 10.00 C ATOM 25 OG1 THR A 2 1.864 13.720 9.077 1.00 10.00 O ATOM 26 CG2 THR A 2 1.462 11.974 7.527 1.00 10.00 C ATOM 0 H THR A 2 3.336 15.911 6.903 1.00 10.00 H new ATOM 0 HA THR A 2 3.861 13.045 7.254 1.00 10.00 H new ATOM 0 HB THR A 2 1.073 14.037 7.165 1.00 10.00 H new ATOM 0 HG1 THR A 2 1.011 13.461 9.484 1.00 10.00 H new ATOM 0 HG21 THR A 2 0.508 11.780 8.017 1.00 10.00 H new ATOM 0 HG22 THR A 2 1.381 11.732 6.467 1.00 10.00 H new ATOM 0 HG23 THR A 2 2.236 11.356 7.982 1.00 10.00 H new ATOM 34 N GLU A 3 3.077 13.001 4.715 1.00 10.00 N ATOM 35 CA GLU A 3 3.011 13.052 3.275 1.00 10.00 C ATOM 36 C GLU A 3 1.965 12.033 2.854 1.00 10.00 C ATOM 37 O GLU A 3 1.774 11.007 3.512 1.00 10.00 O ATOM 38 CB GLU A 3 4.386 12.793 2.634 1.00 10.00 C ATOM 39 CG GLU A 3 4.886 11.343 2.763 1.00 10.00 C ATOM 40 CD GLU A 3 6.308 11.160 2.239 1.00 10.00 C ATOM 41 OE1 GLU A 3 7.090 12.125 2.364 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.605 10.045 1.754 1.00 10.00 O ATOM 0 H GLU A 3 3.137 12.049 5.075 1.00 10.00 H new ATOM 0 HA GLU A 3 2.726 14.045 2.929 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.335 13.054 1.577 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.118 13.459 3.092 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.848 11.042 3.810 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.214 10.682 2.216 1.00 10.00 H new ATOM 49 N LYS A 4 1.292 12.378 1.767 1.00 10.00 N ATOM 50 CA LYS A 4 0.350 11.560 1.033 1.00 10.00 C ATOM 51 C LYS A 4 1.114 11.014 -0.161 1.00 10.00 C ATOM 52 O LYS A 4 1.806 11.771 -0.832 1.00 10.00 O ATOM 53 CB LYS A 4 -0.810 12.424 0.542 1.00 10.00 C ATOM 54 CG LYS A 4 -1.540 13.153 1.675 1.00 10.00 C ATOM 55 CD LYS A 4 -2.449 14.197 1.031 1.00 10.00 C ATOM 56 CE LYS A 4 -3.172 15.054 2.069 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.045 16.032 1.390 1.00 10.00 N ATOM 0 H LYS A 4 1.400 13.302 1.349 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.058 10.762 1.654 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.432 13.158 -0.170 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.521 11.796 0.005 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.123 12.451 2.271 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.827 13.628 2.349 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -1.856 14.840 0.381 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.184 13.697 0.400 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.765 14.420 2.728 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.446 15.574 2.694 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.738 16.408 2.068 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.468 16.812 1.016 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.546 15.565 0.607 1.00 10.00 H new ATOM 71 N ALA A 5 1.001 9.718 -0.421 1.00 10.00 N ATOM 72 CA ALA A 5 1.611 9.067 -1.561 1.00 10.00 C ATOM 73 C ALA A 5 0.547 8.157 -2.155 1.00 10.00 C ATOM 74 O ALA A 5 -0.318 7.685 -1.416 1.00 10.00 O ATOM 75 CB ALA A 5 2.830 8.282 -1.082 1.00 10.00 C ATOM 0 H ALA A 5 0.469 9.080 0.172 1.00 10.00 H new ATOM 0 HA ALA A 5 1.955 9.773 -2.318 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.300 7.786 -1.931 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.544 8.964 -0.620 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.518 7.535 -0.352 1.00 10.00 H new ATOM 81 N GLU A 6 0.583 7.913 -3.467 1.00 10.00 N ATOM 82 CA GLU A 6 -0.387 7.051 -4.105 1.00 10.00 C ATOM 83 C GLU A 6 0.396 6.025 -4.886 1.00 10.00 C ATOM 84 O GLU A 6 1.374 6.383 -5.551 1.00 10.00 O ATOM 85 CB GLU A 6 -1.337 7.838 -5.015 1.00 10.00 C ATOM 86 CG GLU A 6 -2.781 7.631 -4.548 1.00 10.00 C ATOM 87 CD GLU A 6 -3.855 8.024 -5.547 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.550 8.125 -6.758 1.00 10.00 O ATOM 89 OE2 GLU A 6 -5.001 8.121 -5.062 1.00 10.00 O ATOM 0 H GLU A 6 1.279 8.306 -4.101 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.022 6.573 -3.359 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.085 8.898 -4.992 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -1.226 7.506 -6.047 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.914 6.580 -4.293 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.934 8.203 -3.633 1.00 10.00 H new ATOM 96 N PHE A 7 -0.017 4.766 -4.784 1.00 10.00 N ATOM 97 CA PHE A 7 0.604 3.668 -5.475 1.00 10.00 C ATOM 98 C PHE A 7 -0.450 2.962 -6.299 1.00 10.00 C ATOM 99 O PHE A 7 -1.603 2.868 -5.883 1.00 10.00 O ATOM 100 CB PHE A 7 1.223 2.703 -4.471 1.00 10.00 C ATOM 101 CG PHE A 7 1.984 3.353 -3.333 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.861 4.418 -3.595 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.831 2.892 -2.015 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.490 5.097 -2.545 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.506 3.542 -0.969 1.00 10.00 C ATOM 106 CZ PHE A 7 3.299 4.672 -1.223 1.00 10.00 C ATOM 0 H PHE A 7 -0.809 4.487 -4.205 1.00 10.00 H new ATOM 0 HA PHE A 7 1.396 4.037 -6.127 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.430 2.085 -4.050 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.899 2.035 -5.004 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.052 4.716 -4.615 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.198 2.042 -1.807 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.122 5.948 -2.753 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.414 3.169 0.040 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.758 5.210 -0.407 1.00 10.00 H new ATOM 116 N ASP A 8 -0.025 2.457 -7.448 1.00 10.00 N ATOM 117 CA ASP A 8 -0.825 1.660 -8.351 1.00 10.00 C ATOM 118 C ASP A 8 -0.548 0.222 -7.947 1.00 10.00 C ATOM 119 O ASP A 8 0.613 -0.088 -7.666 1.00 10.00 O ATOM 120 CB ASP A 8 -0.345 1.962 -9.770 1.00 10.00 C ATOM 121 CG ASP A 8 -0.840 0.948 -10.783 1.00 10.00 C ATOM 122 OD1 ASP A 8 -0.192 -0.117 -10.860 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.819 1.286 -11.480 1.00 10.00 O ATOM 0 H ASP A 8 0.927 2.600 -7.785 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.895 1.862 -8.312 1.00 10.00 H new ATOM 0 HB2 ASP A 8 -0.685 2.956 -10.061 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.745 1.982 -9.784 1.00 10.00 H new ATOM 128 N ILE A 9 -1.588 -0.608 -7.824 1.00 10.00 N ATOM 129 CA ILE A 9 -1.429 -2.023 -7.523 1.00 10.00 C ATOM 130 C ILE A 9 -1.929 -2.828 -8.719 1.00 10.00 C ATOM 131 O ILE A 9 -2.899 -2.421 -9.351 1.00 10.00 O ATOM 132 CB ILE A 9 -2.168 -2.436 -6.237 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.134 -1.403 -5.102 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.542 -3.708 -5.667 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.305 -0.446 -5.234 1.00 10.00 C ATOM 0 H ILE A 9 -2.559 -0.313 -7.931 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.373 -2.226 -7.344 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.204 -2.560 -6.552 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.175 -1.909 -4.138 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.196 -0.849 -5.132 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.068 -3.996 -4.757 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.618 -4.511 -6.400 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.492 -3.525 -5.437 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.272 0.283 -4.424 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.245 0.072 -6.191 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.239 -1.005 -5.181 1.00 10.00 H new ATOM 147 N GLU A 10 -1.297 -3.973 -8.995 1.00 10.00 N ATOM 148 CA GLU A 10 -1.764 -4.918 -9.998 1.00 10.00 C ATOM 149 C GLU A 10 -1.998 -6.279 -9.350 1.00 10.00 C ATOM 150 O GLU A 10 -1.060 -6.904 -8.845 1.00 10.00 O ATOM 151 CB GLU A 10 -0.734 -5.091 -11.113 1.00 10.00 C ATOM 152 CG GLU A 10 -0.460 -3.815 -11.918 1.00 10.00 C ATOM 153 CD GLU A 10 0.566 -4.078 -13.018 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.136 -4.560 -14.088 1.00 10.00 O ATOM 155 OE2 GLU A 10 1.769 -3.835 -12.761 1.00 10.00 O ATOM 0 H GLU A 10 -0.442 -4.266 -8.522 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.689 -4.527 -10.421 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.202 -5.440 -10.677 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.079 -5.870 -11.793 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.388 -3.452 -12.359 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.095 -3.032 -11.254 1.00 10.00 H new ATOM 162 N GLY A 11 -3.239 -6.751 -9.440 1.00 10.00 N ATOM 163 CA GLY A 11 -3.632 -8.141 -9.247 1.00 10.00 C ATOM 164 C GLY A 11 -4.728 -8.320 -8.198 1.00 10.00 C ATOM 165 O GLY A 11 -5.317 -9.402 -8.123 1.00 10.00 O ATOM 0 H GLY A 11 -4.031 -6.147 -9.659 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.978 -8.549 -10.197 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.758 -8.721 -8.951 1.00 10.00 H new ATOM 169 N MET A 12 -5.008 -7.290 -7.391 1.00 10.00 N ATOM 170 CA MET A 12 -5.938 -7.342 -6.271 1.00 10.00 C ATOM 171 C MET A 12 -7.389 -7.428 -6.750 1.00 10.00 C ATOM 172 O MET A 12 -8.195 -6.525 -6.546 1.00 10.00 O ATOM 173 CB MET A 12 -5.712 -6.125 -5.373 1.00 10.00 C ATOM 174 CG MET A 12 -5.706 -4.813 -6.176 1.00 10.00 C ATOM 175 SD MET A 12 -6.134 -3.330 -5.241 1.00 10.00 S ATOM 176 CE MET A 12 -5.065 -3.635 -3.834 1.00 10.00 C ATOM 0 H MET A 12 -4.578 -6.373 -7.508 1.00 10.00 H new ATOM 0 HA MET A 12 -5.749 -8.247 -5.694 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.494 -6.083 -4.615 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.763 -6.233 -4.847 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.715 -4.676 -6.608 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.405 -4.912 -7.007 1.00 10.00 H new ATOM 0 HE1 MET A 12 -4.906 -2.704 -3.289 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.532 -4.367 -3.174 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.106 -4.020 -4.182 1.00 10.00 H new ATOM 186 N THR A 13 -7.734 -8.548 -7.372 1.00 10.00 N ATOM 187 CA THR A 13 -9.021 -8.743 -8.012 1.00 10.00 C ATOM 188 C THR A 13 -10.054 -9.214 -6.980 1.00 10.00 C ATOM 189 O THR A 13 -11.250 -9.235 -7.270 1.00 10.00 O ATOM 190 CB THR A 13 -8.854 -9.716 -9.192 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.622 -9.493 -9.862 1.00 10.00 O ATOM 192 CG2 THR A 13 -9.967 -9.518 -10.226 1.00 10.00 C ATOM 0 H THR A 13 -7.116 -9.356 -7.445 1.00 10.00 H new ATOM 0 HA THR A 13 -9.397 -7.804 -8.417 1.00 10.00 H new ATOM 0 HB THR A 13 -8.890 -10.723 -8.776 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.536 -10.124 -10.607 1.00 10.00 H new ATOM 0 HG21 THR A 13 -9.827 -10.217 -11.050 1.00 10.00 H new ATOM 0 HG22 THR A 13 -10.935 -9.698 -9.758 1.00 10.00 H new ATOM 0 HG23 THR A 13 -9.933 -8.497 -10.607 1.00 10.00 H new ATOM 200 N CYS A 14 -9.600 -9.580 -5.775 1.00 10.00 N ATOM 201 CA CYS A 14 -10.422 -10.024 -4.667 1.00 10.00 C ATOM 202 C CYS A 14 -10.397 -8.965 -3.561 1.00 10.00 C ATOM 203 O CYS A 14 -9.365 -8.362 -3.279 1.00 10.00 O ATOM 204 CB CYS A 14 -9.900 -11.387 -4.191 1.00 10.00 C ATOM 205 SG CYS A 14 -8.107 -11.508 -3.931 1.00 10.00 S ATOM 0 H CYS A 14 -8.606 -9.571 -5.546 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.462 -10.148 -4.969 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.400 -11.639 -3.256 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.193 -12.141 -4.922 1.00 10.00 H new ATOM 210 N ALA A 15 -11.534 -8.737 -2.902 1.00 10.00 N ATOM 211 CA ALA A 15 -11.586 -7.826 -1.764 1.00 10.00 C ATOM 212 C ALA A 15 -10.595 -8.263 -0.678 1.00 10.00 C ATOM 213 O ALA A 15 -9.949 -7.434 -0.040 1.00 10.00 O ATOM 214 CB ALA A 15 -13.015 -7.760 -1.221 1.00 10.00 C ATOM 0 H ALA A 15 -12.427 -9.170 -3.138 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.295 -6.827 -2.090 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.050 -7.079 -0.371 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.685 -7.401 -2.002 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.329 -8.754 -0.902 1.00 10.00 H new ATOM 220 N ALA A 16 -10.460 -9.580 -0.490 1.00 10.00 N ATOM 221 CA ALA A 16 -9.507 -10.176 0.434 1.00 10.00 C ATOM 222 C ALA A 16 -8.091 -9.642 0.198 1.00 10.00 C ATOM 223 O ALA A 16 -7.412 -9.253 1.149 1.00 10.00 O ATOM 224 CB ALA A 16 -9.546 -11.701 0.293 1.00 10.00 C ATOM 0 H ALA A 16 -11.024 -10.269 -0.988 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.789 -9.902 1.451 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.832 -12.149 0.985 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.549 -12.062 0.522 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.285 -11.979 -0.728 1.00 10.00 H new ATOM 230 N CYS A 17 -7.652 -9.619 -1.064 1.00 10.00 N ATOM 231 CA CYS A 17 -6.351 -9.112 -1.470 1.00 10.00 C ATOM 232 C CYS A 17 -6.175 -7.693 -0.957 1.00 10.00 C ATOM 233 O CYS A 17 -5.213 -7.394 -0.247 1.00 10.00 O ATOM 234 CB CYS A 17 -6.260 -9.154 -2.999 1.00 10.00 C ATOM 235 SG CYS A 17 -6.438 -10.843 -3.638 1.00 10.00 S ATOM 0 H CYS A 17 -8.210 -9.962 -1.846 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.556 -9.728 -1.049 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.036 -8.520 -3.427 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.302 -8.744 -3.318 1.00 10.00 H new ATOM 240 N ALA A 18 -7.122 -6.829 -1.309 1.00 10.00 N ATOM 241 CA ALA A 18 -7.096 -5.440 -0.900 1.00 10.00 C ATOM 242 C ALA A 18 -7.056 -5.312 0.624 1.00 10.00 C ATOM 243 O ALA A 18 -6.192 -4.621 1.156 1.00 10.00 O ATOM 244 CB ALA A 18 -8.260 -4.709 -1.562 1.00 10.00 C ATOM 0 H ALA A 18 -7.926 -7.078 -1.885 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.179 -4.959 -1.240 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.250 -3.661 -1.261 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.163 -4.776 -2.646 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.200 -5.167 -1.253 1.00 10.00 H new ATOM 250 N ASN A 19 -7.917 -6.020 1.356 1.00 10.00 N ATOM 251 CA ASN A 19 -7.819 -6.003 2.814 1.00 10.00 C ATOM 252 C ASN A 19 -6.437 -6.472 3.285 1.00 10.00 C ATOM 253 O ASN A 19 -5.906 -5.947 4.263 1.00 10.00 O ATOM 254 CB ASN A 19 -8.921 -6.843 3.472 1.00 10.00 C ATOM 255 CG ASN A 19 -10.278 -6.148 3.593 1.00 10.00 C ATOM 256 OD1 ASN A 19 -11.303 -6.772 3.338 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.342 -4.888 4.026 1.00 10.00 N ATOM 0 H ASN A 19 -8.669 -6.596 0.977 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.957 -4.968 3.127 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.049 -7.760 2.898 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.589 -7.135 4.468 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.248 -4.436 4.147 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.485 -4.377 4.236 1.00 10.00 H new ATOM 264 N ARG A 20 -5.827 -7.454 2.613 1.00 10.00 N ATOM 265 CA ARG A 20 -4.503 -7.920 2.965 1.00 10.00 C ATOM 266 C ARG A 20 -3.464 -6.809 2.764 1.00 10.00 C ATOM 267 O ARG A 20 -2.573 -6.660 3.605 1.00 10.00 O ATOM 268 CB ARG A 20 -4.173 -9.204 2.191 1.00 10.00 C ATOM 269 CG ARG A 20 -4.147 -10.433 3.107 1.00 10.00 C ATOM 270 CD ARG A 20 -5.569 -10.834 3.534 1.00 10.00 C ATOM 271 NE ARG A 20 -5.600 -11.494 4.850 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.110 -12.710 5.138 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.531 -13.439 4.178 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.197 -13.188 6.385 1.00 10.00 N ATOM 0 H ARG A 20 -6.243 -7.938 1.817 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.475 -8.173 4.025 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.912 -9.353 1.404 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.205 -9.095 1.703 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.670 -11.266 2.590 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.545 -10.220 3.990 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.200 -9.946 3.562 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.994 -11.503 2.786 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.035 -10.978 5.615 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.462 -13.071 3.229 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.158 -14.363 4.394 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.636 -12.628 7.116 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -4.825 -14.112 6.604 1.00 10.00 H new ATOM 288 N ILE A 21 -3.596 -6.006 1.697 1.00 10.00 N ATOM 289 CA ILE A 21 -2.780 -4.799 1.538 1.00 10.00 C ATOM 290 C ILE A 21 -2.889 -3.972 2.815 1.00 10.00 C ATOM 291 O ILE A 21 -1.876 -3.696 3.450 1.00 10.00 O ATOM 292 CB ILE A 21 -3.212 -3.913 0.353 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.204 -4.603 -1.009 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.412 -2.606 0.288 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.834 -4.620 -1.681 1.00 10.00 C ATOM 0 H ILE A 21 -4.256 -6.172 0.938 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.760 -5.128 1.339 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.257 -3.687 0.567 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.552 -5.629 -0.889 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.914 -4.100 -1.665 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.751 -2.014 -0.562 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.564 -2.040 1.207 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.352 -2.833 0.173 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -1.907 -5.126 -2.644 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.491 -3.597 -1.834 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.124 -5.149 -1.046 1.00 10.00 H new ATOM 307 N GLU A 22 -4.114 -3.583 3.185 1.00 10.00 N ATOM 308 CA GLU A 22 -4.348 -2.717 4.335 1.00 10.00 C ATOM 309 C GLU A 22 -3.677 -3.309 5.562 1.00 10.00 C ATOM 310 O GLU A 22 -3.006 -2.605 6.310 1.00 10.00 O ATOM 311 CB GLU A 22 -5.844 -2.548 4.610 1.00 10.00 C ATOM 312 CG GLU A 22 -6.580 -1.974 3.406 1.00 10.00 C ATOM 313 CD GLU A 22 -8.064 -1.807 3.688 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.663 -2.803 4.158 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.558 -0.689 3.427 1.00 10.00 O ATOM 0 H GLU A 22 -4.965 -3.861 2.695 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.927 -1.737 4.111 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.276 -3.513 4.874 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.984 -1.891 5.468 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.148 -1.009 3.140 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.443 -2.631 2.547 1.00 10.00 H new ATOM 322 N LYS A 23 -3.861 -4.613 5.761 1.00 10.00 N ATOM 323 CA LYS A 23 -3.270 -5.341 6.868 1.00 10.00 C ATOM 324 C LYS A 23 -1.747 -5.178 6.889 1.00 10.00 C ATOM 325 O LYS A 23 -1.181 -4.857 7.934 1.00 10.00 O ATOM 326 CB LYS A 23 -3.699 -6.816 6.803 1.00 10.00 C ATOM 327 CG LYS A 23 -4.640 -7.197 7.954 1.00 10.00 C ATOM 328 CD LYS A 23 -3.951 -7.233 9.327 1.00 10.00 C ATOM 329 CE LYS A 23 -3.063 -8.475 9.496 1.00 10.00 C ATOM 330 NZ LYS A 23 -2.448 -8.525 10.838 1.00 10.00 N ATOM 0 H LYS A 23 -4.432 -5.195 5.148 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.635 -4.925 7.807 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.196 -7.007 5.852 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.814 -7.452 6.834 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.464 -6.484 7.989 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.073 -8.176 7.749 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.345 -6.335 9.452 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.707 -7.219 10.112 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.659 -9.374 9.334 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.281 -8.470 8.737 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.856 -9.376 10.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.860 -7.679 10.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.195 -8.555 11.561 1.00 10.00 H new ATOM 344 N ARG A 24 -1.076 -5.405 5.754 1.00 10.00 N ATOM 345 CA ARG A 24 0.364 -5.185 5.669 1.00 10.00 C ATOM 346 C ARG A 24 0.708 -3.725 5.951 1.00 10.00 C ATOM 347 O ARG A 24 1.567 -3.453 6.784 1.00 10.00 O ATOM 348 CB ARG A 24 0.928 -5.606 4.302 1.00 10.00 C ATOM 349 CG ARG A 24 1.618 -6.976 4.334 1.00 10.00 C ATOM 350 CD ARG A 24 2.914 -6.974 5.156 1.00 10.00 C ATOM 351 NE ARG A 24 3.765 -8.122 4.799 1.00 10.00 N ATOM 352 CZ ARG A 24 3.629 -9.370 5.273 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.619 -9.657 6.103 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.496 -10.324 4.921 1.00 10.00 N ATOM 0 H ARG A 24 -1.506 -5.738 4.891 1.00 10.00 H new ATOM 0 HA ARG A 24 0.829 -5.812 6.430 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.118 -5.630 3.573 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.640 -4.854 3.962 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.931 -7.713 4.750 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.841 -7.288 3.314 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.458 -6.045 4.983 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.675 -7.010 6.219 1.00 10.00 H new ATOM 0 HE ARG A 24 4.521 -7.954 4.136 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.957 -8.929 6.372 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.511 -10.604 6.466 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.266 -10.105 4.289 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.388 -11.271 5.284 1.00 10.00 H new ATOM 368 N LEU A 25 0.065 -2.790 5.251 1.00 10.00 N ATOM 369 CA LEU A 25 0.407 -1.378 5.350 1.00 10.00 C ATOM 370 C LEU A 25 0.231 -0.875 6.784 1.00 10.00 C ATOM 371 O LEU A 25 1.109 -0.199 7.310 1.00 10.00 O ATOM 372 CB LEU A 25 -0.390 -0.553 4.335 1.00 10.00 C ATOM 373 CG LEU A 25 -0.052 -0.908 2.874 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.911 -0.050 1.945 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.421 -0.662 2.522 1.00 10.00 C ATOM 0 H LEU A 25 -0.700 -2.991 4.606 1.00 10.00 H new ATOM 0 HA LEU A 25 1.461 -1.254 5.100 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.455 -0.709 4.504 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.193 0.506 4.501 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.252 -1.972 2.750 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.680 -0.293 0.908 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.965 -0.248 2.138 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.701 1.004 2.126 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.596 -0.931 1.480 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.659 0.391 2.670 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.056 -1.271 3.165 1.00 10.00 H new ATOM 387 N ASN A 26 -0.861 -1.252 7.450 1.00 10.00 N ATOM 388 CA ASN A 26 -1.080 -0.961 8.862 1.00 10.00 C ATOM 389 C ASN A 26 0.071 -1.488 9.719 1.00 10.00 C ATOM 390 O ASN A 26 0.445 -0.862 10.704 1.00 10.00 O ATOM 391 CB ASN A 26 -2.394 -1.585 9.341 1.00 10.00 C ATOM 392 CG ASN A 26 -3.580 -0.648 9.135 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.984 0.063 10.047 1.00 10.00 O ATOM 394 ND2 ASN A 26 -4.156 -0.643 7.938 1.00 10.00 N ATOM 0 H ASN A 26 -1.624 -1.773 7.018 1.00 10.00 H new ATOM 0 HA ASN A 26 -1.131 0.122 8.970 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.570 -2.517 8.803 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.311 -1.838 10.398 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.956 -0.036 7.760 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.798 -1.246 7.197 1.00 10.00 H new ATOM 401 N LYS A 27 0.618 -2.652 9.361 1.00 10.00 N ATOM 402 CA LYS A 27 1.758 -3.226 10.062 1.00 10.00 C ATOM 403 C LYS A 27 3.041 -2.395 9.893 1.00 10.00 C ATOM 404 O LYS A 27 4.022 -2.679 10.576 1.00 10.00 O ATOM 405 CB LYS A 27 1.995 -4.682 9.623 1.00 10.00 C ATOM 406 CG LYS A 27 2.622 -5.506 10.760 1.00 10.00 C ATOM 407 CD LYS A 27 3.548 -6.597 10.202 1.00 10.00 C ATOM 408 CE LYS A 27 4.225 -7.407 11.319 1.00 10.00 C ATOM 409 NZ LYS A 27 3.279 -8.271 12.053 1.00 10.00 N ATOM 0 H LYS A 27 0.282 -3.217 8.581 1.00 10.00 H new ATOM 0 HA LYS A 27 1.509 -3.212 11.123 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.050 -5.133 9.321 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.650 -4.701 8.752 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.186 -4.849 11.422 1.00 10.00 H new ATOM 0 HG3 LYS A 27 1.835 -5.963 11.359 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.973 -7.269 9.565 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.311 -6.138 9.574 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.013 -8.024 10.888 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.703 -6.722 12.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 3.789 -8.793 12.794 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.540 -7.684 12.490 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.841 -8.945 11.393 1.00 10.00 H new ATOM 423 N ILE A 28 3.094 -1.430 8.970 1.00 10.00 N ATOM 424 CA ILE A 28 4.264 -0.572 8.839 1.00 10.00 C ATOM 425 C ILE A 28 4.280 0.423 10.002 1.00 10.00 C ATOM 426 O ILE A 28 3.261 1.012 10.359 1.00 10.00 O ATOM 427 CB ILE A 28 4.265 0.160 7.490 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.151 -0.752 6.265 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.406 1.173 7.366 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.478 -1.428 5.997 1.00 10.00 C ATOM 0 H ILE A 28 2.344 -1.228 8.309 1.00 10.00 H new ATOM 0 HA ILE A 28 5.165 -1.184 8.872 1.00 10.00 H new ATOM 0 HB ILE A 28 3.336 0.729 7.493 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.378 -1.503 6.431 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.848 -0.170 5.395 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.356 1.660 6.392 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.314 1.923 8.152 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.362 0.659 7.466 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.387 -2.075 5.124 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.241 -0.672 5.811 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.763 -2.025 6.863 1.00 10.00 H new ATOM 442 N GLU A 29 5.464 0.622 10.568 1.00 10.00 N ATOM 443 CA GLU A 29 5.675 1.487 11.713 1.00 10.00 C ATOM 444 C GLU A 29 5.641 2.948 11.255 1.00 10.00 C ATOM 445 O GLU A 29 6.250 3.301 10.246 1.00 10.00 O ATOM 446 CB GLU A 29 7.009 1.141 12.388 1.00 10.00 C ATOM 447 CG GLU A 29 7.107 -0.342 12.798 1.00 10.00 C ATOM 448 CD GLU A 29 6.062 -0.762 13.830 1.00 10.00 C ATOM 449 OE1 GLU A 29 5.715 0.089 14.678 1.00 10.00 O ATOM 450 OE2 GLU A 29 5.642 -1.939 13.767 1.00 10.00 O ATOM 0 H GLU A 29 6.319 0.176 10.234 1.00 10.00 H new ATOM 0 HA GLU A 29 4.882 1.338 12.446 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.827 1.380 11.708 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.136 1.766 13.272 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.998 -0.964 11.909 1.00 10.00 H new ATOM 0 HG3 GLU A 29 8.101 -0.534 13.201 1.00 10.00 H new ATOM 457 N GLY A 30 4.891 3.790 11.969 1.00 10.00 N ATOM 458 CA GLY A 30 4.836 5.219 11.716 1.00 10.00 C ATOM 459 C GLY A 30 3.988 5.542 10.491 1.00 10.00 C ATOM 460 O GLY A 30 4.107 6.631 9.928 1.00 10.00 O ATOM 0 H GLY A 30 4.301 3.489 12.745 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.424 5.727 12.588 1.00 10.00 H new ATOM 0 HA3 GLY A 30 5.846 5.602 11.571 1.00 10.00 H new ATOM 464 N VAL A 31 3.106 4.620 10.094 1.00 10.00 N ATOM 465 CA VAL A 31 2.136 4.873 9.045 1.00 10.00 C ATOM 466 C VAL A 31 0.987 5.698 9.631 1.00 10.00 C ATOM 467 O VAL A 31 0.633 5.503 10.792 1.00 10.00 O ATOM 468 CB VAL A 31 1.683 3.538 8.425 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.752 2.747 9.352 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.006 3.746 7.065 1.00 10.00 C ATOM 0 H VAL A 31 3.051 3.683 10.494 1.00 10.00 H new ATOM 0 HA VAL A 31 2.571 5.454 8.232 1.00 10.00 H new ATOM 0 HB VAL A 31 2.591 2.952 8.280 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.462 1.815 8.867 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.270 2.525 10.285 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -0.139 3.338 9.564 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.700 2.782 6.659 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.129 4.382 7.188 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.706 4.223 6.379 1.00 10.00 H new ATOM 480 N ALA A 32 0.410 6.624 8.857 1.00 10.00 N ATOM 481 CA ALA A 32 -0.765 7.371 9.290 1.00 10.00 C ATOM 482 C ALA A 32 -2.020 6.625 8.843 1.00 10.00 C ATOM 483 O ALA A 32 -2.875 6.310 9.668 1.00 10.00 O ATOM 484 CB ALA A 32 -0.723 8.813 8.775 1.00 10.00 C ATOM 0 H ALA A 32 0.743 6.871 7.925 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.778 7.441 10.378 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.612 9.346 9.113 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.167 9.311 9.159 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.695 8.810 7.685 1.00 10.00 H new ATOM 490 N ASN A 33 -2.130 6.312 7.547 1.00 10.00 N ATOM 491 CA ASN A 33 -3.274 5.591 6.997 1.00 10.00 C ATOM 492 C ASN A 33 -2.936 5.093 5.594 1.00 10.00 C ATOM 493 O ASN A 33 -1.859 5.379 5.085 1.00 10.00 O ATOM 494 CB ASN A 33 -4.561 6.440 7.047 1.00 10.00 C ATOM 495 CG ASN A 33 -4.346 7.897 6.644 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.048 8.727 7.496 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.499 8.226 5.367 1.00 10.00 N ATOM 0 H ASN A 33 -1.424 6.554 6.852 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.481 4.718 7.616 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.306 5.995 6.387 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.969 6.407 8.057 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.368 9.193 5.070 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.747 7.512 4.683 1.00 10.00 H new ATOM 504 N ALA A 34 -3.829 4.299 4.997 1.00 10.00 N ATOM 505 CA ALA A 34 -3.618 3.583 3.741 1.00 10.00 C ATOM 506 C ALA A 34 -4.869 2.830 3.247 1.00 10.00 C ATOM 507 O ALA A 34 -4.799 1.619 3.041 1.00 10.00 O ATOM 508 CB ALA A 34 -2.455 2.596 3.912 1.00 10.00 C ATOM 0 H ALA A 34 -4.754 4.132 5.393 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.387 4.331 2.983 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.293 2.059 2.977 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.550 3.142 4.178 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.695 1.885 4.702 1.00 10.00 H new ATOM 514 N PRO A 35 -6.015 3.498 3.036 1.00 10.00 N ATOM 515 CA PRO A 35 -7.202 2.844 2.501 1.00 10.00 C ATOM 516 C PRO A 35 -7.007 2.503 1.015 1.00 10.00 C ATOM 517 O PRO A 35 -6.682 3.381 0.214 1.00 10.00 O ATOM 518 CB PRO A 35 -8.334 3.854 2.710 1.00 10.00 C ATOM 519 CG PRO A 35 -7.623 5.207 2.648 1.00 10.00 C ATOM 520 CD PRO A 35 -6.262 4.910 3.280 1.00 10.00 C ATOM 0 HA PRO A 35 -7.418 1.897 2.996 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.098 3.766 1.937 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.832 3.706 3.668 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.523 5.564 1.623 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.166 5.974 3.201 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.481 5.527 2.835 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.270 5.127 4.348 1.00 10.00 H new ATOM 528 N VAL A 36 -7.208 1.238 0.631 1.00 10.00 N ATOM 529 CA VAL A 36 -7.169 0.830 -0.770 1.00 10.00 C ATOM 530 C VAL A 36 -8.400 1.356 -1.510 1.00 10.00 C ATOM 531 O VAL A 36 -9.523 1.217 -1.029 1.00 10.00 O ATOM 532 CB VAL A 36 -7.090 -0.700 -0.867 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.184 -1.164 -2.328 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.775 -1.213 -0.273 1.00 10.00 C ATOM 0 H VAL A 36 -7.401 0.476 1.281 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.282 1.255 -1.240 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.930 -1.105 -0.303 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -7.125 -2.252 -2.369 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.132 -0.835 -2.754 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -6.361 -0.735 -2.900 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.740 -2.300 -0.352 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.936 -0.782 -0.820 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.712 -0.923 0.776 1.00 10.00 H new ATOM 544 N ASN A 37 -8.206 1.906 -2.714 1.00 10.00 N ATOM 545 CA ASN A 37 -9.292 2.373 -3.560 1.00 10.00 C ATOM 546 C ASN A 37 -9.629 1.288 -4.591 1.00 10.00 C ATOM 547 O ASN A 37 -9.138 1.305 -5.728 1.00 10.00 O ATOM 548 CB ASN A 37 -8.900 3.721 -4.175 1.00 10.00 C ATOM 549 CG ASN A 37 -10.025 4.310 -5.008 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.727 5.228 -4.602 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.185 3.767 -6.203 1.00 10.00 N ATOM 0 H ASN A 37 -7.282 2.037 -3.125 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.204 2.546 -2.988 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.632 4.418 -3.381 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.015 3.592 -4.798 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.915 4.111 -6.826 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.578 3.004 -6.502 1.00 10.00 H new ATOM 558 N PHE A 38 -10.484 0.341 -4.186 1.00 10.00 N ATOM 559 CA PHE A 38 -10.931 -0.775 -5.018 1.00 10.00 C ATOM 560 C PHE A 38 -11.856 -0.280 -6.135 1.00 10.00 C ATOM 561 O PHE A 38 -13.076 -0.405 -6.060 1.00 10.00 O ATOM 562 CB PHE A 38 -11.603 -1.855 -4.154 1.00 10.00 C ATOM 563 CG PHE A 38 -11.591 -3.246 -4.769 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.419 -3.566 -5.864 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.693 -4.210 -4.278 1.00 10.00 C ATOM 566 CE1 PHE A 38 -12.310 -4.821 -6.489 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.599 -5.471 -4.888 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.399 -5.772 -6.003 1.00 10.00 C ATOM 0 H PHE A 38 -10.891 0.332 -3.251 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.062 -1.229 -5.494 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.102 -1.894 -3.187 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.636 -1.563 -3.966 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.139 -2.846 -6.224 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.071 -3.979 -3.426 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.928 -5.053 -7.344 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.912 -6.209 -4.500 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.313 -6.734 -6.486 1.00 10.00 H new ATOM 578 N ALA A 39 -11.257 0.295 -7.174 1.00 10.00 N ATOM 579 CA ALA A 39 -11.921 0.721 -8.401 1.00 10.00 C ATOM 580 C ALA A 39 -10.865 1.044 -9.456 1.00 10.00 C ATOM 581 O ALA A 39 -10.868 0.485 -10.547 1.00 10.00 O ATOM 582 CB ALA A 39 -12.816 1.934 -8.120 1.00 10.00 C ATOM 0 H ALA A 39 -10.255 0.484 -7.184 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.556 -0.081 -8.777 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.308 2.245 -9.042 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.570 1.666 -7.379 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.208 2.754 -7.739 1.00 10.00 H new ATOM 588 N LEU A 40 -9.951 1.949 -9.103 1.00 10.00 N ATOM 589 CA LEU A 40 -8.843 2.395 -9.938 1.00 10.00 C ATOM 590 C LEU A 40 -7.637 1.459 -9.781 1.00 10.00 C ATOM 591 O LEU A 40 -6.672 1.576 -10.530 1.00 10.00 O ATOM 592 CB LEU A 40 -8.423 3.826 -9.550 1.00 10.00 C ATOM 593 CG LEU A 40 -9.518 4.857 -9.381 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.089 6.009 -8.464 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.986 5.392 -10.729 1.00 10.00 C ATOM 0 H LEU A 40 -9.966 2.407 -8.192 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.177 2.381 -10.976 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.867 3.771 -8.614 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.732 4.191 -10.310 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.356 4.350 -8.902 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.906 6.724 -8.372 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.838 5.616 -7.479 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.217 6.507 -8.889 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.773 6.130 -10.574 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.148 5.858 -11.246 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.373 4.571 -11.332 1.00 10.00 H new ATOM 607 N GLU A 41 -7.668 0.596 -8.759 1.00 10.00 N ATOM 608 CA GLU A 41 -6.578 -0.302 -8.383 1.00 10.00 C ATOM 609 C GLU A 41 -5.368 0.543 -7.964 1.00 10.00 C ATOM 610 O GLU A 41 -4.232 0.359 -8.392 1.00 10.00 O ATOM 611 CB GLU A 41 -6.308 -1.371 -9.467 1.00 10.00 C ATOM 612 CG GLU A 41 -6.102 -2.749 -8.814 1.00 10.00 C ATOM 613 CD GLU A 41 -5.772 -3.876 -9.795 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.220 -3.774 -10.955 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.124 -4.856 -9.348 1.00 10.00 O ATOM 0 H GLU A 41 -8.482 0.503 -8.152 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.853 -0.902 -7.516 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -7.145 -1.412 -10.164 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.425 -1.099 -10.045 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.297 -2.673 -8.084 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.006 -3.015 -8.266 1.00 10.00 H new ATOM 622 N THR A 42 -5.659 1.517 -7.103 1.00 10.00 N ATOM 623 CA THR A 42 -4.734 2.480 -6.538 1.00 10.00 C ATOM 624 C THR A 42 -4.929 2.447 -5.010 1.00 10.00 C ATOM 625 O THR A 42 -6.044 2.195 -4.546 1.00 10.00 O ATOM 626 CB THR A 42 -5.028 3.860 -7.154 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.880 3.862 -8.571 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.096 4.933 -6.604 1.00 10.00 C ATOM 0 H THR A 42 -6.611 1.658 -6.764 1.00 10.00 H new ATOM 0 HA THR A 42 -3.692 2.250 -6.758 1.00 10.00 H new ATOM 0 HB THR A 42 -6.062 4.078 -6.887 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.669 4.273 -8.982 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.335 5.892 -7.063 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.222 5.006 -5.524 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.063 4.669 -6.831 1.00 10.00 H new ATOM 636 N VAL A 43 -3.871 2.676 -4.226 1.00 10.00 N ATOM 637 CA VAL A 43 -3.947 2.891 -2.780 1.00 10.00 C ATOM 638 C VAL A 43 -3.258 4.211 -2.439 1.00 10.00 C ATOM 639 O VAL A 43 -2.148 4.455 -2.911 1.00 10.00 O ATOM 640 CB VAL A 43 -3.336 1.704 -2.006 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.879 1.406 -2.389 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.402 1.930 -0.489 1.00 10.00 C ATOM 0 H VAL A 43 -2.918 2.718 -4.588 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.992 2.951 -2.474 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.943 0.844 -2.288 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.515 0.560 -1.806 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.824 1.165 -3.451 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.262 2.281 -2.183 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.963 1.075 0.026 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.848 2.832 -0.231 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.442 2.043 -0.183 1.00 10.00 H new ATOM 652 N THR A 44 -3.914 5.042 -1.624 1.00 10.00 N ATOM 653 CA THR A 44 -3.396 6.317 -1.146 1.00 10.00 C ATOM 654 C THR A 44 -2.810 6.095 0.253 1.00 10.00 C ATOM 655 O THR A 44 -3.564 5.999 1.220 1.00 10.00 O ATOM 656 CB THR A 44 -4.542 7.345 -1.131 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.325 7.265 -2.315 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.031 8.770 -0.890 1.00 10.00 C ATOM 0 H THR A 44 -4.848 4.835 -1.271 1.00 10.00 H new ATOM 0 HA THR A 44 -2.611 6.702 -1.796 1.00 10.00 H new ATOM 0 HB THR A 44 -5.188 7.093 -0.290 1.00 10.00 H new ATOM 0 HG1 THR A 44 -4.913 7.811 -3.017 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.873 9.463 -0.887 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.520 8.816 0.072 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.336 9.046 -1.683 1.00 10.00 H new ATOM 666 N VAL A 45 -1.486 5.972 0.373 1.00 10.00 N ATOM 667 CA VAL A 45 -0.812 5.746 1.643 1.00 10.00 C ATOM 668 C VAL A 45 -0.370 7.084 2.216 1.00 10.00 C ATOM 669 O VAL A 45 0.265 7.874 1.522 1.00 10.00 O ATOM 670 CB VAL A 45 0.372 4.792 1.445 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.131 4.542 2.756 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.163 3.467 0.894 1.00 10.00 C ATOM 0 H VAL A 45 -0.849 6.028 -0.422 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.493 5.277 2.353 1.00 10.00 H new ATOM 0 HB VAL A 45 1.075 5.247 0.747 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.962 3.861 2.571 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.515 5.487 3.140 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.456 4.100 3.489 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.665 2.774 0.746 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.873 3.039 1.602 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.663 3.644 -0.058 1.00 10.00 H new ATOM 682 N GLU A 46 -0.704 7.323 3.484 1.00 10.00 N ATOM 683 CA GLU A 46 -0.307 8.515 4.215 1.00 10.00 C ATOM 684 C GLU A 46 0.617 8.095 5.359 1.00 10.00 C ATOM 685 O GLU A 46 0.277 7.195 6.132 1.00 10.00 O ATOM 686 CB GLU A 46 -1.569 9.241 4.692 1.00 10.00 C ATOM 687 CG GLU A 46 -1.421 10.767 4.776 1.00 10.00 C ATOM 688 CD GLU A 46 -2.766 11.490 4.814 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.802 10.789 4.871 1.00 10.00 O ATOM 690 OE2 GLU A 46 -2.734 12.738 4.744 1.00 10.00 O ATOM 0 H GLU A 46 -1.269 6.679 4.038 1.00 10.00 H new ATOM 0 HA GLU A 46 0.248 9.214 3.589 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.390 9.003 4.015 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.845 8.859 5.675 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.850 11.024 5.668 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -0.848 11.120 3.919 1.00 10.00 H new ATOM 697 N TYR A 47 1.797 8.712 5.455 1.00 10.00 N ATOM 698 CA TYR A 47 2.799 8.408 6.470 1.00 10.00 C ATOM 699 C TYR A 47 3.760 9.584 6.575 1.00 10.00 C ATOM 700 O TYR A 47 3.582 10.576 5.879 1.00 10.00 O ATOM 701 CB TYR A 47 3.541 7.099 6.159 1.00 10.00 C ATOM 702 CG TYR A 47 4.511 7.137 4.990 1.00 10.00 C ATOM 703 CD1 TYR A 47 4.048 7.337 3.675 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.889 6.952 5.221 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.964 7.419 2.613 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.799 7.011 4.155 1.00 10.00 C ATOM 707 CZ TYR A 47 6.341 7.287 2.857 1.00 10.00 C ATOM 708 OH TYR A 47 7.239 7.535 1.867 1.00 10.00 O ATOM 0 H TYR A 47 2.085 9.452 4.814 1.00 10.00 H new ATOM 0 HA TYR A 47 2.305 8.259 7.430 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.091 6.797 7.050 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.800 6.324 5.964 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.989 7.427 3.483 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.246 6.764 6.223 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.609 7.584 1.607 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.851 6.844 4.333 1.00 10.00 H new ATOM 0 HH TYR A 47 7.472 8.487 1.867 1.00 10.00 H new ATOM 718 N ASN A 48 4.767 9.502 7.443 1.00 10.00 N ATOM 719 CA ASN A 48 5.828 10.483 7.548 1.00 10.00 C ATOM 720 C ASN A 48 7.138 9.811 7.127 1.00 10.00 C ATOM 721 O ASN A 48 7.408 8.693 7.569 1.00 10.00 O ATOM 722 CB ASN A 48 5.915 11.010 8.981 1.00 10.00 C ATOM 723 CG ASN A 48 6.140 9.910 10.011 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.269 9.633 10.399 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.053 9.281 10.445 1.00 10.00 N ATOM 0 H ASN A 48 4.863 8.732 8.104 1.00 10.00 H new ATOM 0 HA ASN A 48 5.629 11.334 6.897 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.728 11.733 9.047 1.00 10.00 H new ATOM 0 HB3 ASN A 48 4.995 11.542 9.222 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.137 8.531 11.131 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.134 9.548 10.092 1.00 10.00 H new ATOM 732 N PRO A 49 7.966 10.461 6.297 1.00 10.00 N ATOM 733 CA PRO A 49 9.216 9.901 5.807 1.00 10.00 C ATOM 734 C PRO A 49 10.300 10.024 6.884 1.00 10.00 C ATOM 735 O PRO A 49 11.341 10.647 6.674 1.00 10.00 O ATOM 736 CB PRO A 49 9.531 10.723 4.553 1.00 10.00 C ATOM 737 CG PRO A 49 9.007 12.108 4.937 1.00 10.00 C ATOM 738 CD PRO A 49 7.732 11.768 5.707 1.00 10.00 C ATOM 0 HA PRO A 49 9.159 8.838 5.573 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.598 10.738 4.333 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.029 10.328 3.670 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.720 12.657 5.552 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.802 12.723 4.061 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.528 12.514 6.475 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.867 11.749 5.044 1.00 10.00 H new ATOM 746 N LYS A 50 10.046 9.452 8.064 1.00 10.00 N ATOM 747 CA LYS A 50 10.965 9.494 9.194 1.00 10.00 C ATOM 748 C LYS A 50 10.925 8.195 10.005 1.00 10.00 C ATOM 749 O LYS A 50 11.554 8.127 11.057 1.00 10.00 O ATOM 750 CB LYS A 50 10.624 10.717 10.064 1.00 10.00 C ATOM 751 CG LYS A 50 11.869 11.374 10.673 1.00 10.00 C ATOM 752 CD LYS A 50 12.591 12.240 9.625 1.00 10.00 C ATOM 753 CE LYS A 50 13.771 13.017 10.226 1.00 10.00 C ATOM 754 NZ LYS A 50 14.903 12.135 10.578 1.00 10.00 N ATOM 0 H LYS A 50 9.185 8.942 8.259 1.00 10.00 H new ATOM 0 HA LYS A 50 11.986 9.589 8.823 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.090 11.450 9.460 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.950 10.412 10.865 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.582 11.989 11.526 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.546 10.606 11.047 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.951 11.604 8.817 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.882 12.942 9.186 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.108 13.770 9.513 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.437 13.549 11.117 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.675 12.705 10.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.591 11.432 11.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 15.241 11.647 9.724 1.00 10.00 H new ATOM 768 N GLU A 51 10.205 7.187 9.503 1.00 10.00 N ATOM 769 CA GLU A 51 9.957 5.907 10.148 1.00 10.00 C ATOM 770 C GLU A 51 10.016 4.842 9.056 1.00 10.00 C ATOM 771 O GLU A 51 10.938 4.029 9.012 1.00 10.00 O ATOM 772 CB GLU A 51 8.569 5.947 10.812 1.00 10.00 C ATOM 773 CG GLU A 51 8.625 6.490 12.247 1.00 10.00 C ATOM 774 CD GLU A 51 8.950 5.380 13.239 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.048 4.541 13.446 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.086 5.388 13.759 1.00 10.00 O ATOM 0 H GLU A 51 9.759 7.252 8.588 1.00 10.00 H new ATOM 0 HA GLU A 51 10.693 5.686 10.921 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.901 6.569 10.216 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.144 4.943 10.822 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.379 7.274 12.314 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.669 6.945 12.505 1.00 10.00 H new ATOM 783 N ALA A 52 9.042 4.882 8.143 1.00 10.00 N ATOM 784 CA ALA A 52 8.940 3.988 7.009 1.00 10.00 C ATOM 785 C ALA A 52 9.464 4.676 5.753 1.00 10.00 C ATOM 786 O ALA A 52 9.807 5.858 5.767 1.00 10.00 O ATOM 787 CB ALA A 52 7.471 3.609 6.839 1.00 10.00 C ATOM 0 H ALA A 52 8.283 5.563 8.183 1.00 10.00 H new ATOM 0 HA ALA A 52 9.539 3.092 7.175 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.365 2.934 5.989 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.116 3.113 7.743 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.881 4.509 6.663 1.00 10.00 H new ATOM 793 N SER A 53 9.500 3.920 4.659 1.00 10.00 N ATOM 794 CA SER A 53 9.853 4.390 3.336 1.00 10.00 C ATOM 795 C SER A 53 9.011 3.657 2.291 1.00 10.00 C ATOM 796 O SER A 53 8.715 2.470 2.439 1.00 10.00 O ATOM 797 CB SER A 53 11.348 4.173 3.100 1.00 10.00 C ATOM 798 OG SER A 53 11.799 2.955 3.659 1.00 10.00 O ATOM 0 H SER A 53 9.274 2.926 4.678 1.00 10.00 H new ATOM 0 HA SER A 53 9.646 5.457 3.250 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.551 4.178 2.029 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.908 5.001 3.534 1.00 10.00 H new ATOM 0 HG SER A 53 12.758 2.851 3.486 1.00 10.00 H new ATOM 804 N VAL A 54 8.646 4.376 1.227 1.00 10.00 N ATOM 805 CA VAL A 54 7.841 3.855 0.129 1.00 10.00 C ATOM 806 C VAL A 54 8.392 2.520 -0.387 1.00 10.00 C ATOM 807 O VAL A 54 7.648 1.552 -0.515 1.00 10.00 O ATOM 808 CB VAL A 54 7.663 4.939 -0.952 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.982 5.452 -1.549 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.738 4.471 -2.082 1.00 10.00 C ATOM 0 H VAL A 54 8.908 5.354 1.106 1.00 10.00 H new ATOM 0 HA VAL A 54 6.840 3.616 0.487 1.00 10.00 H new ATOM 0 HB VAL A 54 7.203 5.776 -0.426 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.770 6.212 -2.301 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.595 5.885 -0.759 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.519 4.624 -2.011 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.639 5.264 -2.823 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.160 3.584 -2.554 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.756 4.232 -1.673 1.00 10.00 H new ATOM 820 N SER A 55 9.697 2.434 -0.647 1.00 10.00 N ATOM 821 CA SER A 55 10.330 1.219 -1.141 1.00 10.00 C ATOM 822 C SER A 55 10.162 0.024 -0.194 1.00 10.00 C ATOM 823 O SER A 55 10.000 -1.105 -0.661 1.00 10.00 O ATOM 824 CB SER A 55 11.808 1.506 -1.406 1.00 10.00 C ATOM 825 OG SER A 55 11.906 2.665 -2.216 1.00 10.00 O ATOM 0 H SER A 55 10.345 3.211 -0.519 1.00 10.00 H new ATOM 0 HA SER A 55 9.831 0.932 -2.066 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.339 1.656 -0.466 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.275 0.656 -1.904 1.00 10.00 H new ATOM 0 HG SER A 55 12.850 2.862 -2.393 1.00 10.00 H new ATOM 831 N ASP A 56 10.209 0.257 1.121 1.00 10.00 N ATOM 832 CA ASP A 56 10.099 -0.820 2.095 1.00 10.00 C ATOM 833 C ASP A 56 8.694 -1.402 2.010 1.00 10.00 C ATOM 834 O ASP A 56 8.503 -2.586 1.718 1.00 10.00 O ATOM 835 CB ASP A 56 10.406 -0.289 3.499 1.00 10.00 C ATOM 836 CG ASP A 56 10.216 -1.386 4.539 1.00 10.00 C ATOM 837 OD1 ASP A 56 9.044 -1.610 4.911 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.242 -1.982 4.928 1.00 10.00 O ATOM 0 H ASP A 56 10.323 1.184 1.530 1.00 10.00 H new ATOM 0 HA ASP A 56 10.822 -1.607 1.881 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.430 0.083 3.537 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.752 0.553 3.727 1.00 10.00 H new ATOM 843 N LEU A 57 7.694 -0.531 2.176 1.00 10.00 N ATOM 844 CA LEU A 57 6.310 -0.961 2.092 1.00 10.00 C ATOM 845 C LEU A 57 6.012 -1.554 0.712 1.00 10.00 C ATOM 846 O LEU A 57 5.220 -2.488 0.604 1.00 10.00 O ATOM 847 CB LEU A 57 5.336 0.125 2.576 1.00 10.00 C ATOM 848 CG LEU A 57 5.282 1.413 1.748 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.438 1.281 0.476 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.675 2.546 2.586 1.00 10.00 C ATOM 0 H LEU A 57 7.822 0.463 2.367 1.00 10.00 H new ATOM 0 HA LEU A 57 6.144 -1.778 2.794 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.334 -0.304 2.606 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.600 0.389 3.600 1.00 10.00 H new ATOM 0 HG LEU A 57 6.311 1.626 1.458 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.442 2.228 -0.063 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.857 0.500 -0.159 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.414 1.020 0.744 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.639 3.459 1.992 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.665 2.272 2.891 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.289 2.713 3.471 1.00 10.00 H new ATOM 862 N LYS A 58 6.677 -1.061 -0.343 1.00 10.00 N ATOM 863 CA LYS A 58 6.582 -1.651 -1.668 1.00 10.00 C ATOM 864 C LYS A 58 6.911 -3.138 -1.565 1.00 10.00 C ATOM 865 O LYS A 58 6.089 -3.974 -1.937 1.00 10.00 O ATOM 866 CB LYS A 58 7.495 -0.916 -2.672 1.00 10.00 C ATOM 867 CG LYS A 58 7.035 -1.010 -4.129 1.00 10.00 C ATOM 868 CD LYS A 58 7.132 -2.417 -4.738 1.00 10.00 C ATOM 869 CE LYS A 58 8.158 -2.488 -5.873 1.00 10.00 C ATOM 870 NZ LYS A 58 9.531 -2.236 -5.383 1.00 10.00 N ATOM 0 H LYS A 58 7.290 -0.247 -0.293 1.00 10.00 H new ATOM 0 HA LYS A 58 5.567 -1.544 -2.050 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.554 0.135 -2.389 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.503 -1.324 -2.595 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.001 -0.671 -4.193 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.633 -0.325 -4.731 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.404 -3.130 -3.960 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.154 -2.716 -5.116 1.00 10.00 H new ATOM 0 HE2 LYS A 58 8.114 -3.470 -6.343 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.905 -1.756 -6.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.199 -2.292 -6.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.579 -1.289 -4.956 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.781 -2.950 -4.670 1.00 10.00 H new ATOM 884 N GLU A 59 8.110 -3.475 -1.080 1.00 10.00 N ATOM 885 CA GLU A 59 8.508 -4.872 -0.963 1.00 10.00 C ATOM 886 C GLU A 59 7.555 -5.633 -0.030 1.00 10.00 C ATOM 887 O GLU A 59 7.288 -6.814 -0.223 1.00 10.00 O ATOM 888 CB GLU A 59 9.960 -4.996 -0.483 1.00 10.00 C ATOM 889 CG GLU A 59 10.561 -6.307 -1.016 1.00 10.00 C ATOM 890 CD GLU A 59 11.609 -6.879 -0.079 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.724 -6.322 -0.044 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.261 -7.867 0.605 1.00 10.00 O ATOM 0 H GLU A 59 8.812 -2.804 -0.766 1.00 10.00 H new ATOM 0 HA GLU A 59 8.446 -5.323 -1.954 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.545 -4.146 -0.833 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.998 -4.982 0.606 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.765 -7.038 -1.158 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.009 -6.129 -1.994 1.00 10.00 H new ATOM 899 N ALA A 60 7.031 -4.955 0.989 1.00 10.00 N ATOM 900 CA ALA A 60 6.105 -5.536 1.951 1.00 10.00 C ATOM 901 C ALA A 60 4.793 -5.943 1.276 1.00 10.00 C ATOM 902 O ALA A 60 4.230 -6.986 1.616 1.00 10.00 O ATOM 903 CB ALA A 60 5.851 -4.578 3.116 1.00 10.00 C ATOM 0 H ALA A 60 7.242 -3.974 1.170 1.00 10.00 H new ATOM 0 HA ALA A 60 6.565 -6.438 2.355 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.156 -5.037 3.819 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.792 -4.364 3.623 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.424 -3.650 2.737 1.00 10.00 H new ATOM 909 N VAL A 61 4.307 -5.130 0.329 1.00 10.00 N ATOM 910 CA VAL A 61 3.167 -5.483 -0.506 1.00 10.00 C ATOM 911 C VAL A 61 3.574 -6.585 -1.481 1.00 10.00 C ATOM 912 O VAL A 61 2.853 -7.570 -1.614 1.00 10.00 O ATOM 913 CB VAL A 61 2.608 -4.236 -1.210 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.614 -4.636 -2.310 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.904 -3.352 -0.170 1.00 10.00 C ATOM 0 H VAL A 61 4.698 -4.210 0.125 1.00 10.00 H new ATOM 0 HA VAL A 61 2.358 -5.874 0.111 1.00 10.00 H new ATOM 0 HB VAL A 61 3.428 -3.688 -1.673 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.229 -3.740 -2.796 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.119 -5.261 -3.047 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.787 -5.192 -1.868 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.503 -2.464 -0.659 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.090 -3.911 0.291 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.619 -3.053 0.597 1.00 10.00 H new ATOM 925 N ASP A 62 4.731 -6.448 -2.129 1.00 10.00 N ATOM 926 CA ASP A 62 5.241 -7.462 -3.044 1.00 10.00 C ATOM 927 C ASP A 62 5.257 -8.834 -2.364 1.00 10.00 C ATOM 928 O ASP A 62 4.820 -9.830 -2.936 1.00 10.00 O ATOM 929 CB ASP A 62 6.627 -7.050 -3.552 1.00 10.00 C ATOM 930 CG ASP A 62 6.926 -7.687 -4.901 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.319 -7.212 -5.885 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.788 -8.591 -4.940 1.00 10.00 O ATOM 0 H ASP A 62 5.337 -5.633 -2.033 1.00 10.00 H new ATOM 0 HA ASP A 62 4.581 -7.542 -3.908 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.678 -5.965 -3.639 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.386 -7.348 -2.829 1.00 10.00 H new ATOM 937 N LYS A 63 5.667 -8.866 -1.090 1.00 10.00 N ATOM 938 CA LYS A 63 5.679 -10.049 -0.247 1.00 10.00 C ATOM 939 C LYS A 63 4.311 -10.750 -0.132 1.00 10.00 C ATOM 940 O LYS A 63 4.276 -11.932 0.206 1.00 10.00 O ATOM 941 CB LYS A 63 6.235 -9.661 1.136 1.00 10.00 C ATOM 942 CG LYS A 63 7.696 -10.094 1.321 1.00 10.00 C ATOM 943 CD LYS A 63 8.221 -9.638 2.693 1.00 10.00 C ATOM 944 CE LYS A 63 9.616 -10.201 3.013 1.00 10.00 C ATOM 945 NZ LYS A 63 10.715 -9.318 2.568 1.00 10.00 N ATOM 0 H LYS A 63 6.010 -8.035 -0.609 1.00 10.00 H new ATOM 0 HA LYS A 63 6.325 -10.788 -0.721 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.160 -8.581 1.265 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.622 -10.119 1.913 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.774 -11.178 1.237 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.311 -9.667 0.529 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.259 -8.549 2.719 1.00 10.00 H new ATOM 0 HD3 LYS A 63 7.521 -9.951 3.468 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.699 -10.360 4.088 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.726 -11.175 2.537 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.582 -9.878 2.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.459 -8.873 1.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.878 -8.580 3.282 1.00 10.00 H new ATOM 959 N LEU A 64 3.191 -10.059 -0.374 1.00 10.00 N ATOM 960 CA LEU A 64 1.867 -10.681 -0.412 1.00 10.00 C ATOM 961 C LEU A 64 1.603 -11.377 -1.754 1.00 10.00 C ATOM 962 O LEU A 64 0.770 -12.280 -1.799 1.00 10.00 O ATOM 963 CB LEU A 64 0.772 -9.648 -0.112 1.00 10.00 C ATOM 964 CG LEU A 64 0.652 -9.294 1.379 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.025 -7.929 1.537 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.185 -10.347 2.121 1.00 10.00 C ATOM 0 H LEU A 64 3.179 -9.054 -0.549 1.00 10.00 H new ATOM 0 HA LEU A 64 1.844 -11.446 0.364 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.977 -8.739 -0.677 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.185 -10.033 -0.464 1.00 10.00 H new ATOM 0 HG LEU A 64 1.656 -9.267 1.803 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.107 -7.684 2.596 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.570 -7.167 1.033 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.020 -7.963 1.094 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.258 -10.078 3.175 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.184 -10.389 1.687 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.292 -11.323 2.028 1.00 10.00 H new ATOM 978 N GLY A 65 2.286 -10.983 -2.836 1.00 10.00 N ATOM 979 CA GLY A 65 2.233 -11.667 -4.125 1.00 10.00 C ATOM 980 C GLY A 65 1.992 -10.689 -5.273 1.00 10.00 C ATOM 981 O GLY A 65 2.744 -10.663 -6.245 1.00 10.00 O ATOM 0 H GLY A 65 2.899 -10.168 -2.836 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.168 -12.201 -4.292 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.438 -12.413 -4.109 1.00 10.00 H new ATOM 985 N TYR A 66 0.915 -9.908 -5.176 1.00 10.00 N ATOM 986 CA TYR A 66 0.572 -8.890 -6.168 1.00 10.00 C ATOM 987 C TYR A 66 1.616 -7.771 -6.188 1.00 10.00 C ATOM 988 O TYR A 66 2.329 -7.566 -5.207 1.00 10.00 O ATOM 989 CB TYR A 66 -0.848 -8.348 -5.931 1.00 10.00 C ATOM 990 CG TYR A 66 -1.337 -8.381 -4.498 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.645 -7.670 -3.500 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.410 -9.221 -4.142 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.073 -7.747 -2.165 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.831 -9.291 -2.804 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.216 -8.487 -1.836 1.00 10.00 C ATOM 996 OH TYR A 66 -2.719 -8.425 -0.576 1.00 10.00 O ATOM 0 H TYR A 66 0.253 -9.965 -4.402 1.00 10.00 H new ATOM 0 HA TYR A 66 0.580 -9.356 -7.153 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.887 -7.318 -6.284 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.542 -8.922 -6.545 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.212 -7.067 -3.760 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.908 -9.811 -4.897 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.520 -7.235 -1.391 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.628 -9.964 -2.522 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.575 -7.949 -0.589 1.00 10.00 H new ATOM 1006 N LYS A 67 1.703 -7.048 -7.309 1.00 10.00 N ATOM 1007 CA LYS A 67 2.723 -6.025 -7.525 1.00 10.00 C ATOM 1008 C LYS A 67 2.152 -4.638 -7.264 1.00 10.00 C ATOM 1009 O LYS A 67 0.938 -4.449 -7.246 1.00 10.00 O ATOM 1010 CB LYS A 67 3.283 -6.132 -8.951 1.00 10.00 C ATOM 1011 CG LYS A 67 4.685 -6.746 -8.975 1.00 10.00 C ATOM 1012 CD LYS A 67 5.786 -5.715 -8.668 1.00 10.00 C ATOM 1013 CE LYS A 67 7.217 -6.280 -8.754 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.432 -7.157 -9.920 1.00 10.00 N ATOM 0 H LYS A 67 1.062 -7.159 -8.095 1.00 10.00 H new ATOM 0 HA LYS A 67 3.540 -6.188 -6.822 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.612 -6.739 -9.559 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.314 -5.141 -9.403 1.00 10.00 H new ATOM 0 HG2 LYS A 67 4.736 -7.555 -8.246 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.868 -7.187 -9.955 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.693 -4.882 -9.364 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.625 -5.314 -7.667 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.925 -5.452 -8.796 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.434 -6.839 -7.844 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.439 -7.407 -9.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.867 -8.023 -9.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 7.142 -6.660 -10.786 1.00 10.00 H new ATOM 1028 N LEU A 68 3.054 -3.669 -7.076 1.00 10.00 N ATOM 1029 CA LEU A 68 2.748 -2.295 -6.728 1.00 10.00 C ATOM 1030 C LEU A 68 3.825 -1.414 -7.356 1.00 10.00 C ATOM 1031 O LEU A 68 4.954 -1.870 -7.565 1.00 10.00 O ATOM 1032 CB LEU A 68 2.694 -2.157 -5.199 1.00 10.00 C ATOM 1033 CG LEU A 68 2.214 -0.806 -4.642 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.299 -1.030 -3.434 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.413 0.013 -4.152 1.00 10.00 C ATOM 0 H LEU A 68 4.056 -3.837 -7.168 1.00 10.00 H new ATOM 0 HA LEU A 68 1.775 -1.985 -7.108 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.039 -2.937 -4.810 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.691 -2.352 -4.805 1.00 10.00 H new ATOM 0 HG LEU A 68 1.684 -0.283 -5.438 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.965 -0.067 -3.047 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.434 -1.619 -3.737 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.847 -1.563 -2.657 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.065 0.968 -3.759 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.931 -0.536 -3.366 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.097 0.190 -4.982 1.00 10.00 H new ATOM 1047 N LYS A 69 3.469 -0.171 -7.664 1.00 10.00 N ATOM 1048 CA LYS A 69 4.334 0.850 -8.239 1.00 10.00 C ATOM 1049 C LYS A 69 3.899 2.203 -7.688 1.00 10.00 C ATOM 1050 O LYS A 69 2.773 2.343 -7.223 1.00 10.00 O ATOM 1051 CB LYS A 69 4.196 0.902 -9.765 1.00 10.00 C ATOM 1052 CG LYS A 69 4.622 -0.374 -10.497 1.00 10.00 C ATOM 1053 CD LYS A 69 4.607 -0.061 -12.003 1.00 10.00 C ATOM 1054 CE LYS A 69 4.844 -1.288 -12.891 1.00 10.00 C ATOM 1055 NZ LYS A 69 6.220 -1.808 -12.772 1.00 10.00 N ATOM 0 H LYS A 69 2.519 0.168 -7.511 1.00 10.00 H new ATOM 0 HA LYS A 69 5.367 0.615 -7.984 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.157 1.116 -10.014 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.791 1.734 -10.141 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.617 -0.686 -10.179 1.00 10.00 H new ATOM 0 HG3 LYS A 69 3.942 -1.194 -10.268 1.00 10.00 H new ATOM 0 HD2 LYS A 69 3.647 0.384 -12.263 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.372 0.685 -12.218 1.00 10.00 H new ATOM 0 HE2 LYS A 69 4.137 -2.072 -12.620 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.646 -1.025 -13.930 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.333 -2.637 -13.390 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.896 -1.070 -13.056 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.403 -2.084 -11.786 1.00 10.00 H new ATOM 1069 N LEU A 70 4.775 3.203 -7.776 1.00 10.00 N ATOM 1070 CA LEU A 70 4.422 4.580 -7.454 1.00 10.00 C ATOM 1071 C LEU A 70 3.445 5.133 -8.482 1.00 10.00 C ATOM 1072 O LEU A 70 3.477 4.752 -9.651 1.00 10.00 O ATOM 1073 CB LEU A 70 5.685 5.448 -7.310 1.00 10.00 C ATOM 1074 CG LEU A 70 5.488 6.980 -7.340 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.615 7.657 -6.552 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.519 7.556 -8.767 1.00 10.00 C ATOM 0 H LEU A 70 5.744 3.080 -8.071 1.00 10.00 H new ATOM 0 HA LEU A 70 3.916 4.601 -6.489 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.171 5.187 -6.370 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.374 5.179 -8.110 1.00 10.00 H new ATOM 0 HG LEU A 70 4.508 7.175 -6.903 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.476 8.738 -6.573 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.597 7.309 -5.519 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.575 7.406 -7.002 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.376 8.636 -8.727 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.482 7.335 -9.228 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.722 7.106 -9.358 1.00 10.00 H new ATOM 1088 N LYS A 71 2.609 6.061 -8.018 1.00 10.00 N ATOM 1089 CA LYS A 71 1.726 6.870 -8.841 1.00 10.00 C ATOM 1090 C LYS A 71 1.868 8.349 -8.455 1.00 10.00 C ATOM 1091 O LYS A 71 2.114 9.186 -9.320 1.00 10.00 O ATOM 1092 CB LYS A 71 0.300 6.334 -8.691 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.660 6.824 -9.777 1.00 10.00 C ATOM 1094 CD LYS A 71 -2.048 6.315 -9.378 1.00 10.00 C ATOM 1095 CE LYS A 71 -3.128 6.597 -10.422 1.00 10.00 C ATOM 1096 NZ LYS A 71 -4.457 6.234 -9.886 1.00 10.00 N ATOM 0 H LYS A 71 2.529 6.274 -7.024 1.00 10.00 H new ATOM 0 HA LYS A 71 1.993 6.805 -9.896 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.327 5.244 -8.708 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.088 6.628 -7.716 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.649 7.912 -9.845 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.370 6.440 -10.755 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.995 5.240 -9.204 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.338 6.777 -8.434 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.113 7.652 -10.697 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.925 6.028 -11.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -5.077 5.937 -10.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -4.356 5.452 -9.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.874 7.057 -9.406 1.00 10.00 H new ATOM 1110 N GLY A 72 1.758 8.656 -7.158 1.00 10.00 N ATOM 1111 CA GLY A 72 1.834 10.011 -6.623 1.00 10.00 C ATOM 1112 C GLY A 72 0.428 10.598 -6.506 1.00 10.00 C ATOM 1113 O GLY A 72 -0.344 10.515 -7.458 1.00 10.00 O ATOM 0 H GLY A 72 1.610 7.949 -6.438 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.316 10.000 -5.646 1.00 10.00 H new ATOM 0 HA3 GLY A 72 2.446 10.635 -7.274 1.00 10.00 H new ATOM 1117 N GLU A 73 0.085 11.141 -5.332 1.00 10.00 N ATOM 1118 CA GLU A 73 -1.249 11.665 -5.057 1.00 10.00 C ATOM 1119 C GLU A 73 -1.319 13.097 -5.575 1.00 10.00 C ATOM 1120 O GLU A 73 -2.047 13.384 -6.523 1.00 10.00 O ATOM 1121 CB GLU A 73 -1.550 11.538 -3.548 1.00 10.00 C ATOM 1122 CG GLU A 73 -2.914 12.133 -3.132 1.00 10.00 C ATOM 1123 CD GLU A 73 -2.844 13.462 -2.370 1.00 10.00 C ATOM 1124 OE1 GLU A 73 -1.739 14.039 -2.278 1.00 10.00 O ATOM 1125 OE2 GLU A 73 -3.902 13.869 -1.841 1.00 10.00 O ATOM 0 H GLU A 73 0.730 11.227 -4.547 1.00 10.00 H new ATOM 0 HA GLU A 73 -2.021 11.094 -5.572 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -1.523 10.485 -3.269 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.760 12.037 -2.986 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -3.517 12.278 -4.028 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -3.436 11.404 -2.512 1.00 10.00 H new ATOM 1132 N GLN A 74 -0.528 13.975 -4.961 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.474 15.405 -5.217 1.00 10.00 C ATOM 1134 C GLN A 74 0.521 15.979 -4.225 1.00 10.00 C ATOM 1135 O GLN A 74 1.367 16.784 -4.621 1.00 10.00 O ATOM 1136 CB GLN A 74 -1.840 16.087 -5.029 1.00 10.00 C ATOM 1137 CG GLN A 74 -1.833 17.607 -5.288 1.00 10.00 C ATOM 1138 CD GLN A 74 -1.907 17.969 -6.770 1.00 10.00 C ATOM 1139 OE1 GLN A 74 -1.378 17.266 -7.625 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -2.551 19.083 -7.103 1.00 10.00 N ATOM 0 H GLN A 74 0.126 13.688 -4.233 1.00 10.00 H new ATOM 0 HA GLN A 74 -0.181 15.581 -6.252 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -2.561 15.620 -5.699 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -2.186 15.905 -4.012 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -2.677 18.061 -4.768 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -0.927 18.037 -4.861 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -2.985 19.656 -6.380 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -2.611 19.364 -8.082 1.00 10.00 H new ATOM 1149 N ASP A 75 0.389 15.591 -2.945 1.00 10.00 N ATOM 1150 CA ASP A 75 1.342 15.832 -1.873 1.00 10.00 C ATOM 1151 C ASP A 75 1.208 17.278 -1.391 1.00 10.00 C ATOM 1152 O ASP A 75 0.894 17.538 -0.232 1.00 10.00 O ATOM 1153 CB ASP A 75 2.786 15.477 -2.291 1.00 10.00 C ATOM 1154 CG ASP A 75 2.994 14.049 -2.816 1.00 10.00 C ATOM 1155 OD1 ASP A 75 2.137 13.550 -3.589 1.00 10.00 O ATOM 1156 OD2 ASP A 75 4.070 13.506 -2.485 1.00 10.00 O ATOM 0 H ASP A 75 -0.431 15.075 -2.624 1.00 10.00 H new ATOM 0 HA ASP A 75 1.111 15.170 -1.039 1.00 10.00 H new ATOM 0 HB2 ASP A 75 3.104 16.178 -3.062 1.00 10.00 H new ATOM 0 HB3 ASP A 75 3.441 15.628 -1.433 1.00 10.00 H new ATOM 1161 N SER A 76 1.431 18.215 -2.316 1.00 10.00 N ATOM 1162 CA SER A 76 1.360 19.657 -2.156 1.00 10.00 C ATOM 1163 C SER A 76 0.090 20.095 -1.411 1.00 10.00 C ATOM 1164 O SER A 76 0.187 20.781 -0.394 1.00 10.00 O ATOM 1165 CB SER A 76 1.479 20.295 -3.550 1.00 10.00 C ATOM 1166 OG SER A 76 1.675 21.692 -3.459 1.00 10.00 O ATOM 0 H SER A 76 1.686 17.957 -3.269 1.00 10.00 H new ATOM 0 HA SER A 76 2.184 20.001 -1.531 1.00 10.00 H new ATOM 0 HB2 SER A 76 2.311 19.843 -4.090 1.00 10.00 H new ATOM 0 HB3 SER A 76 0.576 20.089 -4.125 1.00 10.00 H new ATOM 0 HG SER A 76 1.749 22.071 -4.360 1.00 10.00 H new ATOM 1172 N ILE A 77 -1.094 19.708 -1.909 1.00 10.00 N ATOM 1173 CA ILE A 77 -2.373 19.994 -1.261 1.00 10.00 C ATOM 1174 C ILE A 77 -3.205 18.708 -1.190 1.00 10.00 C ATOM 1175 O ILE A 77 -3.220 18.039 -0.154 1.00 10.00 O ATOM 1176 CB ILE A 77 -3.127 21.163 -1.949 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -2.310 22.469 -1.994 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -4.437 21.464 -1.203 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -1.605 22.659 -3.339 1.00 10.00 C ATOM 0 H ILE A 77 -1.186 19.184 -2.779 1.00 10.00 H new ATOM 0 HA ILE A 77 -2.187 20.335 -0.243 1.00 10.00 H new ATOM 0 HB ILE A 77 -3.313 20.833 -2.971 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -2.970 23.316 -1.808 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -1.569 22.461 -1.194 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -4.956 22.286 -1.696 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -5.072 20.578 -1.210 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -4.214 21.742 -0.173 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -1.041 23.592 -3.326 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -0.924 21.826 -3.514 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -2.347 22.695 -4.137 1.00 10.00 H new ATOM 1191 N GLU A 78 -3.936 18.387 -2.262 1.00 10.00 N ATOM 1192 CA GLU A 78 -4.944 17.333 -2.296 1.00 10.00 C ATOM 1193 C GLU A 78 -5.336 17.113 -3.766 1.00 10.00 C ATOM 1194 O GLU A 78 -4.612 16.447 -4.493 1.00 10.00 O ATOM 1195 CB GLU A 78 -6.112 17.739 -1.375 1.00 10.00 C ATOM 1196 CG GLU A 78 -7.299 16.760 -1.380 1.00 10.00 C ATOM 1197 CD GLU A 78 -8.605 17.463 -1.737 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -8.561 18.260 -2.703 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -9.605 17.211 -1.034 1.00 10.00 O ATOM 0 H GLU A 78 -3.837 18.870 -3.155 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.580 16.379 -1.916 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.738 17.832 -0.355 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.469 18.724 -1.675 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -7.108 15.960 -2.095 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -7.392 16.295 -0.399 1.00 10.00 H new ATOM 1206 N GLY A 79 -6.435 17.699 -4.243 1.00 10.00 N ATOM 1207 CA GLY A 79 -6.809 17.656 -5.654 1.00 10.00 C ATOM 1208 C GLY A 79 -6.370 18.918 -6.397 1.00 10.00 C ATOM 1209 O GLY A 79 -6.081 18.870 -7.591 1.00 10.00 O ATOM 0 H GLY A 79 -7.091 18.218 -3.659 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -6.357 16.782 -6.123 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -7.889 17.541 -5.740 1.00 10.00 H new ATOM 1213 N ARG A 80 -6.385 20.055 -5.697 1.00 10.00 N ATOM 1214 CA ARG A 80 -6.105 21.374 -6.249 1.00 10.00 C ATOM 1215 C ARG A 80 -4.595 21.654 -6.213 1.00 10.00 C ATOM 1216 O ARG A 80 -4.188 22.666 -6.826 1.00 10.00 O ATOM 1217 CB ARG A 80 -6.907 22.407 -5.435 1.00 10.00 C ATOM 1218 CG ARG A 80 -7.521 23.553 -6.252 1.00 10.00 C ATOM 1219 CD ARG A 80 -6.472 24.499 -6.841 1.00 10.00 C ATOM 1220 NE ARG A 80 -7.042 25.831 -7.096 1.00 10.00 N ATOM 1221 CZ ARG A 80 -6.317 26.904 -7.443 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -5.025 26.752 -7.757 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -6.883 28.117 -7.465 1.00 10.00 N ATOM 1224 OXT ARG A 80 -3.871 20.860 -5.567 1.00 10.00 O ATOM 0 H ARG A 80 -6.599 20.079 -4.700 1.00 10.00 H new ATOM 0 HA ARG A 80 -6.408 21.433 -7.294 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -7.708 21.888 -4.909 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -6.252 22.834 -4.676 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -8.119 23.134 -7.061 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -8.199 24.122 -5.616 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -5.630 24.586 -6.154 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -6.083 24.083 -7.770 1.00 10.00 H new ATOM 0 HE ARG A 80 -8.051 25.945 -7.003 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.599 25.825 -7.731 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -4.466 27.563 -8.022 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -7.867 28.225 -7.218 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -6.331 28.933 -7.729 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -6.942 -10.987 -5.761 1.00 10.00 CU