USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 36 MET CE :methyl 171:sc= 0 (180deg=-0.106) USER MOD Set 1.2: B 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -0.046 F(o=-2.2!,f=-0.28) USER MOD Set 2.2: A 42 ASN :FLIP amide:sc= -0.235 X(o=-0.34,f=-0.28) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.0625 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= -0.0519 USER MOD Set 4.1: A 5 THR OG1 : rot 90:sc= 0.251 USER MOD Set 4.2: A 8 GLN : amide:sc= -1.25 K(o=-1,f=-14!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= 0.035 (180deg=0) USER MOD Single : A 17 SER OG : rot 19:sc= -0.533 USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0.234 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 34:sc= -0.921! USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= -0.85 (180deg=-2.55!) USER MOD Single : A 34 THR OG1 : rot 96:sc= 0.988 USER MOD Single : A 38 SER OG : rot -78:sc= 0.375 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 MET CE :methyl -169:sc= -0.0122 (180deg=-0.248) USER MOD Single : A 53 ASN : amide:sc= -2.91! C(o=-2.9!,f=-5.3!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.11! F(o=-1.4,f=-0.11!) USER MOD Single : A 62 THR OG1 : rot -73:sc= -0.0682! USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 71 MET CE :methyl 169:sc= -1.17 (180deg=-1.26) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= -0.0397 (180deg=-0.524) USER MOD Single : A 76 MET CE :methyl -131:sc= 0 (180deg=-0.0637) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.783 K(o=-0.78,f=-8.8!) USER MOD Single : B 61 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl -154:sc= -0.686 (180deg=-2.45) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.060 -27.218 1.956 1.00 0.00 N ATOM 2 CA ALA A 1 -5.459 -26.209 0.941 1.00 0.00 C ATOM 3 C ALA A 1 -4.293 -25.255 0.737 1.00 0.00 C ATOM 4 O ALA A 1 -3.859 -24.570 1.662 1.00 0.00 O ATOM 5 CB ALA A 1 -6.700 -25.452 1.419 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.845 -27.883 2.112 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.226 -27.740 1.618 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.830 -26.739 2.850 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.705 -26.695 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.987 -24.714 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.520 -26.155 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.479 -24.947 2.359 1.00 0.00 H new ATOM 13 N ASP A 2 -3.778 -25.247 -0.477 1.00 0.00 N ATOM 14 CA ASP A 2 -2.637 -24.412 -0.816 1.00 0.00 C ATOM 15 C ASP A 2 -3.011 -22.932 -0.837 1.00 0.00 C ATOM 16 O ASP A 2 -4.127 -22.566 -1.205 1.00 0.00 O ATOM 17 CB ASP A 2 -2.099 -24.852 -2.176 1.00 0.00 C ATOM 18 CG ASP A 2 -1.427 -26.219 -2.046 1.00 0.00 C ATOM 19 OD1 ASP A 2 -1.094 -26.595 -0.932 1.00 0.00 O ATOM 20 OD2 ASP A 2 -1.252 -26.870 -3.062 1.00 0.00 O ATOM 0 H ASP A 2 -4.132 -25.811 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.867 -24.534 -0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.912 -24.903 -2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.384 -24.119 -2.550 1.00 0.00 H new ATOM 25 N GLN A 3 -2.061 -22.087 -0.432 1.00 0.00 N ATOM 26 CA GLN A 3 -2.285 -20.647 -0.401 1.00 0.00 C ATOM 27 C GLN A 3 -2.340 -20.090 -1.824 1.00 0.00 C ATOM 28 O GLN A 3 -2.087 -20.808 -2.791 1.00 0.00 O ATOM 29 CB GLN A 3 -1.164 -19.961 0.391 1.00 0.00 C ATOM 30 CG GLN A 3 -1.266 -20.349 1.869 1.00 0.00 C ATOM 31 CD GLN A 3 -0.153 -19.675 2.666 1.00 0.00 C ATOM 32 OE1 GLN A 3 0.635 -18.908 2.109 1.00 0.00 O ATOM 33 NE2 GLN A 3 -0.044 -19.910 3.949 1.00 0.00 N ATOM 0 H GLN A 3 -1.133 -22.377 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.238 -20.449 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.192 -20.255 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.239 -18.879 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.238 -20.053 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.195 -21.432 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.697 -20.545 4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.694 -19.458 4.489 1.00 0.00 H new ATOM 42 N LEU A 4 -2.681 -18.813 -1.941 1.00 0.00 N ATOM 43 CA LEU A 4 -2.781 -18.157 -3.248 1.00 0.00 C ATOM 44 C LEU A 4 -1.626 -18.593 -4.165 1.00 0.00 C ATOM 45 O LEU A 4 -1.742 -19.581 -4.896 1.00 0.00 O ATOM 46 CB LEU A 4 -2.787 -16.605 -3.078 1.00 0.00 C ATOM 47 CG LEU A 4 -2.427 -16.219 -1.630 1.00 0.00 C ATOM 48 CD1 LEU A 4 -1.909 -14.782 -1.604 1.00 0.00 C ATOM 49 CD2 LEU A 4 -3.674 -16.333 -0.738 1.00 0.00 C ATOM 0 H LEU A 4 -2.894 -18.207 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.719 -18.460 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.074 -16.155 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.770 -16.209 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.656 -16.892 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.653 -14.506 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.023 -14.703 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.681 -14.110 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.416 -16.059 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.449 -15.662 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.043 -17.359 -0.757 1.00 0.00 H new ATOM 61 N THR A 5 -0.518 -17.848 -4.128 1.00 0.00 N ATOM 62 CA THR A 5 0.639 -18.163 -4.960 1.00 0.00 C ATOM 63 C THR A 5 1.912 -17.579 -4.352 1.00 0.00 C ATOM 64 O THR A 5 1.892 -16.501 -3.760 1.00 0.00 O ATOM 65 CB THR A 5 0.438 -17.603 -6.373 1.00 0.00 C ATOM 66 OG1 THR A 5 -0.863 -17.943 -6.834 1.00 0.00 O ATOM 67 CG2 THR A 5 1.485 -18.200 -7.318 1.00 0.00 C ATOM 0 H THR A 5 -0.401 -17.028 -3.533 1.00 0.00 H new ATOM 0 HA THR A 5 0.740 -19.247 -5.012 1.00 0.00 H new ATOM 0 HB THR A 5 0.548 -16.519 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.493 -17.234 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.340 -17.800 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.483 -17.941 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.378 -19.285 -7.341 1.00 0.00 H new ATOM 75 N GLU A 6 3.019 -18.294 -4.502 1.00 0.00 N ATOM 76 CA GLU A 6 4.291 -17.828 -3.960 1.00 0.00 C ATOM 77 C GLU A 6 4.517 -16.357 -4.302 1.00 0.00 C ATOM 78 O GLU A 6 4.691 -15.519 -3.428 1.00 0.00 O ATOM 79 CB GLU A 6 5.437 -18.676 -4.533 1.00 0.00 C ATOM 80 CG GLU A 6 6.763 -18.277 -3.885 1.00 0.00 C ATOM 81 CD GLU A 6 7.892 -19.170 -4.401 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.667 -19.884 -5.365 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.966 -19.124 -3.824 1.00 0.00 O ATOM 0 H GLU A 6 3.064 -19.189 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 6 4.266 -17.931 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.241 -19.733 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.496 -18.539 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.985 -17.233 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.687 -18.364 -2.801 1.00 0.00 H new ATOM 90 N GLU A 7 4.527 -16.053 -5.578 1.00 0.00 N ATOM 91 CA GLU A 7 4.738 -14.681 -6.010 1.00 0.00 C ATOM 92 C GLU A 7 3.850 -13.724 -5.209 1.00 0.00 C ATOM 93 O GLU A 7 4.339 -12.808 -4.556 1.00 0.00 O ATOM 94 CB GLU A 7 4.414 -14.567 -7.507 1.00 0.00 C ATOM 95 CG GLU A 7 2.974 -15.057 -7.778 1.00 0.00 C ATOM 96 CD GLU A 7 2.835 -15.578 -9.207 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.461 -16.579 -9.517 1.00 0.00 O ATOM 98 OE2 GLU A 7 2.094 -14.976 -9.966 1.00 0.00 O ATOM 0 H GLU A 7 4.393 -16.726 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 7 5.779 -14.409 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.522 -13.532 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.123 -15.159 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.715 -15.846 -7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.271 -14.240 -7.614 1.00 0.00 H new ATOM 105 N GLN A 8 2.544 -13.927 -5.289 1.00 0.00 N ATOM 106 CA GLN A 8 1.581 -13.053 -4.619 1.00 0.00 C ATOM 107 C GLN A 8 2.007 -12.675 -3.202 1.00 0.00 C ATOM 108 O GLN A 8 2.075 -11.486 -2.878 1.00 0.00 O ATOM 109 CB GLN A 8 0.223 -13.767 -4.561 1.00 0.00 C ATOM 110 CG GLN A 8 -0.430 -13.782 -5.947 1.00 0.00 C ATOM 111 CD GLN A 8 -1.716 -14.605 -5.933 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.666 -15.835 -5.972 1.00 0.00 O ATOM 113 NE2 GLN A 8 -2.870 -13.993 -5.888 1.00 0.00 N ATOM 0 H GLN A 8 2.120 -14.693 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 8 1.521 -12.129 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.356 -14.788 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.430 -13.263 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.650 -12.762 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.265 -14.198 -6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.906 -12.974 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.735 -14.534 -5.885 1.00 0.00 H new ATOM 122 N ILE A 9 2.275 -13.657 -2.349 1.00 0.00 N ATOM 123 CA ILE A 9 2.664 -13.342 -0.980 1.00 0.00 C ATOM 124 C ILE A 9 3.955 -12.523 -0.963 1.00 0.00 C ATOM 125 O ILE A 9 4.032 -11.489 -0.296 1.00 0.00 O ATOM 126 CB ILE A 9 2.821 -14.637 -0.168 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.652 -15.647 -0.951 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.443 -15.240 0.099 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.836 -16.914 -0.135 1.00 0.00 C ATOM 0 H ILE A 9 2.232 -14.651 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 9 1.881 -12.739 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 9 3.319 -14.404 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.160 -15.881 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.624 -15.218 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.553 -16.159 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.838 -14.529 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.953 -15.463 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.431 -17.629 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.348 -16.675 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.861 -17.348 0.087 1.00 0.00 H new ATOM 141 N ALA A 10 4.957 -12.969 -1.703 1.00 0.00 N ATOM 142 CA ALA A 10 6.221 -12.253 -1.756 1.00 0.00 C ATOM 143 C ALA A 10 5.981 -10.817 -2.219 1.00 0.00 C ATOM 144 O ALA A 10 6.497 -9.867 -1.633 1.00 0.00 O ATOM 145 CB ALA A 10 7.167 -12.968 -2.725 1.00 0.00 C ATOM 0 H ALA A 10 4.921 -13.816 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 10 6.672 -12.231 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.116 -12.434 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.339 -13.987 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.720 -12.992 -3.719 1.00 0.00 H new ATOM 151 N GLU A 11 5.178 -10.680 -3.270 1.00 0.00 N ATOM 152 CA GLU A 11 4.851 -9.371 -3.820 1.00 0.00 C ATOM 153 C GLU A 11 4.291 -8.450 -2.740 1.00 0.00 C ATOM 154 O GLU A 11 4.642 -7.272 -2.683 1.00 0.00 O ATOM 155 CB GLU A 11 3.820 -9.533 -4.946 1.00 0.00 C ATOM 156 CG GLU A 11 4.477 -10.158 -6.181 1.00 0.00 C ATOM 157 CD GLU A 11 5.494 -9.197 -6.785 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.136 -8.052 -7.013 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.618 -9.616 -7.000 1.00 0.00 O ATOM 0 H GLU A 11 4.741 -11.462 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 11 5.763 -8.923 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.996 -10.161 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.396 -8.562 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.968 -11.092 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.715 -10.404 -6.921 1.00 0.00 H new ATOM 166 N PHE A 12 3.428 -8.985 -1.880 1.00 0.00 N ATOM 167 CA PHE A 12 2.848 -8.187 -0.815 1.00 0.00 C ATOM 168 C PHE A 12 3.947 -7.708 0.142 1.00 0.00 C ATOM 169 O PHE A 12 3.969 -6.543 0.541 1.00 0.00 O ATOM 170 CB PHE A 12 1.763 -9.026 -0.086 1.00 0.00 C ATOM 171 CG PHE A 12 2.022 -9.086 1.405 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.915 -7.923 2.173 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.371 -10.296 2.011 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.153 -7.970 3.549 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.610 -10.343 3.383 1.00 0.00 C ATOM 176 CZ PHE A 12 2.502 -9.180 4.153 1.00 0.00 C ATOM 0 H PHE A 12 3.120 -9.957 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 12 2.371 -7.298 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.780 -8.591 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.746 -10.036 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.648 -6.988 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.455 -11.194 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.067 -7.073 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.879 -11.278 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.689 -9.218 5.216 1.00 0.00 H new ATOM 186 N LYS A 13 4.852 -8.614 0.502 1.00 0.00 N ATOM 187 CA LYS A 13 5.936 -8.276 1.405 1.00 0.00 C ATOM 188 C LYS A 13 6.783 -7.151 0.816 1.00 0.00 C ATOM 189 O LYS A 13 7.147 -6.203 1.514 1.00 0.00 O ATOM 190 CB LYS A 13 6.808 -9.510 1.658 1.00 0.00 C ATOM 191 CG LYS A 13 8.078 -9.117 2.459 1.00 0.00 C ATOM 192 CD LYS A 13 9.260 -8.963 1.496 1.00 0.00 C ATOM 193 CE LYS A 13 10.396 -8.214 2.163 1.00 0.00 C ATOM 194 NZ LYS A 13 11.574 -8.239 1.253 1.00 0.00 N ATOM 0 H LYS A 13 4.852 -9.582 0.181 1.00 0.00 H new ATOM 0 HA LYS A 13 5.513 -7.938 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.239 -10.259 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.094 -9.962 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.908 -8.184 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.300 -9.879 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.604 -9.946 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.940 -8.429 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.101 -7.186 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.645 -8.676 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.087 -7.337 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.205 -9.020 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.253 -8.377 0.273 1.00 0.00 H new ATOM 208 N GLU A 14 7.093 -7.266 -0.471 1.00 0.00 N ATOM 209 CA GLU A 14 7.897 -6.253 -1.144 1.00 0.00 C ATOM 210 C GLU A 14 7.216 -4.889 -1.032 1.00 0.00 C ATOM 211 O GLU A 14 7.805 -3.925 -0.534 1.00 0.00 O ATOM 212 CB GLU A 14 8.063 -6.621 -2.622 1.00 0.00 C ATOM 213 CG GLU A 14 8.900 -7.901 -2.775 1.00 0.00 C ATOM 214 CD GLU A 14 10.325 -7.691 -2.266 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.740 -6.547 -2.168 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.984 -8.681 -1.990 1.00 0.00 O ATOM 0 H GLU A 14 6.803 -8.043 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 14 8.877 -6.206 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.083 -6.765 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.545 -5.800 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.430 -8.715 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.925 -8.200 -3.823 1.00 0.00 H new ATOM 223 N ALA A 15 5.965 -4.818 -1.482 1.00 0.00 N ATOM 224 CA ALA A 15 5.209 -3.573 -1.420 1.00 0.00 C ATOM 225 C ALA A 15 5.126 -3.081 0.023 1.00 0.00 C ATOM 226 O ALA A 15 5.317 -1.891 0.304 1.00 0.00 O ATOM 227 CB ALA A 15 3.808 -3.799 -1.992 1.00 0.00 C ATOM 0 H ALA A 15 5.458 -5.603 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 15 5.715 -2.811 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.242 -2.869 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.887 -4.125 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.296 -4.564 -1.409 1.00 0.00 H new ATOM 233 N PHE A 16 4.868 -4.003 0.941 1.00 0.00 N ATOM 234 CA PHE A 16 4.791 -3.649 2.350 1.00 0.00 C ATOM 235 C PHE A 16 6.103 -3.005 2.820 1.00 0.00 C ATOM 236 O PHE A 16 6.094 -1.939 3.436 1.00 0.00 O ATOM 237 CB PHE A 16 4.472 -4.920 3.178 1.00 0.00 C ATOM 238 CG PHE A 16 5.229 -4.916 4.492 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.816 -4.101 5.549 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.376 -5.711 4.626 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.554 -4.081 6.739 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.106 -5.695 5.811 1.00 0.00 C ATOM 243 CZ PHE A 16 6.698 -4.878 6.865 1.00 0.00 C ATOM 0 H PHE A 16 4.710 -4.990 0.738 1.00 0.00 H new ATOM 0 HA PHE A 16 3.995 -2.919 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.401 -4.973 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.737 -5.808 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.932 -3.489 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.694 -6.338 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.241 -3.451 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.986 -6.313 5.914 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.267 -4.860 7.783 1.00 0.00 H new ATOM 253 N SER A 17 7.217 -3.669 2.536 1.00 0.00 N ATOM 254 CA SER A 17 8.527 -3.171 2.946 1.00 0.00 C ATOM 255 C SER A 17 8.780 -1.768 2.398 1.00 0.00 C ATOM 256 O SER A 17 9.454 -0.956 3.035 1.00 0.00 O ATOM 257 CB SER A 17 9.630 -4.135 2.466 1.00 0.00 C ATOM 258 OG SER A 17 9.823 -5.145 3.443 1.00 0.00 O ATOM 0 H SER A 17 7.241 -4.551 2.025 1.00 0.00 H new ATOM 0 HA SER A 17 8.545 -3.116 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.349 -4.583 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.559 -3.590 2.300 1.00 0.00 H new ATOM 0 HG SER A 17 9.039 -5.188 4.029 1.00 0.00 H new ATOM 264 N LEU A 18 8.243 -1.488 1.219 1.00 0.00 N ATOM 265 CA LEU A 18 8.425 -0.175 0.602 1.00 0.00 C ATOM 266 C LEU A 18 7.710 0.918 1.382 1.00 0.00 C ATOM 267 O LEU A 18 8.239 2.019 1.540 1.00 0.00 O ATOM 268 CB LEU A 18 7.913 -0.189 -0.841 1.00 0.00 C ATOM 269 CG LEU A 18 8.854 -1.024 -1.729 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.246 -1.155 -3.133 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.246 -0.351 -1.825 1.00 0.00 C ATOM 0 H LEU A 18 7.683 -2.142 0.673 1.00 0.00 H new ATOM 0 HA LEU A 18 9.493 0.042 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.906 -0.605 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.850 0.830 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 18 8.974 -2.013 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.910 -1.746 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.276 -1.648 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.119 -0.164 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.899 -0.954 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.140 0.644 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.680 -0.269 -0.828 1.00 0.00 H new ATOM 283 N PHE A 19 6.502 0.619 1.842 1.00 0.00 N ATOM 284 CA PHE A 19 5.718 1.600 2.584 1.00 0.00 C ATOM 285 C PHE A 19 6.151 1.677 4.040 1.00 0.00 C ATOM 286 O PHE A 19 6.258 2.755 4.582 1.00 0.00 O ATOM 287 CB PHE A 19 4.239 1.252 2.517 1.00 0.00 C ATOM 288 CG PHE A 19 3.825 1.060 1.077 1.00 0.00 C ATOM 289 CD1 PHE A 19 4.001 2.095 0.144 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.266 -0.154 0.671 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.619 1.907 -1.188 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.888 -0.338 -0.654 1.00 0.00 C ATOM 293 CZ PHE A 19 3.063 0.689 -1.589 1.00 0.00 C ATOM 0 H PHE A 19 6.047 -0.285 1.717 1.00 0.00 H new ATOM 0 HA PHE A 19 5.890 2.572 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.043 0.343 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.648 2.046 2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.431 3.036 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.127 -0.950 1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.753 2.702 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.457 -1.279 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.769 0.541 -2.618 1.00 0.00 H new ATOM 303 N ASP A 20 6.373 0.537 4.675 1.00 0.00 N ATOM 304 CA ASP A 20 6.780 0.533 6.081 1.00 0.00 C ATOM 305 C ASP A 20 8.165 1.166 6.263 1.00 0.00 C ATOM 306 O ASP A 20 9.104 0.507 6.710 1.00 0.00 O ATOM 307 CB ASP A 20 6.803 -0.902 6.610 1.00 0.00 C ATOM 308 CG ASP A 20 7.153 -0.910 8.095 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.452 0.149 8.618 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.121 -1.976 8.684 1.00 0.00 O ATOM 0 H ASP A 20 6.282 -0.387 4.252 1.00 0.00 H new ATOM 0 HA ASP A 20 6.056 1.124 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.831 -1.370 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.532 -1.491 6.054 1.00 0.00 H new ATOM 315 N LYS A 21 8.285 2.446 5.909 1.00 0.00 N ATOM 316 CA LYS A 21 9.566 3.137 6.030 1.00 0.00 C ATOM 317 C LYS A 21 10.115 2.957 7.438 1.00 0.00 C ATOM 318 O LYS A 21 11.304 2.699 7.617 1.00 0.00 O ATOM 319 CB LYS A 21 9.407 4.636 5.725 1.00 0.00 C ATOM 320 CG LYS A 21 8.501 4.861 4.505 1.00 0.00 C ATOM 321 CD LYS A 21 8.973 4.031 3.298 1.00 0.00 C ATOM 322 CE LYS A 21 10.402 4.431 2.909 1.00 0.00 C ATOM 323 NZ LYS A 21 10.704 3.920 1.544 1.00 0.00 N ATOM 0 H LYS A 21 7.523 3.017 5.542 1.00 0.00 H new ATOM 0 HA LYS A 21 10.261 2.707 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.986 5.144 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.386 5.078 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.475 4.591 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.497 5.919 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.938 2.969 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.301 4.187 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.508 5.516 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.114 4.024 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.649 3.486 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.995 3.209 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.680 4.708 0.865 1.00 0.00 H new ATOM 337 N ASP A 22 9.249 3.096 8.436 1.00 0.00 N ATOM 338 CA ASP A 22 9.677 2.949 9.818 1.00 0.00 C ATOM 339 C ASP A 22 10.213 1.537 10.049 1.00 0.00 C ATOM 340 O ASP A 22 10.960 1.293 10.997 1.00 0.00 O ATOM 341 CB ASP A 22 8.481 3.197 10.740 1.00 0.00 C ATOM 342 CG ASP A 22 7.733 4.453 10.305 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.347 5.299 9.676 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.553 4.543 10.603 1.00 0.00 O ATOM 0 H ASP A 22 8.259 3.308 8.314 1.00 0.00 H new ATOM 0 HA ASP A 22 10.467 3.669 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.810 2.338 10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.822 3.306 11.769 1.00 0.00 H new ATOM 349 N GLY A 23 9.843 0.618 9.158 1.00 0.00 N ATOM 350 CA GLY A 23 10.307 -0.762 9.249 1.00 0.00 C ATOM 351 C GLY A 23 9.960 -1.393 10.593 1.00 0.00 C ATOM 352 O GLY A 23 10.742 -2.170 11.138 1.00 0.00 O ATOM 0 H GLY A 23 9.225 0.805 8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.860 -1.349 8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.387 -0.792 9.102 1.00 0.00 H new ATOM 356 N ASP A 24 8.783 -1.063 11.130 1.00 0.00 N ATOM 357 CA ASP A 24 8.359 -1.621 12.421 1.00 0.00 C ATOM 358 C ASP A 24 7.413 -2.805 12.226 1.00 0.00 C ATOM 359 O ASP A 24 7.208 -3.599 13.140 1.00 0.00 O ATOM 360 CB ASP A 24 7.684 -0.533 13.264 1.00 0.00 C ATOM 361 CG ASP A 24 6.270 -0.244 12.768 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.922 -0.727 11.704 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.554 0.456 13.464 1.00 0.00 O ATOM 0 H ASP A 24 8.114 -0.423 10.701 1.00 0.00 H new ATOM 0 HA ASP A 24 9.244 -1.982 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.648 -0.848 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.278 0.380 13.227 1.00 0.00 H new ATOM 368 N GLY A 25 6.836 -2.918 11.027 1.00 0.00 N ATOM 369 CA GLY A 25 5.909 -4.015 10.719 1.00 0.00 C ATOM 370 C GLY A 25 4.504 -3.489 10.463 1.00 0.00 C ATOM 371 O GLY A 25 3.552 -4.262 10.361 1.00 0.00 O ATOM 0 H GLY A 25 6.992 -2.268 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.262 -4.559 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.890 -4.723 11.548 1.00 0.00 H new ATOM 375 N THR A 26 4.379 -2.170 10.356 1.00 0.00 N ATOM 376 CA THR A 26 3.085 -1.540 10.107 1.00 0.00 C ATOM 377 C THR A 26 3.254 -0.334 9.193 1.00 0.00 C ATOM 378 O THR A 26 4.315 0.287 9.167 1.00 0.00 O ATOM 379 CB THR A 26 2.460 -1.101 11.447 1.00 0.00 C ATOM 380 OG1 THR A 26 3.504 -0.816 12.373 1.00 0.00 O ATOM 381 CG2 THR A 26 1.536 -2.200 11.995 1.00 0.00 C ATOM 0 H THR A 26 5.157 -1.516 10.438 1.00 0.00 H new ATOM 0 HA THR A 26 2.426 -2.258 9.618 1.00 0.00 H new ATOM 0 HB THR A 26 1.858 -0.205 11.292 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.273 -0.443 11.894 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.104 -1.874 12.941 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.738 -2.395 11.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.111 -3.112 12.155 1.00 0.00 H new ATOM 389 N ILE A 27 2.185 0.014 8.474 1.00 0.00 N ATOM 390 CA ILE A 27 2.205 1.171 7.591 1.00 0.00 C ATOM 391 C ILE A 27 1.258 2.227 8.145 1.00 0.00 C ATOM 392 O ILE A 27 0.095 1.941 8.401 1.00 0.00 O ATOM 393 CB ILE A 27 1.779 0.772 6.185 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.766 -0.252 5.624 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.767 2.010 5.295 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.168 -0.896 4.369 1.00 0.00 C ATOM 0 H ILE A 27 1.299 -0.491 8.489 1.00 0.00 H new ATOM 0 HA ILE A 27 3.217 1.573 7.539 1.00 0.00 H new ATOM 0 HB ILE A 27 0.782 0.333 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.712 0.232 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.980 -1.016 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.463 1.730 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.064 2.740 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.766 2.446 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.869 -1.627 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.233 -1.393 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.976 -0.126 3.621 1.00 0.00 H new ATOM 408 N THR A 28 1.768 3.443 8.333 1.00 0.00 N ATOM 409 CA THR A 28 0.959 4.546 8.877 1.00 0.00 C ATOM 410 C THR A 28 0.773 5.654 7.843 1.00 0.00 C ATOM 411 O THR A 28 1.312 5.588 6.735 1.00 0.00 O ATOM 412 CB THR A 28 1.623 5.110 10.137 1.00 0.00 C ATOM 413 OG1 THR A 28 0.753 6.051 10.744 1.00 0.00 O ATOM 414 CG2 THR A 28 2.931 5.798 9.776 1.00 0.00 C ATOM 0 H THR A 28 2.733 3.694 8.119 1.00 0.00 H new ATOM 0 HA THR A 28 -0.025 4.152 9.133 1.00 0.00 H new ATOM 0 HB THR A 28 1.828 4.292 10.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.174 6.413 11.552 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.394 6.195 10.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.604 5.079 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.733 6.614 9.081 1.00 0.00 H new ATOM 422 N THR A 29 -0.001 6.671 8.216 1.00 0.00 N ATOM 423 CA THR A 29 -0.271 7.794 7.323 1.00 0.00 C ATOM 424 C THR A 29 1.021 8.520 6.959 1.00 0.00 C ATOM 425 O THR A 29 1.198 8.969 5.829 1.00 0.00 O ATOM 426 CB THR A 29 -1.213 8.789 8.010 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.581 9.312 9.171 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.504 8.078 8.415 1.00 0.00 C ATOM 0 H THR A 29 -0.451 6.740 9.129 1.00 0.00 H new ATOM 0 HA THR A 29 -0.731 7.401 6.416 1.00 0.00 H new ATOM 0 HB THR A 29 -1.446 9.601 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.181 9.950 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.172 8.787 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.990 7.673 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.271 7.266 9.104 1.00 0.00 H new ATOM 436 N LYS A 30 1.913 8.641 7.936 1.00 0.00 N ATOM 437 CA LYS A 30 3.186 9.324 7.729 1.00 0.00 C ATOM 438 C LYS A 30 4.092 8.529 6.789 1.00 0.00 C ATOM 439 O LYS A 30 4.696 9.088 5.872 1.00 0.00 O ATOM 440 CB LYS A 30 3.881 9.534 9.076 1.00 0.00 C ATOM 441 CG LYS A 30 3.036 10.473 9.943 1.00 0.00 C ATOM 442 CD LYS A 30 3.759 10.736 11.269 1.00 0.00 C ATOM 443 CE LYS A 30 3.932 9.419 12.050 1.00 0.00 C ATOM 444 NZ LYS A 30 5.236 8.806 11.683 1.00 0.00 N ATOM 0 H LYS A 30 1.779 8.275 8.879 1.00 0.00 H new ATOM 0 HA LYS A 30 2.988 10.291 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.016 8.578 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.874 9.957 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.864 11.413 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.058 10.029 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.734 11.185 11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.191 11.450 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.894 9.610 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.116 8.734 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.079 7.839 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.689 9.374 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.853 8.775 12.520 1.00 0.00 H new ATOM 458 N GLU A 31 4.176 7.219 7.015 1.00 0.00 N ATOM 459 CA GLU A 31 5.000 6.357 6.174 1.00 0.00 C ATOM 460 C GLU A 31 4.534 6.446 4.725 1.00 0.00 C ATOM 461 O GLU A 31 5.272 6.901 3.845 1.00 0.00 O ATOM 462 CB GLU A 31 4.902 4.903 6.674 1.00 0.00 C ATOM 463 CG GLU A 31 5.857 4.680 7.858 1.00 0.00 C ATOM 464 CD GLU A 31 5.614 3.313 8.496 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.476 3.022 8.817 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.574 2.583 8.664 1.00 0.00 O ATOM 0 H GLU A 31 3.687 6.735 7.768 1.00 0.00 H new ATOM 0 HA GLU A 31 6.038 6.685 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.878 4.684 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.149 4.216 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.890 4.750 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.713 5.465 8.601 1.00 0.00 H new ATOM 473 N LEU A 32 3.302 6.022 4.482 1.00 0.00 N ATOM 474 CA LEU A 32 2.744 6.068 3.141 1.00 0.00 C ATOM 475 C LEU A 32 2.674 7.502 2.635 1.00 0.00 C ATOM 476 O LEU A 32 3.116 7.799 1.529 1.00 0.00 O ATOM 477 CB LEU A 32 1.345 5.446 3.167 1.00 0.00 C ATOM 478 CG LEU A 32 0.571 5.700 1.859 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.235 4.934 0.720 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.870 5.211 2.015 1.00 0.00 C ATOM 0 H LEU A 32 2.674 5.645 5.192 1.00 0.00 H new ATOM 0 HA LEU A 32 3.386 5.505 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.430 4.372 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.782 5.856 4.006 1.00 0.00 H new ATOM 0 HG LEU A 32 0.576 6.767 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.688 5.113 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.264 5.273 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.227 3.868 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.417 5.391 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.870 4.143 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.351 5.750 2.831 1.00 0.00 H new ATOM 492 N GLY A 33 2.118 8.386 3.456 1.00 0.00 N ATOM 493 CA GLY A 33 1.991 9.788 3.074 1.00 0.00 C ATOM 494 C GLY A 33 3.312 10.304 2.533 1.00 0.00 C ATOM 495 O GLY A 33 3.345 11.040 1.545 1.00 0.00 O ATOM 0 H GLY A 33 1.751 8.161 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.212 9.898 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.686 10.381 3.936 1.00 0.00 H new ATOM 499 N THR A 34 4.404 9.909 3.183 1.00 0.00 N ATOM 500 CA THR A 34 5.722 10.333 2.748 1.00 0.00 C ATOM 501 C THR A 34 5.982 9.827 1.336 1.00 0.00 C ATOM 502 O THR A 34 6.354 10.604 0.462 1.00 0.00 O ATOM 503 CB THR A 34 6.791 9.792 3.699 1.00 0.00 C ATOM 504 OG1 THR A 34 6.556 10.297 5.008 1.00 0.00 O ATOM 505 CG2 THR A 34 8.181 10.236 3.232 1.00 0.00 C ATOM 0 H THR A 34 4.398 9.303 4.003 1.00 0.00 H new ATOM 0 HA THR A 34 5.765 11.422 2.755 1.00 0.00 H new ATOM 0 HB THR A 34 6.744 8.703 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.046 9.640 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.936 9.846 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.367 9.853 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.230 11.325 3.220 1.00 0.00 H new ATOM 513 N VAL A 35 5.790 8.519 1.106 1.00 0.00 N ATOM 514 CA VAL A 35 6.014 7.938 -0.208 1.00 0.00 C ATOM 515 C VAL A 35 5.094 8.571 -1.252 1.00 0.00 C ATOM 516 O VAL A 35 5.508 8.831 -2.378 1.00 0.00 O ATOM 517 CB VAL A 35 5.736 6.422 -0.141 1.00 0.00 C ATOM 518 CG1 VAL A 35 6.016 5.782 -1.506 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.634 5.776 0.915 1.00 0.00 C ATOM 0 H VAL A 35 5.482 7.854 1.815 1.00 0.00 H new ATOM 0 HA VAL A 35 7.048 8.125 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 35 4.691 6.265 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.818 4.711 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.370 6.234 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.059 5.945 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.433 4.706 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.679 5.939 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.430 6.223 1.888 1.00 0.00 H new ATOM 529 N MET A 36 3.847 8.809 -0.869 1.00 0.00 N ATOM 530 CA MET A 36 2.876 9.408 -1.788 1.00 0.00 C ATOM 531 C MET A 36 3.275 10.837 -2.147 1.00 0.00 C ATOM 532 O MET A 36 2.957 11.326 -3.230 1.00 0.00 O ATOM 533 CB MET A 36 1.481 9.389 -1.167 1.00 0.00 C ATOM 534 CG MET A 36 1.051 7.934 -0.941 1.00 0.00 C ATOM 535 SD MET A 36 0.886 7.068 -2.524 1.00 0.00 S ATOM 536 CE MET A 36 -0.894 7.297 -2.716 1.00 0.00 C ATOM 0 H MET A 36 3.482 8.601 0.060 1.00 0.00 H new ATOM 0 HA MET A 36 2.864 8.818 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.483 9.931 -0.222 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.771 9.893 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.784 7.425 -0.316 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.102 7.908 -0.405 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.197 6.977 -3.713 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.420 6.703 -1.969 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.142 8.350 -2.583 1.00 0.00 H new ATOM 546 N ARG A 37 3.959 11.502 -1.230 1.00 0.00 N ATOM 547 CA ARG A 37 4.385 12.878 -1.473 1.00 0.00 C ATOM 548 C ARG A 37 5.560 12.933 -2.457 1.00 0.00 C ATOM 549 O ARG A 37 5.531 13.689 -3.428 1.00 0.00 O ATOM 550 CB ARG A 37 4.778 13.550 -0.151 1.00 0.00 C ATOM 551 CG ARG A 37 5.201 15.005 -0.400 1.00 0.00 C ATOM 552 CD ARG A 37 4.037 15.802 -0.998 1.00 0.00 C ATOM 553 NE ARG A 37 4.186 17.205 -0.656 1.00 0.00 N ATOM 554 CZ ARG A 37 3.608 18.157 -1.376 1.00 0.00 C ATOM 555 NH1 ARG A 37 2.885 17.843 -2.420 1.00 0.00 N ATOM 556 NH2 ARG A 37 3.766 19.405 -1.042 1.00 0.00 N ATOM 0 H ARG A 37 4.230 11.122 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 37 3.547 13.415 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.938 13.522 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.596 13.001 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.521 15.463 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.055 15.032 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.017 15.681 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.089 15.422 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 37 4.747 17.464 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.765 16.864 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.441 18.577 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.333 19.648 -0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.323 20.140 -1.593 1.00 0.00 H new ATOM 570 N SER A 38 6.594 12.138 -2.193 1.00 0.00 N ATOM 571 CA SER A 38 7.780 12.115 -3.053 1.00 0.00 C ATOM 572 C SER A 38 7.410 11.700 -4.475 1.00 0.00 C ATOM 573 O SER A 38 8.037 12.122 -5.446 1.00 0.00 O ATOM 574 CB SER A 38 8.815 11.144 -2.487 1.00 0.00 C ATOM 575 OG SER A 38 10.001 11.220 -3.267 1.00 0.00 O ATOM 0 H SER A 38 6.637 11.503 -1.396 1.00 0.00 H new ATOM 0 HA SER A 38 8.202 13.120 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.032 11.390 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.422 10.127 -2.498 1.00 0.00 H new ATOM 0 HG SER A 38 9.877 10.718 -4.100 1.00 0.00 H new ATOM 581 N LEU A 39 6.386 10.867 -4.579 1.00 0.00 N ATOM 582 CA LEU A 39 5.920 10.388 -5.881 1.00 0.00 C ATOM 583 C LEU A 39 5.269 11.507 -6.687 1.00 0.00 C ATOM 584 O LEU A 39 5.324 11.504 -7.916 1.00 0.00 O ATOM 585 CB LEU A 39 4.942 9.230 -5.702 1.00 0.00 C ATOM 586 CG LEU A 39 5.705 7.979 -5.237 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.705 6.941 -4.723 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.521 7.373 -6.402 1.00 0.00 C ATOM 0 H LEU A 39 5.860 10.507 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 39 6.790 10.037 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.178 9.495 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.427 9.027 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 39 6.393 8.263 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.241 6.052 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.144 7.359 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.016 6.672 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.053 6.489 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.847 7.094 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.239 8.109 -6.765 1.00 0.00 H new ATOM 600 N GLY A 40 4.664 12.468 -5.992 1.00 0.00 N ATOM 601 CA GLY A 40 4.013 13.603 -6.654 1.00 0.00 C ATOM 602 C GLY A 40 2.490 13.501 -6.581 1.00 0.00 C ATOM 603 O GLY A 40 1.782 14.151 -7.348 1.00 0.00 O ATOM 0 H GLY A 40 4.609 12.486 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.338 14.533 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.326 13.644 -7.697 1.00 0.00 H new ATOM 607 N GLN A 41 1.987 12.683 -5.655 1.00 0.00 N ATOM 608 CA GLN A 41 0.542 12.513 -5.508 1.00 0.00 C ATOM 609 C GLN A 41 -0.070 13.686 -4.742 1.00 0.00 C ATOM 610 O GLN A 41 0.613 14.373 -3.978 1.00 0.00 O ATOM 611 CB GLN A 41 0.241 11.196 -4.783 1.00 0.00 C ATOM 612 CG GLN A 41 -1.270 10.920 -4.763 1.00 0.00 C ATOM 613 CD GLN A 41 -1.814 10.773 -6.185 1.00 0.00 C ATOM 614 OE1 GLN A 41 -2.731 11.601 -6.616 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -1.389 9.884 -6.923 1.00 0.00 N flip ATOM 0 H GLN A 41 2.550 12.135 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 41 0.096 12.485 -6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.759 10.375 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.621 11.242 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.471 10.011 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.786 11.734 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.674 9.239 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.752 9.792 -7.872 1.00 0.00 H new ATOM 624 N ASN A 42 -1.362 13.918 -4.975 1.00 0.00 N ATOM 625 CA ASN A 42 -2.078 15.016 -4.335 1.00 0.00 C ATOM 626 C ASN A 42 -1.611 15.224 -2.884 1.00 0.00 C ATOM 627 O ASN A 42 -1.341 14.254 -2.174 1.00 0.00 O ATOM 628 CB ASN A 42 -3.579 14.731 -4.347 1.00 0.00 C ATOM 629 CG ASN A 42 -4.063 14.576 -5.784 1.00 0.00 C ATOM 630 OD1 ASN A 42 -4.770 13.528 -6.115 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 -3.786 15.431 -6.627 1.00 0.00 N flip ATOM 0 H ASN A 42 -1.934 13.356 -5.605 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.865 15.926 -4.897 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.791 13.823 -3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.117 15.543 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.234 16.247 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.109 15.323 -7.588 1.00 0.00 H new ATOM 638 N PRO A 43 -1.521 16.455 -2.425 1.00 0.00 N ATOM 639 CA PRO A 43 -1.086 16.763 -1.028 1.00 0.00 C ATOM 640 C PRO A 43 -2.160 16.398 -0.004 1.00 0.00 C ATOM 641 O PRO A 43 -1.927 16.465 1.203 1.00 0.00 O ATOM 642 CB PRO A 43 -0.821 18.280 -1.052 1.00 0.00 C ATOM 643 CG PRO A 43 -1.688 18.812 -2.151 1.00 0.00 C ATOM 644 CD PRO A 43 -1.823 17.687 -3.179 1.00 0.00 C ATOM 0 HA PRO A 43 -0.210 16.187 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.072 18.739 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.231 18.493 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.665 19.106 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.243 19.699 -2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.827 17.656 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.130 17.823 -4.009 1.00 0.00 H new ATOM 652 N THR A 44 -3.338 16.029 -0.496 1.00 0.00 N ATOM 653 CA THR A 44 -4.446 15.672 0.380 1.00 0.00 C ATOM 654 C THR A 44 -4.072 14.520 1.314 1.00 0.00 C ATOM 655 O THR A 44 -4.471 13.375 1.108 1.00 0.00 O ATOM 656 CB THR A 44 -5.667 15.286 -0.466 1.00 0.00 C ATOM 657 OG1 THR A 44 -6.747 14.952 0.395 1.00 0.00 O ATOM 658 CG2 THR A 44 -5.339 14.082 -1.371 1.00 0.00 C ATOM 0 H THR A 44 -3.549 15.970 -1.492 1.00 0.00 H new ATOM 0 HA THR A 44 -4.685 16.538 0.998 1.00 0.00 H new ATOM 0 HB THR A 44 -5.942 16.132 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.529 14.706 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.216 13.822 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.515 14.341 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.053 13.230 -0.754 1.00 0.00 H new ATOM 666 N GLU A 45 -3.316 14.844 2.355 1.00 0.00 N ATOM 667 CA GLU A 45 -2.893 13.857 3.343 1.00 0.00 C ATOM 668 C GLU A 45 -4.095 13.394 4.176 1.00 0.00 C ATOM 669 O GLU A 45 -4.011 12.441 4.958 1.00 0.00 O ATOM 670 CB GLU A 45 -1.816 14.464 4.253 1.00 0.00 C ATOM 671 CG GLU A 45 -2.414 15.602 5.086 1.00 0.00 C ATOM 672 CD GLU A 45 -1.319 16.296 5.891 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.278 16.580 5.319 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.531 16.528 7.069 1.00 0.00 O ATOM 0 H GLU A 45 -2.981 15.790 2.539 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.475 12.992 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.409 13.696 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.989 14.839 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.906 16.322 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.176 15.209 5.758 1.00 0.00 H new ATOM 681 N ALA A 46 -5.223 14.070 3.974 1.00 0.00 N ATOM 682 CA ALA A 46 -6.451 13.728 4.681 1.00 0.00 C ATOM 683 C ALA A 46 -7.052 12.439 4.122 1.00 0.00 C ATOM 684 O ALA A 46 -7.602 11.624 4.863 1.00 0.00 O ATOM 685 CB ALA A 46 -7.459 14.870 4.562 1.00 0.00 C ATOM 0 H ALA A 46 -5.311 14.855 3.329 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.212 13.571 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.373 14.605 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.036 15.776 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.688 15.045 3.511 1.00 0.00 H new ATOM 691 N GLU A 47 -6.934 12.270 2.810 1.00 0.00 N ATOM 692 CA GLU A 47 -7.460 11.086 2.141 1.00 0.00 C ATOM 693 C GLU A 47 -6.848 9.832 2.758 1.00 0.00 C ATOM 694 O GLU A 47 -7.562 8.886 3.085 1.00 0.00 O ATOM 695 CB GLU A 47 -7.113 11.158 0.645 1.00 0.00 C ATOM 696 CG GLU A 47 -7.823 10.044 -0.132 1.00 0.00 C ATOM 697 CD GLU A 47 -9.317 10.332 -0.229 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.724 11.406 0.178 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.032 9.469 -0.714 1.00 0.00 O ATOM 0 H GLU A 47 -6.479 12.938 2.188 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.543 11.046 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.405 12.129 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.035 11.070 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.397 9.961 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.662 9.087 0.364 1.00 0.00 H new ATOM 706 N LEU A 48 -5.524 9.838 2.928 1.00 0.00 N ATOM 707 CA LEU A 48 -4.832 8.698 3.519 1.00 0.00 C ATOM 708 C LEU A 48 -5.323 8.473 4.949 1.00 0.00 C ATOM 709 O LEU A 48 -5.671 7.353 5.328 1.00 0.00 O ATOM 710 CB LEU A 48 -3.324 8.978 3.535 1.00 0.00 C ATOM 711 CG LEU A 48 -2.724 8.718 2.147 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.537 9.461 1.081 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.276 9.215 2.114 1.00 0.00 C ATOM 0 H LEU A 48 -4.916 10.614 2.666 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.037 7.805 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.141 10.011 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.836 8.343 4.275 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.750 7.648 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.106 9.272 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.568 9.109 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.516 10.531 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.850 9.030 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.253 10.284 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.692 8.685 2.866 1.00 0.00 H new ATOM 725 N GLN A 49 -5.349 9.549 5.737 1.00 0.00 N ATOM 726 CA GLN A 49 -5.796 9.451 7.127 1.00 0.00 C ATOM 727 C GLN A 49 -7.161 8.772 7.213 1.00 0.00 C ATOM 728 O GLN A 49 -7.375 7.890 8.045 1.00 0.00 O ATOM 729 CB GLN A 49 -5.892 10.849 7.734 1.00 0.00 C ATOM 730 CG GLN A 49 -4.492 11.428 7.935 1.00 0.00 C ATOM 731 CD GLN A 49 -4.584 12.894 8.345 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.684 13.424 8.516 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.488 13.585 8.513 1.00 0.00 N ATOM 0 H GLN A 49 -5.070 10.485 5.442 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.071 8.853 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.473 11.499 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.417 10.805 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.962 10.861 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.916 11.336 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.580 13.143 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.541 14.566 8.787 1.00 0.00 H new ATOM 742 N ASP A 50 -8.073 9.186 6.348 1.00 0.00 N ATOM 743 CA ASP A 50 -9.416 8.616 6.328 1.00 0.00 C ATOM 744 C ASP A 50 -9.411 7.206 5.733 1.00 0.00 C ATOM 745 O ASP A 50 -10.096 6.314 6.235 1.00 0.00 O ATOM 746 CB ASP A 50 -10.343 9.517 5.510 1.00 0.00 C ATOM 747 CG ASP A 50 -11.803 9.196 5.814 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.225 8.094 5.504 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.478 10.058 6.350 1.00 0.00 O ATOM 0 H ASP A 50 -7.911 9.913 5.651 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.775 8.550 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.139 10.563 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.148 9.380 4.446 1.00 0.00 H new ATOM 754 N MET A 51 -8.649 7.012 4.657 1.00 0.00 N ATOM 755 CA MET A 51 -8.591 5.707 4.003 1.00 0.00 C ATOM 756 C MET A 51 -8.060 4.650 4.961 1.00 0.00 C ATOM 757 O MET A 51 -8.669 3.596 5.122 1.00 0.00 O ATOM 758 CB MET A 51 -7.677 5.791 2.774 1.00 0.00 C ATOM 759 CG MET A 51 -8.428 6.439 1.608 1.00 0.00 C ATOM 760 SD MET A 51 -9.686 5.293 0.996 1.00 0.00 S ATOM 761 CE MET A 51 -10.786 6.529 0.264 1.00 0.00 C ATOM 0 H MET A 51 -8.070 7.732 4.225 1.00 0.00 H new ATOM 0 HA MET A 51 -9.598 5.425 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.786 6.372 3.012 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.341 4.793 2.492 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.894 7.369 1.933 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.732 6.694 0.809 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.732 6.060 -0.005 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.968 7.326 0.985 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.321 6.946 -0.629 1.00 0.00 H new ATOM 771 N ILE A 52 -6.939 4.940 5.607 1.00 0.00 N ATOM 772 CA ILE A 52 -6.361 3.997 6.553 1.00 0.00 C ATOM 773 C ILE A 52 -7.310 3.799 7.731 1.00 0.00 C ATOM 774 O ILE A 52 -7.506 2.678 8.203 1.00 0.00 O ATOM 775 CB ILE A 52 -4.989 4.501 7.036 1.00 0.00 C ATOM 776 CG1 ILE A 52 -3.999 4.453 5.856 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.463 3.614 8.181 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.576 4.781 6.335 1.00 0.00 C ATOM 0 H ILE A 52 -6.417 5.809 5.495 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.216 3.037 6.058 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.090 5.522 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.016 3.464 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.304 5.164 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.492 3.984 8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.165 3.642 9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.360 2.588 7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.890 4.743 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.560 5.780 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.268 4.053 7.086 1.00 0.00 H new ATOM 790 N ASN A 53 -7.889 4.895 8.203 1.00 0.00 N ATOM 791 CA ASN A 53 -8.811 4.845 9.330 1.00 0.00 C ATOM 792 C ASN A 53 -9.978 3.904 9.033 1.00 0.00 C ATOM 793 O ASN A 53 -10.474 3.220 9.930 1.00 0.00 O ATOM 794 CB ASN A 53 -9.341 6.256 9.618 1.00 0.00 C ATOM 795 CG ASN A 53 -10.304 6.235 10.802 1.00 0.00 C ATOM 796 OD1 ASN A 53 -11.028 5.259 11.000 1.00 0.00 O ATOM 797 ND2 ASN A 53 -10.355 7.263 11.605 1.00 0.00 N ATOM 0 H ASN A 53 -7.737 5.829 7.823 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.278 4.467 10.203 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.509 6.927 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.848 6.647 8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.996 7.259 12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.754 8.070 11.439 1.00 0.00 H new ATOM 804 N GLU A 54 -10.418 3.878 7.779 1.00 0.00 N ATOM 805 CA GLU A 54 -11.535 3.021 7.389 1.00 0.00 C ATOM 806 C GLU A 54 -11.157 1.541 7.480 1.00 0.00 C ATOM 807 O GLU A 54 -11.941 0.728 7.969 1.00 0.00 O ATOM 808 CB GLU A 54 -11.967 3.352 5.955 1.00 0.00 C ATOM 809 CG GLU A 54 -13.263 2.610 5.606 1.00 0.00 C ATOM 810 CD GLU A 54 -14.437 3.192 6.391 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.242 4.197 7.055 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.513 2.625 6.313 1.00 0.00 O ATOM 0 H GLU A 54 -10.023 4.435 7.021 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.360 3.207 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.116 4.427 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.179 3.071 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.458 2.688 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.155 1.549 5.833 1.00 0.00 H new ATOM 819 N VAL A 55 -9.963 1.190 6.996 1.00 0.00 N ATOM 820 CA VAL A 55 -9.513 -0.209 7.017 1.00 0.00 C ATOM 821 C VAL A 55 -8.647 -0.510 8.244 1.00 0.00 C ATOM 822 O VAL A 55 -7.942 -1.517 8.273 1.00 0.00 O ATOM 823 CB VAL A 55 -8.722 -0.526 5.741 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.667 -0.495 4.535 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.606 0.509 5.540 1.00 0.00 C ATOM 0 H VAL A 55 -9.295 1.845 6.589 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.401 -0.838 7.068 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.277 -1.516 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.106 -0.720 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.453 -1.238 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.115 0.495 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.051 0.274 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.044 1.503 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.930 0.485 6.394 1.00 0.00 H new ATOM 835 N ASP A 56 -8.704 0.357 9.253 1.00 0.00 N ATOM 836 CA ASP A 56 -7.912 0.150 10.468 1.00 0.00 C ATOM 837 C ASP A 56 -8.280 -1.173 11.143 1.00 0.00 C ATOM 838 O ASP A 56 -8.587 -2.154 10.465 1.00 0.00 O ATOM 839 CB ASP A 56 -8.133 1.308 11.444 1.00 0.00 C ATOM 840 CG ASP A 56 -9.590 1.349 11.893 1.00 0.00 C ATOM 841 OD1 ASP A 56 -10.305 0.400 11.619 1.00 0.00 O ATOM 842 OD2 ASP A 56 -9.970 2.332 12.505 1.00 0.00 O ATOM 0 H ASP A 56 -9.281 1.198 9.257 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.860 0.112 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.481 1.192 12.310 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.865 2.251 10.967 1.00 0.00 H new ATOM 847 N ALA A 57 -8.242 -1.201 12.482 1.00 0.00 N ATOM 848 CA ALA A 57 -8.568 -2.417 13.222 1.00 0.00 C ATOM 849 C ALA A 57 -9.044 -2.092 14.639 1.00 0.00 C ATOM 850 O ALA A 57 -10.199 -2.335 14.981 1.00 0.00 O ATOM 851 CB ALA A 57 -7.337 -3.324 13.286 1.00 0.00 C ATOM 0 H ALA A 57 -7.991 -0.403 13.065 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.377 -2.928 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.582 -4.231 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.026 -3.588 12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.525 -2.800 13.790 1.00 0.00 H new ATOM 857 N ASP A 58 -8.147 -1.551 15.468 1.00 0.00 N ATOM 858 CA ASP A 58 -8.494 -1.209 16.856 1.00 0.00 C ATOM 859 C ASP A 58 -8.801 0.279 17.004 1.00 0.00 C ATOM 860 O ASP A 58 -8.880 0.793 18.121 1.00 0.00 O ATOM 861 CB ASP A 58 -7.341 -1.590 17.787 1.00 0.00 C ATOM 862 CG ASP A 58 -6.045 -0.922 17.336 1.00 0.00 C ATOM 863 OD1 ASP A 58 -6.056 -0.294 16.291 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.059 -1.046 18.046 1.00 0.00 O ATOM 0 H ASP A 58 -7.183 -1.341 15.209 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.389 -1.769 17.126 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.576 -1.289 18.808 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.215 -2.673 17.795 1.00 0.00 H new ATOM 869 N GLY A 59 -8.958 0.971 15.880 1.00 0.00 N ATOM 870 CA GLY A 59 -9.243 2.403 15.913 1.00 0.00 C ATOM 871 C GLY A 59 -7.976 3.173 16.256 1.00 0.00 C ATOM 872 O GLY A 59 -8.026 4.334 16.666 1.00 0.00 O ATOM 0 H GLY A 59 -8.894 0.570 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.627 2.729 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.018 2.612 16.651 1.00 0.00 H new ATOM 876 N ASN A 60 -6.837 2.505 16.087 1.00 0.00 N ATOM 877 CA ASN A 60 -5.530 3.098 16.377 1.00 0.00 C ATOM 878 C ASN A 60 -4.776 3.387 15.077 1.00 0.00 C ATOM 879 O ASN A 60 -3.650 3.888 15.103 1.00 0.00 O ATOM 880 CB ASN A 60 -4.729 2.126 17.251 1.00 0.00 C ATOM 881 CG ASN A 60 -3.614 2.859 17.991 1.00 0.00 C ATOM 882 OD1 ASN A 60 -3.363 2.553 19.237 1.00 0.00 O flip ATOM 883 ND2 ASN A 60 -2.957 3.731 17.420 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.792 1.544 15.748 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.666 4.041 16.907 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.392 1.643 17.969 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.303 1.338 16.630 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.157 3.966 16.448 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.213 4.218 17.920 1.00 0.00 H new ATOM 890 N GLY A 61 -5.406 3.059 13.946 1.00 0.00 N ATOM 891 CA GLY A 61 -4.794 3.281 12.637 1.00 0.00 C ATOM 892 C GLY A 61 -3.664 2.302 12.434 1.00 0.00 C ATOM 893 O GLY A 61 -3.372 1.551 13.351 1.00 0.00 O ATOM 0 H GLY A 61 -6.336 2.641 13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.539 3.160 11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.420 4.303 12.568 1.00 0.00 H new ATOM 897 N THR A 62 -3.038 2.322 11.241 1.00 0.00 N ATOM 898 CA THR A 62 -1.922 1.438 10.912 1.00 0.00 C ATOM 899 C THR A 62 -2.405 0.160 10.242 1.00 0.00 C ATOM 900 O THR A 62 -3.404 -0.425 10.649 1.00 0.00 O ATOM 901 CB THR A 62 -1.087 1.115 12.158 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.785 0.185 12.985 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.792 2.416 12.948 1.00 0.00 C ATOM 0 H THR A 62 -3.298 2.954 10.484 1.00 0.00 H new ATOM 0 HA THR A 62 -1.285 1.967 10.203 1.00 0.00 H new ATOM 0 HB THR A 62 -0.142 0.669 11.848 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.536 0.637 13.424 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.199 2.179 13.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.238 3.109 12.314 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.731 2.876 13.255 1.00 0.00 H new ATOM 911 N ILE A 63 -1.679 -0.269 9.203 1.00 0.00 N ATOM 912 CA ILE A 63 -2.037 -1.488 8.469 1.00 0.00 C ATOM 913 C ILE A 63 -1.075 -2.617 8.824 1.00 0.00 C ATOM 914 O ILE A 63 0.139 -2.412 8.898 1.00 0.00 O ATOM 915 CB ILE A 63 -1.987 -1.241 6.963 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.794 0.016 6.618 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.586 -2.444 6.226 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.203 -0.070 7.214 1.00 0.00 C ATOM 0 H ILE A 63 -0.846 0.206 8.854 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.051 -1.770 8.752 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.950 -1.103 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.284 0.899 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.857 0.129 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.550 -2.267 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.013 -3.340 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.622 -2.582 6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.761 0.831 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.717 -0.942 6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.135 -0.160 8.298 1.00 0.00 H new ATOM 930 N ASP A 64 -1.632 -3.802 9.063 1.00 0.00 N ATOM 931 CA ASP A 64 -0.830 -4.970 9.432 1.00 0.00 C ATOM 932 C ASP A 64 -0.479 -5.819 8.207 1.00 0.00 C ATOM 933 O ASP A 64 -0.908 -5.531 7.089 1.00 0.00 O ATOM 934 CB ASP A 64 -1.598 -5.816 10.444 1.00 0.00 C ATOM 935 CG ASP A 64 -1.712 -5.062 11.766 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.985 -4.100 11.943 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.527 -5.459 12.582 1.00 0.00 O ATOM 0 H ASP A 64 -2.635 -3.981 9.008 1.00 0.00 H new ATOM 0 HA ASP A 64 0.102 -4.617 9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.591 -6.047 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.087 -6.766 10.599 1.00 0.00 H new ATOM 942 N PHE A 65 0.314 -6.860 8.440 1.00 0.00 N ATOM 943 CA PHE A 65 0.750 -7.765 7.377 1.00 0.00 C ATOM 944 C PHE A 65 -0.438 -8.316 6.567 1.00 0.00 C ATOM 945 O PHE A 65 -0.559 -8.040 5.366 1.00 0.00 O ATOM 946 CB PHE A 65 1.555 -8.935 8.006 1.00 0.00 C ATOM 947 CG PHE A 65 3.034 -8.668 7.924 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.533 -7.428 8.321 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.901 -9.660 7.453 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.901 -7.176 8.248 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.269 -9.409 7.378 1.00 0.00 C ATOM 952 CZ PHE A 65 5.773 -8.165 7.776 1.00 0.00 C ATOM 0 H PHE A 65 0.672 -7.101 9.364 1.00 0.00 H new ATOM 0 HA PHE A 65 1.379 -7.203 6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.261 -9.066 9.047 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.319 -9.865 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.861 -6.665 8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.510 -10.619 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.290 -6.217 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.940 -10.173 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.833 -7.968 7.719 1.00 0.00 H new ATOM 962 N PRO A 66 -1.288 -9.113 7.179 1.00 0.00 N ATOM 963 CA PRO A 66 -2.453 -9.737 6.477 1.00 0.00 C ATOM 964 C PRO A 66 -3.405 -8.710 5.869 1.00 0.00 C ATOM 965 O PRO A 66 -3.855 -8.866 4.733 1.00 0.00 O ATOM 966 CB PRO A 66 -3.156 -10.555 7.583 1.00 0.00 C ATOM 967 CG PRO A 66 -2.659 -9.992 8.877 1.00 0.00 C ATOM 968 CD PRO A 66 -1.246 -9.502 8.600 1.00 0.00 C ATOM 0 HA PRO A 66 -2.130 -10.341 5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.240 -10.466 7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.916 -11.615 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.296 -9.176 9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.664 -10.750 9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.981 -8.660 9.239 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.508 -10.283 8.780 1.00 0.00 H new ATOM 976 N GLU A 67 -3.709 -7.672 6.632 1.00 0.00 N ATOM 977 CA GLU A 67 -4.622 -6.641 6.168 1.00 0.00 C ATOM 978 C GLU A 67 -4.244 -6.164 4.774 1.00 0.00 C ATOM 979 O GLU A 67 -5.067 -6.179 3.857 1.00 0.00 O ATOM 980 CB GLU A 67 -4.590 -5.461 7.132 1.00 0.00 C ATOM 981 CG GLU A 67 -5.203 -5.881 8.465 1.00 0.00 C ATOM 982 CD GLU A 67 -5.071 -4.748 9.477 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.512 -3.726 9.119 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.532 -4.920 10.593 1.00 0.00 O ATOM 0 H GLU A 67 -3.339 -7.522 7.571 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.626 -7.064 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.563 -5.126 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.143 -4.620 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.254 -6.137 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.704 -6.775 8.839 1.00 0.00 H new ATOM 991 N PHE A 68 -2.998 -5.734 4.622 1.00 0.00 N ATOM 992 CA PHE A 68 -2.526 -5.248 3.334 1.00 0.00 C ATOM 993 C PHE A 68 -2.612 -6.347 2.283 1.00 0.00 C ATOM 994 O PHE A 68 -3.142 -6.145 1.187 1.00 0.00 O ATOM 995 CB PHE A 68 -1.084 -4.773 3.462 1.00 0.00 C ATOM 996 CG PHE A 68 -0.645 -4.133 2.166 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.295 -4.933 1.070 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.583 -2.737 2.061 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.115 -4.340 -0.128 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.173 -2.146 0.861 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.177 -2.948 -0.232 1.00 0.00 C ATOM 0 H PHE A 68 -2.302 -5.712 5.368 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.158 -4.417 3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.997 -4.058 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.433 -5.614 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.342 -6.009 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.851 -2.119 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.384 -4.957 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.126 -1.070 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.495 -2.490 -1.157 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.095 -7.514 2.631 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.111 -8.649 1.723 1.00 0.00 C ATOM 1013 C LEU A 69 -3.532 -8.951 1.260 1.00 0.00 C ATOM 1014 O LEU A 69 -3.736 -9.499 0.179 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.501 -9.869 2.428 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.777 -11.174 1.627 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.564 -12.108 1.716 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.008 -11.901 2.202 1.00 0.00 C ATOM 0 H LEU A 69 -1.660 -7.700 3.534 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.518 -8.409 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.426 -9.728 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.918 -9.959 3.431 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.963 -10.908 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.765 -13.019 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.311 -11.609 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.375 -12.360 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.191 -12.813 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.826 -12.155 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.880 -11.250 2.134 1.00 0.00 H new ATOM 1030 N THR A 70 -4.514 -8.603 2.087 1.00 0.00 N ATOM 1031 CA THR A 70 -5.914 -8.845 1.752 1.00 0.00 C ATOM 1032 C THR A 70 -6.533 -7.686 0.971 1.00 0.00 C ATOM 1033 O THR A 70 -6.870 -7.823 -0.203 1.00 0.00 O ATOM 1034 CB THR A 70 -6.698 -9.091 3.037 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.043 -10.103 3.793 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.117 -9.542 2.697 1.00 0.00 C ATOM 0 H THR A 70 -4.367 -8.154 2.991 1.00 0.00 H new ATOM 0 HA THR A 70 -5.960 -9.722 1.107 1.00 0.00 H new ATOM 0 HB THR A 70 -6.747 -8.170 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.311 -9.704 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.674 -9.717 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.615 -8.768 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.077 -10.464 2.117 1.00 0.00 H new ATOM 1044 N MET A 71 -6.702 -6.553 1.643 1.00 0.00 N ATOM 1045 CA MET A 71 -7.307 -5.385 1.014 1.00 0.00 C ATOM 1046 C MET A 71 -6.695 -5.111 -0.356 1.00 0.00 C ATOM 1047 O MET A 71 -7.273 -4.376 -1.157 1.00 0.00 O ATOM 1048 CB MET A 71 -7.179 -4.143 1.922 1.00 0.00 C ATOM 1049 CG MET A 71 -5.807 -3.472 1.747 1.00 0.00 C ATOM 1050 SD MET A 71 -5.717 -1.996 2.792 1.00 0.00 S ATOM 1051 CE MET A 71 -5.675 -2.831 4.390 1.00 0.00 C ATOM 0 H MET A 71 -6.431 -6.418 2.617 1.00 0.00 H new ATOM 0 HA MET A 71 -8.366 -5.601 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.969 -3.431 1.684 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.315 -4.434 2.964 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.013 -4.169 2.015 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.654 -3.201 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.423 -2.112 5.170 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.652 -3.266 4.599 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.924 -3.621 4.368 1.00 0.00 H new ATOM 1061 N MET A 72 -5.527 -5.694 -0.628 1.00 0.00 N ATOM 1062 CA MET A 72 -4.872 -5.489 -1.919 1.00 0.00 C ATOM 1063 C MET A 72 -5.357 -6.509 -2.957 1.00 0.00 C ATOM 1064 O MET A 72 -5.302 -6.255 -4.161 1.00 0.00 O ATOM 1065 CB MET A 72 -3.357 -5.570 -1.743 1.00 0.00 C ATOM 1066 CG MET A 72 -2.903 -7.028 -1.628 1.00 0.00 C ATOM 1067 SD MET A 72 -2.522 -7.674 -3.275 1.00 0.00 S ATOM 1068 CE MET A 72 -1.616 -9.147 -2.738 1.00 0.00 C ATOM 0 H MET A 72 -5.022 -6.302 0.017 1.00 0.00 H new ATOM 0 HA MET A 72 -5.135 -4.498 -2.290 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.862 -5.095 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.060 -5.020 -0.850 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.024 -7.097 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.685 -7.628 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.281 -9.707 -3.611 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.751 -8.847 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.269 -9.776 -2.133 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.822 -7.661 -2.478 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.309 -8.726 -3.358 1.00 0.00 C ATOM 1080 C ALA A 73 -7.791 -8.547 -3.684 1.00 0.00 C ATOM 1081 O ALA A 73 -8.482 -9.513 -4.011 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.116 -10.076 -2.671 1.00 0.00 C ATOM 0 H ALA A 73 -5.873 -7.883 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.742 -8.682 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.477 -10.871 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.057 -10.230 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.675 -10.092 -1.736 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.273 -7.316 -3.589 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.676 -7.024 -3.873 1.00 0.00 C ATOM 1090 C ARG A 74 -9.881 -6.771 -5.365 1.00 0.00 C ATOM 1091 O ARG A 74 -10.997 -6.514 -5.816 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.120 -5.803 -3.060 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.204 -6.183 -1.577 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.548 -4.948 -0.748 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.854 -4.428 -1.131 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.309 -3.271 -0.647 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -11.591 -2.586 0.204 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.477 -2.822 -1.018 1.00 0.00 N ATOM 0 H ARG A 74 -7.718 -6.504 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.281 -7.885 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.414 -4.984 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.089 -5.451 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.961 -6.953 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.255 -6.603 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.547 -5.202 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.787 -4.181 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.432 -4.959 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.680 -2.936 0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.942 -1.702 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.042 -3.356 -1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.824 -1.937 -0.648 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.790 -6.857 -6.125 1.00 0.00 N ATOM 1113 CA LYS A 75 -8.839 -6.646 -7.577 1.00 0.00 C ATOM 1114 C LYS A 75 -9.020 -7.975 -8.309 1.00 0.00 C ATOM 1115 O LYS A 75 -8.563 -8.140 -9.440 1.00 0.00 O ATOM 1116 CB LYS A 75 -7.543 -5.969 -8.049 1.00 0.00 C ATOM 1117 CG LYS A 75 -7.773 -5.260 -9.391 1.00 0.00 C ATOM 1118 CD LYS A 75 -6.523 -4.467 -9.781 1.00 0.00 C ATOM 1119 CE LYS A 75 -6.736 -3.836 -11.159 1.00 0.00 C ATOM 1120 NZ LYS A 75 -7.876 -2.880 -11.096 1.00 0.00 N ATOM 0 H LYS A 75 -7.861 -7.071 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.690 -6.003 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.207 -5.249 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.753 -6.713 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.006 -5.992 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.630 -4.591 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.323 -3.693 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.653 -5.123 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.831 -3.319 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.938 -4.611 -11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.826 -2.227 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.772 -3.406 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.826 -2.339 -10.209 1.00 0.00 H new ATOM 1134 N MET A 76 -9.691 -8.917 -7.654 1.00 0.00 N ATOM 1135 CA MET A 76 -9.939 -10.236 -8.240 1.00 0.00 C ATOM 1136 C MET A 76 -11.433 -10.438 -8.472 1.00 0.00 C ATOM 1137 O MET A 76 -12.250 -10.202 -7.581 1.00 0.00 O ATOM 1138 CB MET A 76 -9.399 -11.326 -7.311 1.00 0.00 C ATOM 1139 CG MET A 76 -7.865 -11.291 -7.298 1.00 0.00 C ATOM 1140 SD MET A 76 -7.243 -12.541 -6.141 1.00 0.00 S ATOM 1141 CE MET A 76 -7.366 -13.976 -7.239 1.00 0.00 C ATOM 0 H MET A 76 -10.074 -8.795 -6.717 1.00 0.00 H new ATOM 0 HA MET A 76 -9.426 -10.299 -9.200 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.783 -11.178 -6.302 1.00 0.00 H new ATOM 0 HB3 MET A 76 -9.746 -12.304 -7.644 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.478 -11.481 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.515 -10.301 -7.004 1.00 0.00 H new ATOM 0 HE1 MET A 76 -7.874 -14.789 -6.720 1.00 0.00 H new ATOM 0 HE2 MET A 76 -7.932 -13.705 -8.130 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.366 -14.299 -7.529 1.00 0.00 H new ATOM 1151 N LYS A 77 -11.772 -10.877 -9.677 1.00 0.00 N ATOM 1152 CA LYS A 77 -13.163 -11.118 -10.042 1.00 0.00 C ATOM 1153 C LYS A 77 -13.750 -12.220 -9.163 1.00 0.00 C ATOM 1154 O LYS A 77 -14.429 -11.891 -8.205 1.00 0.00 O ATOM 1155 CB LYS A 77 -13.233 -11.528 -11.520 1.00 0.00 C ATOM 1156 CG LYS A 77 -14.691 -11.600 -12.010 1.00 0.00 C ATOM 1157 CD LYS A 77 -15.209 -10.193 -12.355 1.00 0.00 C ATOM 1158 CE LYS A 77 -16.589 -10.289 -13.017 1.00 0.00 C ATOM 1159 NZ LYS A 77 -17.073 -8.922 -13.363 1.00 0.00 N ATOM 1160 OXT LYS A 77 -13.506 -13.378 -9.460 1.00 0.00 O ATOM 0 H LYS A 77 -11.102 -11.074 -10.420 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.742 -10.207 -9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.678 -10.811 -12.125 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.753 -12.498 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.756 -12.244 -12.887 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.319 -12.047 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.272 -9.588 -11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.509 -9.693 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.531 -10.903 -13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.294 -10.776 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.009 -8.988 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.144 -8.349 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.404 -8.473 -14.021 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -10.885 11.769 -7.536 1.00 0.00 N ATOM 1176 CA GLY B 45 -11.737 10.599 -7.880 1.00 0.00 C ATOM 1177 C GLY B 45 -10.878 9.341 -7.980 1.00 0.00 C ATOM 1178 O GLY B 45 -10.833 8.697 -9.028 1.00 0.00 O ATOM 0 HA2 GLY B 45 -12.508 10.464 -7.121 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -12.249 10.776 -8.826 1.00 0.00 H new ATOM 1184 N THR B 46 -10.200 8.990 -6.883 1.00 0.00 N ATOM 1185 CA THR B 46 -9.346 7.793 -6.856 1.00 0.00 C ATOM 1186 C THR B 46 -9.813 6.830 -5.771 1.00 0.00 C ATOM 1187 O THR B 46 -9.958 7.204 -4.606 1.00 0.00 O ATOM 1188 CB THR B 46 -7.883 8.188 -6.609 1.00 0.00 C ATOM 1189 OG1 THR B 46 -7.432 9.020 -7.667 1.00 0.00 O ATOM 1190 CG2 THR B 46 -7.008 6.934 -6.546 1.00 0.00 C ATOM 0 H THR B 46 -10.224 9.512 -6.007 1.00 0.00 H new ATOM 0 HA THR B 46 -9.420 7.296 -7.823 1.00 0.00 H new ATOM 0 HB THR B 46 -7.814 8.725 -5.663 1.00 0.00 H new ATOM 0 HG1 THR B 46 -6.499 9.274 -7.509 1.00 0.00 H new ATOM 0 HG21 THR B 46 -5.971 7.222 -6.371 1.00 0.00 H new ATOM 0 HG22 THR B 46 -7.349 6.293 -5.733 1.00 0.00 H new ATOM 0 HG23 THR B 46 -7.079 6.393 -7.489 1.00 0.00 H new ATOM 1198 N GLY B 47 -10.056 5.585 -6.171 1.00 0.00 N ATOM 1199 CA GLY B 47 -10.514 4.560 -5.241 1.00 0.00 C ATOM 1200 C GLY B 47 -9.368 4.062 -4.363 1.00 0.00 C ATOM 1201 O GLY B 47 -8.194 4.241 -4.691 1.00 0.00 O ATOM 0 H GLY B 47 -9.943 5.263 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.308 4.963 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.940 3.725 -5.797 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.726 3.447 -3.238 1.00 0.00 N ATOM 1206 CA ALA B 48 -8.739 2.932 -2.290 1.00 0.00 C ATOM 1207 C ALA B 48 -7.811 1.888 -2.927 1.00 0.00 C ATOM 1208 O ALA B 48 -6.585 1.982 -2.807 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.479 2.312 -1.099 1.00 0.00 C ATOM 0 H ALA B 48 -10.695 3.293 -2.960 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.112 3.762 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.755 1.923 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.094 3.072 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.115 1.499 -1.449 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.393 0.894 -3.597 1.00 0.00 N ATOM 1216 CA ALA B 49 -7.602 -0.161 -4.235 1.00 0.00 C ATOM 1217 C ALA B 49 -6.715 0.410 -5.338 1.00 0.00 C ATOM 1218 O ALA B 49 -5.557 0.015 -5.489 1.00 0.00 O ATOM 1219 CB ALA B 49 -8.540 -1.216 -4.826 1.00 0.00 C ATOM 0 H ALA B 49 -9.402 0.796 -3.712 1.00 0.00 H new ATOM 0 HA ALA B 49 -6.961 -0.615 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -7.951 -2.001 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.148 -1.648 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.190 -0.751 -5.567 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.265 1.348 -6.100 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.525 1.983 -7.183 1.00 0.00 C ATOM 1227 C LEU B 50 -5.330 2.747 -6.625 1.00 0.00 C ATOM 1228 O LEU B 50 -4.243 2.741 -7.206 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.449 2.937 -7.950 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.664 3.708 -9.023 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -5.959 2.725 -9.967 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.632 4.579 -9.830 1.00 0.00 C ATOM 0 H LEU B 50 -8.221 1.685 -5.988 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.160 1.214 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.255 2.372 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.912 3.639 -7.256 1.00 0.00 H new ATOM 0 HG LEU B 50 -5.917 4.336 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -5.405 3.281 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -5.269 2.104 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -6.701 2.091 -10.453 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.079 5.128 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -8.379 3.945 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.128 5.285 -9.164 1.00 0.00 H new ATOM 1244 N SER B 51 -5.548 3.412 -5.498 1.00 0.00 N ATOM 1245 CA SER B 51 -4.497 4.187 -4.857 1.00 0.00 C ATOM 1246 C SER B 51 -3.339 3.282 -4.466 1.00 0.00 C ATOM 1247 O SER B 51 -2.172 3.609 -4.687 1.00 0.00 O ATOM 1248 CB SER B 51 -5.058 4.865 -3.608 1.00 0.00 C ATOM 1249 OG SER B 51 -3.989 5.399 -2.842 1.00 0.00 O ATOM 0 H SER B 51 -6.443 3.430 -5.010 1.00 0.00 H new ATOM 0 HA SER B 51 -4.135 4.941 -5.556 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.749 5.659 -3.891 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.623 4.147 -3.014 1.00 0.00 H new ATOM 0 HG SER B 51 -4.347 5.836 -2.041 1.00 0.00 H new ATOM 1255 N TRP B 52 -3.679 2.136 -3.890 1.00 0.00 N ATOM 1256 CA TRP B 52 -2.674 1.174 -3.472 1.00 0.00 C ATOM 1257 C TRP B 52 -1.898 0.652 -4.684 1.00 0.00 C ATOM 1258 O TRP B 52 -0.670 0.584 -4.662 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.357 0.011 -2.743 1.00 0.00 C ATOM 1260 CG TRP B 52 -3.723 0.417 -1.344 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -4.985 0.466 -0.853 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -2.846 0.832 -0.253 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -4.936 0.876 0.467 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.641 1.113 0.884 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.452 0.987 -0.139 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.075 1.530 2.091 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -0.879 1.406 1.072 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.686 1.675 2.184 1.00 0.00 C ATOM 0 H TRP B 52 -4.641 1.853 -3.703 1.00 0.00 H new ATOM 0 HA TRP B 52 -1.970 1.662 -2.798 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.251 -0.293 -3.287 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -2.691 -0.852 -2.716 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -5.883 0.224 -1.403 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.757 0.990 1.061 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -0.818 0.782 -0.989 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.703 1.739 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 0.192 1.522 1.146 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.237 1.994 3.113 1.00 0.00 H new ATOM 1279 N GLN B 53 -2.625 0.283 -5.738 1.00 0.00 N ATOM 1280 CA GLN B 53 -1.995 -0.237 -6.952 1.00 0.00 C ATOM 1281 C GLN B 53 -1.140 0.831 -7.642 1.00 0.00 C ATOM 1282 O GLN B 53 -0.033 0.547 -8.100 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.073 -0.737 -7.923 1.00 0.00 C ATOM 1284 CG GLN B 53 -2.407 -1.310 -9.176 1.00 0.00 C ATOM 1285 CD GLN B 53 -3.450 -1.979 -10.066 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -4.550 -2.288 -9.611 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -3.162 -2.224 -11.319 1.00 0.00 N ATOM 0 H GLN B 53 -3.643 0.334 -5.777 1.00 0.00 H new ATOM 0 HA GLN B 53 -1.343 -1.061 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -3.684 -1.500 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.740 0.081 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.905 -0.514 -9.726 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.642 -2.033 -8.892 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.248 -1.966 -11.692 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.851 -2.673 -11.922 1.00 0.00 H new ATOM 1296 N ALA B 54 -1.661 2.054 -7.723 1.00 0.00 N ATOM 1297 CA ALA B 54 -0.935 3.144 -8.374 1.00 0.00 C ATOM 1298 C ALA B 54 0.382 3.437 -7.654 1.00 0.00 C ATOM 1299 O ALA B 54 1.393 3.735 -8.292 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.800 4.407 -8.394 1.00 0.00 C ATOM 0 H ALA B 54 -2.574 2.314 -7.350 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.709 2.837 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.253 5.215 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.720 4.209 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.044 4.697 -7.372 1.00 0.00 H new ATOM 1306 N ALA B 55 0.363 3.353 -6.328 1.00 0.00 N ATOM 1307 CA ALA B 55 1.562 3.613 -5.535 1.00 0.00 C ATOM 1308 C ALA B 55 2.634 2.557 -5.812 1.00 0.00 C ATOM 1309 O ALA B 55 3.822 2.873 -5.893 1.00 0.00 O ATOM 1310 CB ALA B 55 1.207 3.609 -4.049 1.00 0.00 C ATOM 0 H ALA B 55 -0.463 3.109 -5.781 1.00 0.00 H new ATOM 0 HA ALA B 55 1.957 4.590 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA B 55 2.104 3.803 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.467 4.384 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.797 2.637 -3.776 1.00 0.00 H new ATOM 1316 N ILE B 56 2.201 1.308 -5.957 1.00 0.00 N ATOM 1317 CA ILE B 56 3.123 0.209 -6.227 1.00 0.00 C ATOM 1318 C ILE B 56 3.792 0.390 -7.590 1.00 0.00 C ATOM 1319 O ILE B 56 4.999 0.196 -7.732 1.00 0.00 O ATOM 1320 CB ILE B 56 2.359 -1.122 -6.196 1.00 0.00 C ATOM 1321 CG1 ILE B 56 1.899 -1.407 -4.764 1.00 0.00 C ATOM 1322 CG2 ILE B 56 3.267 -2.260 -6.673 1.00 0.00 C ATOM 1323 CD1 ILE B 56 0.923 -2.587 -4.757 1.00 0.00 C ATOM 0 H ILE B 56 1.221 1.032 -5.892 1.00 0.00 H new ATOM 0 HA ILE B 56 3.897 0.204 -5.459 1.00 0.00 H new ATOM 0 HB ILE B 56 1.495 -1.054 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE B 56 2.760 -1.632 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE B 56 1.418 -0.523 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.716 -3.200 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.596 -2.060 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE B 56 4.136 -2.331 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE B 56 0.599 -2.785 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE B 56 0.056 -2.346 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE B 56 1.418 -3.471 -5.159 1.00 0.00 H new ATOM 1335 N ASP B 57 2.996 0.760 -8.587 1.00 0.00 N ATOM 1336 CA ASP B 57 3.511 0.960 -9.936 1.00 0.00 C ATOM 1337 C ASP B 57 4.563 2.066 -9.956 1.00 0.00 C ATOM 1338 O ASP B 57 5.646 1.899 -10.523 1.00 0.00 O ATOM 1339 CB ASP B 57 2.353 1.323 -10.870 1.00 0.00 C ATOM 1340 CG ASP B 57 1.476 0.097 -11.111 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.893 -0.989 -10.740 1.00 0.00 O ATOM 1342 OD2 ASP B 57 0.398 0.260 -11.659 1.00 0.00 O ATOM 0 H ASP B 57 1.995 0.927 -8.487 1.00 0.00 H new ATOM 0 HA ASP B 57 3.982 0.037 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.759 2.125 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP B 57 2.742 1.695 -11.818 1.00 0.00 H new ATOM 1347 N ALA B 58 4.243 3.191 -9.327 1.00 0.00 N ATOM 1348 CA ALA B 58 5.170 4.313 -9.273 1.00 0.00 C ATOM 1349 C ALA B 58 6.368 3.976 -8.383 1.00 0.00 C ATOM 1350 O ALA B 58 7.507 4.322 -8.702 1.00 0.00 O ATOM 1351 CB ALA B 58 4.447 5.558 -8.747 1.00 0.00 C ATOM 0 H ALA B 58 3.355 3.349 -8.851 1.00 0.00 H new ATOM 0 HA ALA B 58 5.538 4.515 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.145 6.395 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.619 5.806 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.062 5.360 -7.747 1.00 0.00 H new ATOM 1357 N ALA B 59 6.102 3.294 -7.272 1.00 0.00 N ATOM 1358 CA ALA B 59 7.163 2.908 -6.349 1.00 0.00 C ATOM 1359 C ALA B 59 8.125 1.942 -7.030 1.00 0.00 C ATOM 1360 O ALA B 59 9.341 2.035 -6.863 1.00 0.00 O ATOM 1361 CB ALA B 59 6.553 2.252 -5.105 1.00 0.00 C ATOM 0 H ALA B 59 5.167 2.999 -6.991 1.00 0.00 H new ATOM 0 HA ALA B 59 7.715 3.799 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA B 59 7.349 1.965 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.885 2.958 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.991 1.366 -5.400 1.00 0.00 H new ATOM 1367 N ARG B 60 7.566 1.017 -7.802 1.00 0.00 N ATOM 1368 CA ARG B 60 8.369 0.038 -8.514 1.00 0.00 C ATOM 1369 C ARG B 60 9.296 0.721 -9.516 1.00 0.00 C ATOM 1370 O ARG B 60 10.484 0.404 -9.590 1.00 0.00 O ATOM 1371 CB ARG B 60 7.448 -0.928 -9.253 1.00 0.00 C ATOM 1372 CG ARG B 60 8.243 -2.161 -9.724 1.00 0.00 C ATOM 1373 CD ARG B 60 8.218 -3.224 -8.628 1.00 0.00 C ATOM 1374 NE ARG B 60 6.844 -3.623 -8.352 1.00 0.00 N ATOM 1375 CZ ARG B 60 6.233 -4.559 -9.072 1.00 0.00 C ATOM 1376 NH1 ARG B 60 6.833 -5.110 -10.097 1.00 0.00 N ATOM 1377 NH2 ARG B 60 5.017 -4.916 -8.759 1.00 0.00 N ATOM 0 H ARG B 60 6.561 0.927 -7.949 1.00 0.00 H new ATOM 0 HA ARG B 60 8.979 -0.504 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG B 60 6.634 -1.239 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.996 -0.428 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.811 -2.558 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG B 60 9.271 -1.880 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG B 60 8.802 -4.091 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG B 60 8.681 -2.835 -7.722 1.00 0.00 H new ATOM 0 HE ARG B 60 6.339 -3.174 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.778 -4.822 -10.350 1.00 0.00 H new ATOM 0 HH12 ARG B 60 6.355 -5.827 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.544 -4.478 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG B 60 4.539 -5.633 -9.305 1.00 0.00 H new ATOM 1391 N GLN B 61 8.748 1.661 -10.283 1.00 0.00 N ATOM 1392 CA GLN B 61 9.544 2.380 -11.273 1.00 0.00 C ATOM 1393 C GLN B 61 10.612 3.211 -10.567 1.00 0.00 C ATOM 1394 O GLN B 61 11.749 3.306 -11.032 1.00 0.00 O ATOM 1395 CB GLN B 61 8.640 3.291 -12.111 1.00 0.00 C ATOM 1396 CG GLN B 61 9.427 3.861 -13.296 1.00 0.00 C ATOM 1397 CD GLN B 61 9.777 2.753 -14.286 1.00 0.00 C ATOM 1398 OE1 GLN B 61 10.953 2.442 -14.477 1.00 0.00 O ATOM 1399 NE2 GLN B 61 8.823 2.139 -14.933 1.00 0.00 N ATOM 0 H GLN B 61 7.768 1.940 -10.239 1.00 0.00 H new ATOM 0 HA GLN B 61 10.028 1.661 -11.934 1.00 0.00 H new ATOM 0 HB2 GLN B 61 7.778 2.730 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN B 61 8.256 4.103 -11.494 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.838 4.630 -13.795 1.00 0.00 H new ATOM 0 HG3 GLN B 61 10.339 4.339 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN B 61 7.850 2.398 -14.773 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.051 1.400 -15.598 1.00 0.00 H new ATOM 1408 N ALA B 62 10.235 3.801 -9.436 1.00 0.00 N ATOM 1409 CA ALA B 62 11.163 4.616 -8.659 1.00 0.00 C ATOM 1410 C ALA B 62 12.312 3.759 -8.134 1.00 0.00 C ATOM 1411 O ALA B 62 13.466 4.187 -8.133 1.00 0.00 O ATOM 1412 CB ALA B 62 10.425 5.264 -7.485 1.00 0.00 C ATOM 0 H ALA B 62 9.298 3.730 -9.039 1.00 0.00 H new ATOM 0 HA ALA B 62 11.571 5.394 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.122 5.872 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.621 5.895 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.005 4.487 -6.846 1.00 0.00 H new ATOM 1418 N LYS B 63 11.987 2.544 -7.701 1.00 0.00 N ATOM 1419 CA LYS B 63 12.997 1.626 -7.185 1.00 0.00 C ATOM 1420 C LYS B 63 13.997 1.261 -8.280 1.00 0.00 C ATOM 1421 O LYS B 63 15.204 1.206 -8.040 1.00 0.00 O ATOM 1422 CB LYS B 63 12.326 0.355 -6.653 1.00 0.00 C ATOM 1423 CG LYS B 63 13.381 -0.566 -6.031 1.00 0.00 C ATOM 1424 CD LYS B 63 12.698 -1.807 -5.456 1.00 0.00 C ATOM 1425 CE LYS B 63 13.745 -2.722 -4.821 1.00 0.00 C ATOM 1426 NZ LYS B 63 13.070 -3.913 -4.238 1.00 0.00 N ATOM 0 H LYS B 63 11.037 2.174 -7.697 1.00 0.00 H new ATOM 0 HA LYS B 63 13.531 2.119 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS B 63 11.572 0.614 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS B 63 11.811 -0.162 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS B 63 14.114 -0.857 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.922 -0.039 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.957 -1.515 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.165 -2.339 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS B 63 14.474 -3.033 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.292 -2.185 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.780 -4.537 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.390 -3.607 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 12.567 -4.429 -4.988 1.00 0.00 H new ATOM 1440 N LEU B 64 13.484 0.998 -9.479 1.00 0.00 N ATOM 1441 CA LEU B 64 14.338 0.623 -10.603 1.00 0.00 C ATOM 1442 C LEU B 64 15.306 1.747 -10.958 1.00 0.00 C ATOM 1443 O LEU B 64 16.486 1.500 -11.210 1.00 0.00 O ATOM 1444 CB LEU B 64 13.464 0.290 -11.817 1.00 0.00 C ATOM 1445 CG LEU B 64 12.674 -1.004 -11.551 1.00 0.00 C ATOM 1446 CD1 LEU B 64 11.619 -1.196 -12.649 1.00 0.00 C ATOM 1447 CD2 LEU B 64 13.623 -2.224 -11.529 1.00 0.00 C ATOM 0 H LEU B 64 12.488 1.037 -9.697 1.00 0.00 H new ATOM 0 HA LEU B 64 14.923 -0.250 -10.316 1.00 0.00 H new ATOM 0 HB2 LEU B 64 12.777 1.112 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU B 64 14.087 0.171 -12.704 1.00 0.00 H new ATOM 0 HG LEU B 64 12.185 -0.922 -10.580 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.060 -2.112 -12.460 1.00 0.00 H new ATOM 0 HD12 LEU B 64 10.935 -0.347 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.112 -1.265 -13.619 1.00 0.00 H new ATOM 0 HD21 LEU B 64 13.047 -3.130 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU B 64 14.128 -2.310 -12.491 1.00 0.00 H new ATOM 0 HD23 LEU B 64 14.364 -2.094 -10.741 1.00 0.00 H new ATOM 1459 N MET B 65 14.806 2.976 -10.978 1.00 0.00 N ATOM 1460 CA MET B 65 15.641 4.128 -11.307 1.00 0.00 C ATOM 1461 C MET B 65 16.704 4.358 -10.232 1.00 0.00 C ATOM 1462 O MET B 65 17.832 4.736 -10.542 1.00 0.00 O ATOM 1463 CB MET B 65 14.771 5.378 -11.461 1.00 0.00 C ATOM 1464 CG MET B 65 14.035 5.330 -12.804 1.00 0.00 C ATOM 1465 SD MET B 65 13.132 6.881 -13.052 1.00 0.00 S ATOM 1466 CE MET B 65 11.916 6.663 -11.733 1.00 0.00 C ATOM 0 H MET B 65 13.833 3.202 -10.772 1.00 0.00 H new ATOM 0 HA MET B 65 16.148 3.925 -12.250 1.00 0.00 H new ATOM 0 HB2 MET B 65 14.053 5.436 -10.643 1.00 0.00 H new ATOM 0 HB3 MET B 65 15.390 6.273 -11.406 1.00 0.00 H new ATOM 0 HG2 MET B 65 14.746 5.177 -13.616 1.00 0.00 H new ATOM 0 HG3 MET B 65 13.344 4.487 -12.822 1.00 0.00 H new ATOM 0 HE1 MET B 65 11.013 7.224 -11.974 1.00 0.00 H new ATOM 0 HE2 MET B 65 11.671 5.605 -11.636 1.00 0.00 H new ATOM 0 HE3 MET B 65 12.330 7.028 -10.793 1.00 0.00 H new ATOM 1476 N GLY B 66 16.339 4.124 -8.974 1.00 0.00 N ATOM 1477 CA GLY B 66 17.276 4.305 -7.862 1.00 0.00 C ATOM 1478 C GLY B 66 17.168 5.701 -7.249 1.00 0.00 C ATOM 1479 O GLY B 66 17.996 6.084 -6.423 1.00 0.00 O ATOM 0 H GLY B 66 15.409 3.811 -8.697 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.079 3.555 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY B 66 18.294 4.141 -8.215 1.00 0.00 H new ATOM 1483 N SER B 67 16.144 6.458 -7.644 1.00 0.00 N ATOM 1484 CA SER B 67 15.944 7.810 -7.110 1.00 0.00 C ATOM 1485 C SER B 67 14.471 8.049 -6.803 1.00 0.00 C ATOM 1486 O SER B 67 13.593 7.651 -7.569 1.00 0.00 O ATOM 1487 CB SER B 67 16.432 8.852 -8.116 1.00 0.00 C ATOM 1488 OG SER B 67 16.412 10.137 -7.508 1.00 0.00 O ATOM 0 H SER B 67 15.445 6.164 -8.326 1.00 0.00 H new ATOM 0 HA SER B 67 16.518 7.903 -6.188 1.00 0.00 H new ATOM 0 HB2 SER B 67 17.442 8.609 -8.447 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.796 8.846 -9.001 1.00 0.00 H new ATOM 0 HG SER B 67 16.726 10.808 -8.150 1.00 0.00 H new ATOM 1494 N ALA B 68 14.211 8.705 -5.673 1.00 0.00 N ATOM 1495 CA ALA B 68 12.842 9.004 -5.255 1.00 0.00 C ATOM 1496 C ALA B 68 12.445 10.407 -5.699 1.00 0.00 C ATOM 1497 O ALA B 68 11.272 10.728 -5.606 1.00 0.00 O ATOM 1498 CB ALA B 68 12.737 8.900 -3.732 1.00 0.00 C ATOM 1499 OXT ALA B 68 13.321 11.140 -6.129 1.00 0.00 O ATOM 0 H ALA B 68 14.930 9.039 -5.031 1.00 0.00 H new ATOM 0 HA ALA B 68 12.168 8.284 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA B 68 11.716 9.123 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA B 68 12.999 7.890 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA B 68 13.420 9.613 -3.271 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.804 2.001 11.491 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.564 -2.675 12.162 1.00 0.00 CA