USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 162:sc= -0.0792 (180deg=-0.525) USER MOD Single : A 3 GLN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0.582 (180deg=-0.25) USER MOD Single : A 26 THR OG1 : rot 27:sc= -0.389 USER MOD Single : A 28 THR OG1 : rot 117:sc= 0.234 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.03 K(o=-1,f=-0.31) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 49 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.001) USER MOD Single : A 53 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 87:sc= -0.479 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 166:sc= 0 (180deg=-0.0485) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.631 4.076 -1.753 1.00 5.59 N ATOM 2 CA ALA A 1 -17.931 3.707 -0.534 1.00 4.88 C ATOM 3 C ALA A 1 -17.576 4.973 0.248 1.00 3.99 C ATOM 4 O ALA A 1 -16.587 4.999 0.979 1.00 4.63 O ATOM 5 CB ALA A 1 -16.697 2.874 -0.886 1.00 5.78 C ATOM 0 H1 ALA A 1 -18.606 3.280 -2.422 1.00 5.59 H new ATOM 0 H2 ALA A 1 -19.620 4.309 -1.529 1.00 5.59 H new ATOM 0 H3 ALA A 1 -18.169 4.904 -2.182 1.00 5.59 H new ATOM 0 HA ALA A 1 -18.568 3.093 0.103 1.00 4.88 H new ATOM 0 HB1 ALA A 1 -16.172 2.597 0.028 1.00 5.78 H new ATOM 0 HB2 ALA A 1 -17.006 1.972 -1.414 1.00 5.78 H new ATOM 0 HB3 ALA A 1 -16.033 3.458 -1.523 1.00 5.78 H new ATOM 11 N ASP A 2 -18.403 5.993 0.067 1.00 3.73 N ATOM 12 CA ASP A 2 -18.188 7.260 0.747 1.00 4.25 C ATOM 13 C ASP A 2 -18.390 7.067 2.251 1.00 3.47 C ATOM 14 O ASP A 2 -18.099 7.965 3.040 1.00 4.85 O ATOM 15 CB ASP A 2 -19.184 8.317 0.268 1.00 5.18 C ATOM 16 CG ASP A 2 -18.554 9.570 -0.344 1.00 6.84 C ATOM 17 OD1 ASP A 2 -17.358 9.799 -0.060 1.00 7.89 O ATOM 18 OD2 ASP A 2 -19.281 10.270 -1.081 1.00 7.41 O ATOM 0 H ASP A 2 -19.222 5.968 -0.540 1.00 3.73 H new ATOM 0 HA ASP A 2 -17.174 7.594 0.527 1.00 4.25 H new ATOM 0 HB2 ASP A 2 -19.845 7.863 -0.471 1.00 5.18 H new ATOM 0 HB3 ASP A 2 -19.806 8.617 1.111 1.00 5.18 H new ATOM 23 N GLN A 3 -18.887 5.890 2.603 1.00 1.95 N ATOM 24 CA GLN A 3 -19.131 5.568 3.999 1.00 2.19 C ATOM 25 C GLN A 3 -17.806 5.348 4.732 1.00 1.81 C ATOM 26 O GLN A 3 -17.701 5.623 5.927 1.00 2.71 O ATOM 27 CB GLN A 3 -20.039 4.344 4.128 1.00 2.82 C ATOM 28 CG GLN A 3 -21.101 4.561 5.208 1.00 4.20 C ATOM 29 CD GLN A 3 -20.722 3.839 6.503 1.00 5.49 C ATOM 30 OE1 GLN A 3 -21.064 2.689 6.726 1.00 6.00 O ATOM 31 NE2 GLN A 3 -19.998 4.575 7.341 1.00 6.73 N ATOM 0 H GLN A 3 -19.127 5.148 1.946 1.00 1.95 H new ATOM 0 HA GLN A 3 -19.644 6.411 4.462 1.00 2.19 H new ATOM 0 HB2 GLN A 3 -20.523 4.143 3.172 1.00 2.82 H new ATOM 0 HB3 GLN A 3 -19.440 3.467 4.373 1.00 2.82 H new ATOM 0 HG2 GLN A 3 -21.215 5.628 5.402 1.00 4.20 H new ATOM 0 HG3 GLN A 3 -22.065 4.197 4.853 1.00 4.20 H new ATOM 0 HE21 GLN A 3 -19.746 5.532 7.092 1.00 6.73 H new ATOM 0 HE22 GLN A 3 -19.695 4.183 8.232 1.00 6.73 H new ATOM 40 N LEU A 4 -16.828 4.855 3.987 1.00 0.98 N ATOM 41 CA LEU A 4 -15.515 4.595 4.551 1.00 0.71 C ATOM 42 C LEU A 4 -14.451 5.281 3.693 1.00 0.66 C ATOM 43 O LEU A 4 -13.715 6.139 4.178 1.00 0.90 O ATOM 44 CB LEU A 4 -15.293 3.091 4.721 1.00 1.13 C ATOM 45 CG LEU A 4 -13.842 2.645 4.917 1.00 0.81 C ATOM 46 CD1 LEU A 4 -13.081 2.654 3.590 1.00 2.01 C ATOM 47 CD2 LEU A 4 -13.147 3.495 5.982 1.00 2.31 C ATOM 0 H LEU A 4 -16.919 4.629 2.997 1.00 0.98 H new ATOM 0 HA LEU A 4 -15.440 5.020 5.552 1.00 0.71 H new ATOM 0 HB2 LEU A 4 -15.875 2.752 5.578 1.00 1.13 H new ATOM 0 HB3 LEU A 4 -15.693 2.583 3.843 1.00 1.13 H new ATOM 0 HG LEU A 4 -13.847 1.616 5.278 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -12.053 2.333 3.758 1.00 2.01 H new ATOM 0 HD12 LEU A 4 -13.564 1.973 2.889 1.00 2.01 H new ATOM 0 HD13 LEU A 4 -13.083 3.662 3.176 1.00 2.01 H new ATOM 0 HD21 LEU A 4 -12.117 3.158 6.102 1.00 2.31 H new ATOM 0 HD22 LEU A 4 -13.153 4.541 5.674 1.00 2.31 H new ATOM 0 HD23 LEU A 4 -13.675 3.393 6.930 1.00 2.31 H new ATOM 59 N THR A 5 -14.403 4.877 2.432 1.00 0.65 N ATOM 60 CA THR A 5 -13.441 5.443 1.501 1.00 0.65 C ATOM 61 C THR A 5 -13.325 6.954 1.707 1.00 0.57 C ATOM 62 O THR A 5 -12.250 7.527 1.533 1.00 0.51 O ATOM 63 CB THR A 5 -13.868 5.053 0.085 1.00 0.84 C ATOM 64 OG1 THR A 5 -12.651 5.052 -0.657 1.00 2.13 O ATOM 65 CG2 THR A 5 -14.715 6.134 -0.590 1.00 1.65 C ATOM 0 H THR A 5 -15.014 4.165 2.033 1.00 0.65 H new ATOM 0 HA THR A 5 -12.441 5.046 1.675 1.00 0.65 H new ATOM 0 HB THR A 5 -14.431 4.120 0.120 1.00 0.84 H new ATOM 0 HG1 THR A 5 -12.836 4.808 -1.588 1.00 2.13 H new ATOM 0 HG21 THR A 5 -14.991 5.807 -1.592 1.00 1.65 H new ATOM 0 HG22 THR A 5 -15.617 6.308 -0.004 1.00 1.65 H new ATOM 0 HG23 THR A 5 -14.141 7.058 -0.655 1.00 1.65 H new ATOM 73 N GLU A 6 -14.446 7.557 2.073 1.00 0.65 N ATOM 74 CA GLU A 6 -14.484 8.991 2.304 1.00 0.67 C ATOM 75 C GLU A 6 -13.488 9.379 3.399 1.00 0.61 C ATOM 76 O GLU A 6 -12.589 10.187 3.168 1.00 0.61 O ATOM 77 CB GLU A 6 -15.898 9.452 2.662 1.00 0.83 C ATOM 78 CG GLU A 6 -15.967 10.977 2.772 1.00 1.14 C ATOM 79 CD GLU A 6 -17.417 11.464 2.744 1.00 1.60 C ATOM 80 OE1 GLU A 6 -17.987 11.485 1.632 1.00 2.58 O ATOM 81 OE2 GLU A 6 -17.923 11.803 3.835 1.00 2.47 O ATOM 0 H GLU A 6 -15.335 7.079 2.215 1.00 0.65 H new ATOM 0 HA GLU A 6 -14.195 9.495 1.382 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -16.600 9.107 1.903 1.00 0.83 H new ATOM 0 HB3 GLU A 6 -16.203 9.002 3.607 1.00 0.83 H new ATOM 0 HG2 GLU A 6 -15.489 11.300 3.697 1.00 1.14 H new ATOM 0 HG3 GLU A 6 -15.412 11.430 1.951 1.00 1.14 H new ATOM 88 N GLU A 7 -13.681 8.785 4.568 1.00 0.62 N ATOM 89 CA GLU A 7 -12.810 9.058 5.699 1.00 0.66 C ATOM 90 C GLU A 7 -11.425 8.454 5.460 1.00 0.58 C ATOM 91 O GLU A 7 -10.427 8.962 5.969 1.00 0.56 O ATOM 92 CB GLU A 7 -13.421 8.532 6.999 1.00 0.80 C ATOM 93 CG GLU A 7 -13.706 7.032 6.904 1.00 0.83 C ATOM 94 CD GLU A 7 -13.611 6.368 8.279 1.00 1.20 C ATOM 95 OE1 GLU A 7 -12.597 6.623 8.965 1.00 1.91 O ATOM 96 OE2 GLU A 7 -14.555 5.620 8.614 1.00 1.76 O ATOM 0 H GLU A 7 -14.428 8.116 4.756 1.00 0.62 H new ATOM 0 HA GLU A 7 -12.701 10.138 5.798 1.00 0.66 H new ATOM 0 HB2 GLU A 7 -12.741 8.725 7.829 1.00 0.80 H new ATOM 0 HB3 GLU A 7 -14.345 9.068 7.214 1.00 0.80 H new ATOM 0 HG2 GLU A 7 -14.701 6.873 6.487 1.00 0.83 H new ATOM 0 HG3 GLU A 7 -12.996 6.566 6.221 1.00 0.83 H new ATOM 103 N GLN A 8 -11.408 7.380 4.685 1.00 0.61 N ATOM 104 CA GLN A 8 -10.161 6.702 4.373 1.00 0.57 C ATOM 105 C GLN A 8 -9.301 7.570 3.452 1.00 0.50 C ATOM 106 O GLN A 8 -8.160 7.890 3.781 1.00 0.54 O ATOM 107 CB GLN A 8 -10.424 5.331 3.746 1.00 0.60 C ATOM 108 CG GLN A 8 -9.196 4.428 3.868 1.00 1.43 C ATOM 109 CD GLN A 8 -8.892 4.111 5.334 1.00 1.89 C ATOM 110 OE1 GLN A 8 -9.760 4.121 6.191 1.00 2.86 O ATOM 111 NE2 GLN A 8 -7.614 3.829 5.573 1.00 2.80 N ATOM 0 H GLN A 8 -12.238 6.962 4.264 1.00 0.61 H new ATOM 0 HA GLN A 8 -9.615 6.541 5.303 1.00 0.57 H new ATOM 0 HB2 GLN A 8 -11.276 4.860 4.236 1.00 0.60 H new ATOM 0 HB3 GLN A 8 -10.688 5.452 2.695 1.00 0.60 H new ATOM 0 HG2 GLN A 8 -9.366 3.501 3.319 1.00 1.43 H new ATOM 0 HG3 GLN A 8 -8.335 4.916 3.411 1.00 1.43 H new ATOM 0 HE21 GLN A 8 -6.938 3.838 4.809 1.00 2.80 H new ATOM 0 HE22 GLN A 8 -7.310 3.603 6.520 1.00 2.80 H new ATOM 120 N ILE A 9 -9.882 7.927 2.316 1.00 0.47 N ATOM 121 CA ILE A 9 -9.183 8.752 1.345 1.00 0.45 C ATOM 122 C ILE A 9 -8.588 9.971 2.052 1.00 0.41 C ATOM 123 O ILE A 9 -7.476 10.394 1.739 1.00 0.44 O ATOM 124 CB ILE A 9 -10.108 9.107 0.179 1.00 0.57 C ATOM 125 CG1 ILE A 9 -10.408 7.876 -0.679 1.00 1.54 C ATOM 126 CG2 ILE A 9 -9.530 10.256 -0.649 1.00 2.15 C ATOM 127 CD1 ILE A 9 -9.153 7.403 -1.415 1.00 2.89 C ATOM 0 H ILE A 9 -10.829 7.660 2.046 1.00 0.47 H new ATOM 0 HA ILE A 9 -8.351 8.201 0.905 1.00 0.45 H new ATOM 0 HB ILE A 9 -11.057 9.451 0.589 1.00 0.57 H new ATOM 0 HG12 ILE A 9 -10.789 7.073 -0.048 1.00 1.54 H new ATOM 0 HG13 ILE A 9 -11.190 8.113 -1.401 1.00 1.54 H new ATOM 0 HG21 ILE A 9 -10.207 10.488 -1.471 1.00 2.15 H new ATOM 0 HG22 ILE A 9 -9.411 11.136 -0.017 1.00 2.15 H new ATOM 0 HG23 ILE A 9 -8.559 9.963 -1.050 1.00 2.15 H new ATOM 0 HD11 ILE A 9 -9.393 6.527 -2.018 1.00 2.89 H new ATOM 0 HD12 ILE A 9 -8.789 8.200 -2.063 1.00 2.89 H new ATOM 0 HD13 ILE A 9 -8.382 7.144 -0.690 1.00 2.89 H new ATOM 139 N ALA A 10 -9.356 10.503 2.992 1.00 0.51 N ATOM 140 CA ALA A 10 -8.919 11.665 3.746 1.00 0.52 C ATOM 141 C ALA A 10 -7.509 11.417 4.285 1.00 0.50 C ATOM 142 O ALA A 10 -6.587 12.179 3.997 1.00 0.53 O ATOM 143 CB ALA A 10 -9.926 11.960 4.860 1.00 0.56 C ATOM 0 H ALA A 10 -10.278 10.150 3.248 1.00 0.51 H new ATOM 0 HA ALA A 10 -8.877 12.545 3.104 1.00 0.52 H new ATOM 0 HB1 ALA A 10 -9.598 12.832 5.426 1.00 0.56 H new ATOM 0 HB2 ALA A 10 -10.905 12.158 4.423 1.00 0.56 H new ATOM 0 HB3 ALA A 10 -9.994 11.100 5.526 1.00 0.56 H new ATOM 149 N GLU A 11 -7.385 10.349 5.059 1.00 0.53 N ATOM 150 CA GLU A 11 -6.103 9.991 5.641 1.00 0.58 C ATOM 151 C GLU A 11 -5.151 9.481 4.557 1.00 0.51 C ATOM 152 O GLU A 11 -3.994 9.894 4.497 1.00 0.52 O ATOM 153 CB GLU A 11 -6.276 8.952 6.751 1.00 0.72 C ATOM 154 CG GLU A 11 -6.791 9.604 8.036 1.00 1.21 C ATOM 155 CD GLU A 11 -6.865 8.586 9.176 1.00 1.39 C ATOM 156 OE1 GLU A 11 -5.802 8.336 9.784 1.00 2.05 O ATOM 157 OE2 GLU A 11 -7.983 8.080 9.413 1.00 2.51 O ATOM 0 H GLU A 11 -8.152 9.720 5.297 1.00 0.53 H new ATOM 0 HA GLU A 11 -5.667 10.884 6.089 1.00 0.58 H new ATOM 0 HB2 GLU A 11 -6.973 8.180 6.426 1.00 0.72 H new ATOM 0 HB3 GLU A 11 -5.323 8.460 6.945 1.00 0.72 H new ATOM 0 HG2 GLU A 11 -6.134 10.426 8.320 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -7.778 10.031 7.861 1.00 1.21 H new ATOM 164 N PHE A 12 -5.674 8.590 3.727 1.00 0.47 N ATOM 165 CA PHE A 12 -4.885 8.019 2.648 1.00 0.45 C ATOM 166 C PHE A 12 -4.175 9.114 1.849 1.00 0.37 C ATOM 167 O PHE A 12 -3.027 8.946 1.442 1.00 0.43 O ATOM 168 CB PHE A 12 -5.857 7.281 1.726 1.00 0.51 C ATOM 169 CG PHE A 12 -5.607 5.774 1.637 1.00 0.77 C ATOM 170 CD1 PHE A 12 -5.926 4.969 2.686 1.00 0.99 C ATOM 171 CD2 PHE A 12 -5.067 5.239 0.509 1.00 1.47 C ATOM 172 CE1 PHE A 12 -5.694 3.570 2.604 1.00 1.31 C ATOM 173 CE2 PHE A 12 -4.835 3.841 0.427 1.00 1.97 C ATOM 174 CZ PHE A 12 -5.153 3.036 1.476 1.00 1.74 C ATOM 0 H PHE A 12 -6.634 8.250 3.780 1.00 0.47 H new ATOM 0 HA PHE A 12 -4.125 7.353 3.055 1.00 0.45 H new ATOM 0 HB2 PHE A 12 -6.875 7.450 2.078 1.00 0.51 H new ATOM 0 HB3 PHE A 12 -5.790 7.710 0.726 1.00 0.51 H new ATOM 0 HD1 PHE A 12 -6.356 5.394 3.581 1.00 0.99 H new ATOM 0 HD2 PHE A 12 -4.815 5.878 -0.324 1.00 1.47 H new ATOM 0 HE1 PHE A 12 -5.947 2.931 3.437 1.00 1.31 H new ATOM 0 HE2 PHE A 12 -4.406 3.417 -0.469 1.00 1.97 H new ATOM 0 HZ PHE A 12 -4.976 1.972 1.413 1.00 1.74 H new ATOM 184 N LYS A 13 -4.889 10.213 1.648 1.00 0.37 N ATOM 185 CA LYS A 13 -4.341 11.335 0.905 1.00 0.37 C ATOM 186 C LYS A 13 -2.955 11.678 1.455 1.00 0.37 C ATOM 187 O LYS A 13 -1.965 11.625 0.728 1.00 0.40 O ATOM 188 CB LYS A 13 -5.317 12.514 0.919 1.00 0.41 C ATOM 189 CG LYS A 13 -5.209 13.330 -0.371 1.00 0.59 C ATOM 190 CD LYS A 13 -6.313 12.944 -1.358 1.00 1.07 C ATOM 191 CE LYS A 13 -5.882 13.223 -2.799 1.00 2.05 C ATOM 192 NZ LYS A 13 -6.178 14.626 -3.165 1.00 2.40 N ATOM 0 H LYS A 13 -5.841 10.350 1.987 1.00 0.37 H new ATOM 0 HA LYS A 13 -4.211 11.070 -0.144 1.00 0.37 H new ATOM 0 HB2 LYS A 13 -6.336 12.146 1.036 1.00 0.41 H new ATOM 0 HB3 LYS A 13 -5.108 13.153 1.777 1.00 0.41 H new ATOM 0 HG2 LYS A 13 -5.278 14.393 -0.140 1.00 0.59 H new ATOM 0 HG3 LYS A 13 -4.233 13.166 -0.829 1.00 0.59 H new ATOM 0 HD2 LYS A 13 -6.554 11.887 -1.245 1.00 1.07 H new ATOM 0 HD3 LYS A 13 -7.220 13.504 -1.131 1.00 1.07 H new ATOM 0 HE2 LYS A 13 -4.815 13.029 -2.910 1.00 2.05 H new ATOM 0 HE3 LYS A 13 -6.401 12.546 -3.478 1.00 2.05 H new ATOM 0 HZ1 LYS A 13 -5.879 14.799 -4.146 1.00 2.40 H new ATOM 0 HZ2 LYS A 13 -7.200 14.799 -3.078 1.00 2.40 H new ATOM 0 HZ3 LYS A 13 -5.663 15.267 -2.528 1.00 2.40 H new ATOM 206 N GLU A 14 -2.930 12.022 2.735 1.00 0.39 N ATOM 207 CA GLU A 14 -1.682 12.373 3.390 1.00 0.44 C ATOM 208 C GLU A 14 -0.809 11.129 3.572 1.00 0.45 C ATOM 209 O GLU A 14 0.405 11.186 3.385 1.00 0.52 O ATOM 210 CB GLU A 14 -1.942 13.061 4.732 1.00 0.53 C ATOM 211 CG GLU A 14 -0.794 14.006 5.095 1.00 1.44 C ATOM 212 CD GLU A 14 -0.865 14.412 6.568 1.00 2.21 C ATOM 213 OE1 GLU A 14 -1.877 15.048 6.934 1.00 3.01 O ATOM 214 OE2 GLU A 14 0.096 14.079 7.296 1.00 3.05 O ATOM 0 H GLU A 14 -3.754 12.065 3.335 1.00 0.39 H new ATOM 0 HA GLU A 14 -1.147 13.079 2.754 1.00 0.44 H new ATOM 0 HB2 GLU A 14 -2.876 13.620 4.683 1.00 0.53 H new ATOM 0 HB3 GLU A 14 -2.060 12.310 5.513 1.00 0.53 H new ATOM 0 HG2 GLU A 14 0.160 13.519 4.894 1.00 1.44 H new ATOM 0 HG3 GLU A 14 -0.837 14.895 4.466 1.00 1.44 H new ATOM 221 N ALA A 15 -1.463 10.035 3.935 1.00 0.49 N ATOM 222 CA ALA A 15 -0.762 8.780 4.145 1.00 0.60 C ATOM 223 C ALA A 15 0.086 8.463 2.911 1.00 0.57 C ATOM 224 O ALA A 15 1.300 8.290 3.016 1.00 0.59 O ATOM 225 CB ALA A 15 -1.774 7.676 4.456 1.00 0.68 C ATOM 0 H ALA A 15 -2.470 9.992 4.089 1.00 0.49 H new ATOM 0 HA ALA A 15 -0.088 8.854 4.999 1.00 0.60 H new ATOM 0 HB1 ALA A 15 -1.248 6.734 4.614 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -2.331 7.936 5.356 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -2.465 7.570 3.620 1.00 0.68 H new ATOM 231 N PHE A 16 -0.586 8.395 1.772 1.00 0.61 N ATOM 232 CA PHE A 16 0.091 8.102 0.520 1.00 0.67 C ATOM 233 C PHE A 16 1.492 8.717 0.496 1.00 0.62 C ATOM 234 O PHE A 16 2.474 8.024 0.236 1.00 0.80 O ATOM 235 CB PHE A 16 -0.746 8.725 -0.598 1.00 0.75 C ATOM 236 CG PHE A 16 0.038 9.003 -1.882 1.00 0.89 C ATOM 237 CD1 PHE A 16 0.204 8.017 -2.804 1.00 0.68 C ATOM 238 CD2 PHE A 16 0.570 10.235 -2.102 1.00 1.63 C ATOM 239 CE1 PHE A 16 0.932 8.274 -3.996 1.00 1.15 C ATOM 240 CE2 PHE A 16 1.298 10.493 -3.293 1.00 2.08 C ATOM 241 CZ PHE A 16 1.464 9.507 -4.215 1.00 1.81 C ATOM 0 H PHE A 16 -1.593 8.538 1.689 1.00 0.61 H new ATOM 0 HA PHE A 16 0.195 7.024 0.398 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -1.578 8.059 -0.829 1.00 0.75 H new ATOM 0 HB3 PHE A 16 -1.176 9.659 -0.238 1.00 0.75 H new ATOM 0 HD1 PHE A 16 -0.218 7.038 -2.630 1.00 0.68 H new ATOM 0 HD2 PHE A 16 0.438 11.018 -1.370 1.00 1.63 H new ATOM 0 HE1 PHE A 16 1.063 7.491 -4.728 1.00 1.15 H new ATOM 0 HE2 PHE A 16 1.720 11.472 -3.467 1.00 2.08 H new ATOM 0 HZ PHE A 16 2.018 9.703 -5.121 1.00 1.81 H new ATOM 251 N SER A 17 1.539 10.013 0.772 1.00 0.51 N ATOM 252 CA SER A 17 2.802 10.729 0.785 1.00 0.48 C ATOM 253 C SER A 17 3.892 9.856 1.410 1.00 0.43 C ATOM 254 O SER A 17 4.984 9.730 0.857 1.00 0.43 O ATOM 255 CB SER A 17 2.678 12.050 1.548 1.00 0.53 C ATOM 256 OG SER A 17 3.742 12.946 1.240 1.00 1.21 O ATOM 0 H SER A 17 0.722 10.585 0.988 1.00 0.51 H new ATOM 0 HA SER A 17 3.075 10.959 -0.245 1.00 0.48 H new ATOM 0 HB2 SER A 17 1.726 12.521 1.305 1.00 0.53 H new ATOM 0 HB3 SER A 17 2.671 11.850 2.620 1.00 0.53 H new ATOM 0 HG SER A 17 3.626 13.778 1.745 1.00 1.21 H new ATOM 262 N LEU A 18 3.559 9.276 2.553 1.00 0.44 N ATOM 263 CA LEU A 18 4.496 8.418 3.258 1.00 0.44 C ATOM 264 C LEU A 18 4.673 7.114 2.479 1.00 0.43 C ATOM 265 O LEU A 18 5.780 6.785 2.055 1.00 0.46 O ATOM 266 CB LEU A 18 4.048 8.213 4.707 1.00 0.48 C ATOM 267 CG LEU A 18 4.423 9.325 5.689 1.00 0.49 C ATOM 268 CD1 LEU A 18 3.804 9.072 7.065 1.00 0.67 C ATOM 269 CD2 LEU A 18 5.941 9.500 5.766 1.00 0.52 C ATOM 0 H LEU A 18 2.653 9.383 3.009 1.00 0.44 H new ATOM 0 HA LEU A 18 5.477 8.891 3.315 1.00 0.44 H new ATOM 0 HB2 LEU A 18 2.964 8.096 4.718 1.00 0.48 H new ATOM 0 HB3 LEU A 18 4.474 7.277 5.069 1.00 0.48 H new ATOM 0 HG LEU A 18 4.010 10.263 5.318 1.00 0.49 H new ATOM 0 HD11 LEU A 18 4.086 9.877 7.744 1.00 0.67 H new ATOM 0 HD12 LEU A 18 2.718 9.037 6.975 1.00 0.67 H new ATOM 0 HD13 LEU A 18 4.166 8.122 7.458 1.00 0.67 H new ATOM 0 HD21 LEU A 18 6.180 10.296 6.471 1.00 0.52 H new ATOM 0 HD22 LEU A 18 6.398 8.569 6.102 1.00 0.52 H new ATOM 0 HD23 LEU A 18 6.328 9.759 4.781 1.00 0.52 H new ATOM 281 N PHE A 19 3.565 6.405 2.313 1.00 0.45 N ATOM 282 CA PHE A 19 3.584 5.144 1.592 1.00 0.51 C ATOM 283 C PHE A 19 4.446 5.246 0.331 1.00 0.52 C ATOM 284 O PHE A 19 5.219 4.339 0.029 1.00 0.61 O ATOM 285 CB PHE A 19 2.141 4.839 1.186 1.00 0.56 C ATOM 286 CG PHE A 19 1.208 4.562 2.366 1.00 1.02 C ATOM 287 CD1 PHE A 19 1.688 3.958 3.486 1.00 1.63 C ATOM 288 CD2 PHE A 19 -0.102 4.920 2.296 1.00 2.08 C ATOM 289 CE1 PHE A 19 0.822 3.701 4.581 1.00 2.16 C ATOM 290 CE2 PHE A 19 -0.968 4.663 3.392 1.00 2.78 C ATOM 291 CZ PHE A 19 -0.488 4.059 4.511 1.00 2.51 C ATOM 0 H PHE A 19 2.649 6.681 2.666 1.00 0.45 H new ATOM 0 HA PHE A 19 4.003 4.361 2.224 1.00 0.51 H new ATOM 0 HB2 PHE A 19 1.749 5.681 0.616 1.00 0.56 H new ATOM 0 HB3 PHE A 19 2.136 3.975 0.522 1.00 0.56 H new ATOM 0 HD1 PHE A 19 2.728 3.674 3.542 1.00 1.63 H new ATOM 0 HD2 PHE A 19 -0.484 5.400 1.407 1.00 2.08 H new ATOM 0 HE1 PHE A 19 1.204 3.221 5.470 1.00 2.16 H new ATOM 0 HE2 PHE A 19 -2.008 4.948 3.336 1.00 2.78 H new ATOM 0 HZ PHE A 19 -1.147 3.863 5.344 1.00 2.51 H new ATOM 301 N ASP A 20 4.282 6.358 -0.370 1.00 0.49 N ATOM 302 CA ASP A 20 5.035 6.591 -1.591 1.00 0.54 C ATOM 303 C ASP A 20 6.403 7.178 -1.237 1.00 0.63 C ATOM 304 O ASP A 20 6.524 8.378 -0.995 1.00 1.00 O ATOM 305 CB ASP A 20 4.314 7.587 -2.501 1.00 0.65 C ATOM 306 CG ASP A 20 4.663 7.475 -3.986 1.00 0.71 C ATOM 307 OD1 ASP A 20 5.610 6.719 -4.292 1.00 0.79 O ATOM 308 OD2 ASP A 20 3.974 8.149 -4.783 1.00 0.92 O ATOM 0 H ASP A 20 3.639 7.108 -0.116 1.00 0.49 H new ATOM 0 HA ASP A 20 5.139 5.638 -2.110 1.00 0.54 H new ATOM 0 HB2 ASP A 20 3.239 7.450 -2.384 1.00 0.65 H new ATOM 0 HB3 ASP A 20 4.545 8.597 -2.164 1.00 0.65 H new ATOM 313 N LYS A 21 7.399 6.304 -1.219 1.00 0.63 N ATOM 314 CA LYS A 21 8.754 6.721 -0.899 1.00 0.80 C ATOM 315 C LYS A 21 9.305 7.572 -2.045 1.00 0.64 C ATOM 316 O LYS A 21 9.622 8.745 -1.855 1.00 0.90 O ATOM 317 CB LYS A 21 9.622 5.507 -0.562 1.00 1.03 C ATOM 318 CG LYS A 21 8.920 4.593 0.444 1.00 0.86 C ATOM 319 CD LYS A 21 8.838 5.253 1.821 1.00 0.84 C ATOM 320 CE LYS A 21 7.645 4.719 2.616 1.00 1.09 C ATOM 321 NZ LYS A 21 7.421 5.537 3.828 1.00 1.64 N ATOM 0 H LYS A 21 7.295 5.310 -1.421 1.00 0.63 H new ATOM 0 HA LYS A 21 8.760 7.346 -0.006 1.00 0.80 H new ATOM 0 HB2 LYS A 21 9.843 4.950 -1.472 1.00 1.03 H new ATOM 0 HB3 LYS A 21 10.576 5.840 -0.152 1.00 1.03 H new ATOM 0 HG2 LYS A 21 7.916 4.359 0.089 1.00 0.86 H new ATOM 0 HG3 LYS A 21 9.459 3.649 0.521 1.00 0.86 H new ATOM 0 HD2 LYS A 21 9.760 5.067 2.373 1.00 0.84 H new ATOM 0 HD3 LYS A 21 8.748 6.333 1.706 1.00 0.84 H new ATOM 0 HE2 LYS A 21 6.751 4.730 1.993 1.00 1.09 H new ATOM 0 HE3 LYS A 21 7.824 3.682 2.898 1.00 1.09 H new ATOM 0 HZ1 LYS A 21 6.918 4.971 4.541 1.00 1.64 H new ATOM 0 HZ2 LYS A 21 8.337 5.844 4.214 1.00 1.64 H new ATOM 0 HZ3 LYS A 21 6.851 6.372 3.583 1.00 1.64 H new ATOM 335 N ASP A 22 9.402 6.948 -3.210 1.00 0.59 N ATOM 336 CA ASP A 22 9.909 7.633 -4.386 1.00 0.56 C ATOM 337 C ASP A 22 9.291 9.031 -4.463 1.00 0.71 C ATOM 338 O ASP A 22 9.953 10.023 -4.162 1.00 1.21 O ATOM 339 CB ASP A 22 9.536 6.881 -5.666 1.00 0.63 C ATOM 340 CG ASP A 22 9.627 7.707 -6.951 1.00 2.36 C ATOM 341 OD1 ASP A 22 10.220 8.805 -6.879 1.00 3.38 O ATOM 342 OD2 ASP A 22 9.101 7.221 -7.975 1.00 3.05 O ATOM 0 H ASP A 22 9.138 5.975 -3.364 1.00 0.59 H new ATOM 0 HA ASP A 22 10.994 7.687 -4.302 1.00 0.56 H new ATOM 0 HB2 ASP A 22 10.188 6.013 -5.763 1.00 0.63 H new ATOM 0 HB3 ASP A 22 8.518 6.505 -5.565 1.00 0.63 H new ATOM 347 N GLY A 23 8.030 9.064 -4.867 1.00 0.52 N ATOM 348 CA GLY A 23 7.315 10.324 -4.986 1.00 0.65 C ATOM 349 C GLY A 23 6.941 10.606 -6.443 1.00 0.72 C ATOM 350 O GLY A 23 7.042 11.741 -6.905 1.00 0.89 O ATOM 0 H GLY A 23 7.485 8.239 -5.116 1.00 0.52 H new ATOM 0 HA2 GLY A 23 6.413 10.294 -4.374 1.00 0.65 H new ATOM 0 HA3 GLY A 23 7.934 11.135 -4.602 1.00 0.65 H new ATOM 354 N ASP A 24 6.515 9.553 -7.125 1.00 0.69 N ATOM 355 CA ASP A 24 6.125 9.672 -8.520 1.00 0.86 C ATOM 356 C ASP A 24 4.616 9.449 -8.644 1.00 0.98 C ATOM 357 O ASP A 24 3.971 10.021 -9.521 1.00 1.58 O ATOM 358 CB ASP A 24 6.831 8.623 -9.381 1.00 0.87 C ATOM 359 CG ASP A 24 6.657 7.178 -8.911 1.00 0.89 C ATOM 360 OD1 ASP A 24 6.217 7.006 -7.754 1.00 0.87 O ATOM 361 OD2 ASP A 24 6.969 6.277 -9.720 1.00 1.45 O ATOM 0 H ASP A 24 6.431 8.613 -6.738 1.00 0.69 H new ATOM 0 HA ASP A 24 6.404 10.668 -8.864 1.00 0.86 H new ATOM 0 HB2 ASP A 24 6.460 8.704 -10.403 1.00 0.87 H new ATOM 0 HB3 ASP A 24 7.896 8.854 -9.409 1.00 0.87 H new ATOM 366 N GLY A 25 4.099 8.616 -7.753 1.00 0.57 N ATOM 367 CA GLY A 25 2.678 8.310 -7.752 1.00 0.63 C ATOM 368 C GLY A 25 2.442 6.801 -7.842 1.00 0.59 C ATOM 369 O GLY A 25 1.513 6.353 -8.512 1.00 0.94 O ATOM 0 H GLY A 25 4.638 8.144 -7.027 1.00 0.57 H new ATOM 0 HA2 GLY A 25 2.219 8.700 -6.843 1.00 0.63 H new ATOM 0 HA3 GLY A 25 2.195 8.808 -8.592 1.00 0.63 H new ATOM 373 N THR A 26 3.300 6.058 -7.158 1.00 0.62 N ATOM 374 CA THR A 26 3.197 4.609 -7.152 1.00 0.57 C ATOM 375 C THR A 26 3.903 4.028 -5.926 1.00 0.52 C ATOM 376 O THR A 26 5.028 4.415 -5.612 1.00 0.59 O ATOM 377 CB THR A 26 3.757 4.090 -8.478 1.00 0.64 C ATOM 378 OG1 THR A 26 4.986 4.794 -8.635 1.00 1.24 O ATOM 379 CG2 THR A 26 2.919 4.531 -9.680 1.00 1.34 C ATOM 0 H THR A 26 4.070 6.433 -6.604 1.00 0.62 H new ATOM 0 HA THR A 26 2.159 4.287 -7.072 1.00 0.57 H new ATOM 0 HB THR A 26 3.807 3.001 -8.450 1.00 0.64 H new ATOM 0 HG1 THR A 26 5.337 5.040 -7.754 1.00 1.24 H new ATOM 0 HG21 THR A 26 3.360 4.136 -10.595 1.00 1.34 H new ATOM 0 HG22 THR A 26 1.903 4.152 -9.574 1.00 1.34 H new ATOM 0 HG23 THR A 26 2.897 5.620 -9.728 1.00 1.34 H new ATOM 387 N ILE A 27 3.214 3.109 -5.266 1.00 0.46 N ATOM 388 CA ILE A 27 3.762 2.471 -4.081 1.00 0.45 C ATOM 389 C ILE A 27 4.450 1.165 -4.481 1.00 0.42 C ATOM 390 O ILE A 27 3.898 0.083 -4.286 1.00 0.53 O ATOM 391 CB ILE A 27 2.676 2.294 -3.018 1.00 0.46 C ATOM 392 CG1 ILE A 27 2.328 3.631 -2.360 1.00 0.58 C ATOM 393 CG2 ILE A 27 3.083 1.238 -1.988 1.00 0.48 C ATOM 394 CD1 ILE A 27 1.495 4.504 -3.301 1.00 0.81 C ATOM 0 H ILE A 27 2.281 2.791 -5.529 1.00 0.46 H new ATOM 0 HA ILE A 27 4.523 3.104 -3.625 1.00 0.45 H new ATOM 0 HB ILE A 27 1.773 1.933 -3.511 1.00 0.46 H new ATOM 0 HG12 ILE A 27 1.775 3.454 -1.438 1.00 0.58 H new ATOM 0 HG13 ILE A 27 3.244 4.155 -2.087 1.00 0.58 H new ATOM 0 HG21 ILE A 27 2.293 1.132 -1.244 1.00 0.48 H new ATOM 0 HG22 ILE A 27 3.240 0.283 -2.489 1.00 0.48 H new ATOM 0 HG23 ILE A 27 4.006 1.546 -1.496 1.00 0.48 H new ATOM 0 HD11 ILE A 27 1.261 5.448 -2.809 1.00 0.81 H new ATOM 0 HD12 ILE A 27 2.061 4.699 -4.212 1.00 0.81 H new ATOM 0 HD13 ILE A 27 0.569 3.987 -3.553 1.00 0.81 H new ATOM 406 N THR A 28 5.645 1.308 -5.035 1.00 0.42 N ATOM 407 CA THR A 28 6.414 0.153 -5.465 1.00 0.45 C ATOM 408 C THR A 28 6.436 -0.912 -4.366 1.00 0.44 C ATOM 409 O THR A 28 6.300 -0.594 -3.186 1.00 0.50 O ATOM 410 CB THR A 28 7.807 0.636 -5.870 1.00 0.49 C ATOM 411 OG1 THR A 28 7.587 1.355 -7.081 1.00 0.62 O ATOM 412 CG2 THR A 28 8.729 -0.513 -6.283 1.00 0.57 C ATOM 0 H THR A 28 6.100 2.207 -5.196 1.00 0.42 H new ATOM 0 HA THR A 28 5.956 -0.327 -6.330 1.00 0.45 H new ATOM 0 HB THR A 28 8.256 1.182 -5.040 1.00 0.49 H new ATOM 0 HG1 THR A 28 7.837 2.294 -6.954 1.00 0.62 H new ATOM 0 HG21 THR A 28 9.705 -0.115 -6.561 1.00 0.57 H new ATOM 0 HG22 THR A 28 8.844 -1.205 -5.449 1.00 0.57 H new ATOM 0 HG23 THR A 28 8.296 -1.039 -7.134 1.00 0.57 H new ATOM 420 N THR A 29 6.609 -2.154 -4.794 1.00 0.45 N ATOM 421 CA THR A 29 6.651 -3.268 -3.861 1.00 0.49 C ATOM 422 C THR A 29 7.603 -2.959 -2.704 1.00 0.47 C ATOM 423 O THR A 29 7.234 -3.095 -1.539 1.00 0.50 O ATOM 424 CB THR A 29 7.033 -4.526 -4.644 1.00 0.60 C ATOM 425 OG1 THR A 29 8.371 -4.278 -5.067 1.00 0.58 O ATOM 426 CG2 THR A 29 6.248 -4.664 -5.950 1.00 0.66 C ATOM 0 H THR A 29 6.722 -2.414 -5.774 1.00 0.45 H new ATOM 0 HA THR A 29 5.677 -3.437 -3.402 1.00 0.49 H new ATOM 0 HB THR A 29 6.862 -5.406 -4.024 1.00 0.60 H new ATOM 0 HG1 THR A 29 8.699 -5.045 -5.581 1.00 0.58 H new ATOM 0 HG21 THR A 29 6.557 -5.573 -6.466 1.00 0.66 H new ATOM 0 HG22 THR A 29 5.182 -4.717 -5.730 1.00 0.66 H new ATOM 0 HG23 THR A 29 6.445 -3.801 -6.586 1.00 0.66 H new ATOM 434 N LYS A 30 8.810 -2.549 -3.067 1.00 0.50 N ATOM 435 CA LYS A 30 9.818 -2.220 -2.074 1.00 0.57 C ATOM 436 C LYS A 30 9.333 -1.037 -1.233 1.00 0.53 C ATOM 437 O LYS A 30 9.572 -0.987 -0.028 1.00 0.56 O ATOM 438 CB LYS A 30 11.173 -1.983 -2.744 1.00 0.69 C ATOM 439 CG LYS A 30 11.203 -0.631 -3.459 1.00 1.03 C ATOM 440 CD LYS A 30 12.118 -0.679 -4.684 1.00 1.13 C ATOM 441 CE LYS A 30 12.289 0.713 -5.295 1.00 2.52 C ATOM 442 NZ LYS A 30 13.340 1.469 -4.576 1.00 2.60 N ATOM 0 H LYS A 30 9.112 -2.437 -4.035 1.00 0.50 H new ATOM 0 HA LYS A 30 9.967 -3.057 -1.392 1.00 0.57 H new ATOM 0 HB2 LYS A 30 11.964 -2.020 -1.995 1.00 0.69 H new ATOM 0 HB3 LYS A 30 11.373 -2.781 -3.459 1.00 0.69 H new ATOM 0 HG2 LYS A 30 10.194 -0.355 -3.765 1.00 1.03 H new ATOM 0 HG3 LYS A 30 11.550 0.140 -2.771 1.00 1.03 H new ATOM 0 HD2 LYS A 30 13.092 -1.077 -4.400 1.00 1.13 H new ATOM 0 HD3 LYS A 30 11.701 -1.358 -5.428 1.00 1.13 H new ATOM 0 HE2 LYS A 30 12.553 0.624 -6.349 1.00 2.52 H new ATOM 0 HE3 LYS A 30 11.345 1.256 -5.248 1.00 2.52 H new ATOM 0 HZ1 LYS A 30 13.443 2.412 -5.003 1.00 2.60 H new ATOM 0 HZ2 LYS A 30 13.073 1.570 -3.576 1.00 2.60 H new ATOM 0 HZ3 LYS A 30 14.243 0.957 -4.643 1.00 2.60 H new ATOM 456 N GLU A 31 8.660 -0.113 -1.903 1.00 0.51 N ATOM 457 CA GLU A 31 8.139 1.067 -1.234 1.00 0.53 C ATOM 458 C GLU A 31 7.069 0.670 -0.215 1.00 0.47 C ATOM 459 O GLU A 31 6.847 1.378 0.766 1.00 0.52 O ATOM 460 CB GLU A 31 7.586 2.073 -2.245 1.00 0.59 C ATOM 461 CG GLU A 31 8.714 2.702 -3.065 1.00 0.84 C ATOM 462 CD GLU A 31 8.154 3.628 -4.147 1.00 0.81 C ATOM 463 OE1 GLU A 31 7.330 4.494 -3.783 1.00 1.61 O ATOM 464 OE2 GLU A 31 8.564 3.449 -5.315 1.00 2.20 O ATOM 0 H GLU A 31 8.463 -0.158 -2.903 1.00 0.51 H new ATOM 0 HA GLU A 31 8.959 1.550 -0.702 1.00 0.53 H new ATOM 0 HB2 GLU A 31 6.881 1.575 -2.911 1.00 0.59 H new ATOM 0 HB3 GLU A 31 7.033 2.853 -1.722 1.00 0.59 H new ATOM 0 HG2 GLU A 31 9.377 3.264 -2.407 1.00 0.84 H new ATOM 0 HG3 GLU A 31 9.314 1.918 -3.527 1.00 0.84 H new ATOM 471 N LEU A 32 6.434 -0.462 -0.482 1.00 0.41 N ATOM 472 CA LEU A 32 5.393 -0.962 0.399 1.00 0.41 C ATOM 473 C LEU A 32 6.026 -1.451 1.704 1.00 0.42 C ATOM 474 O LEU A 32 5.516 -1.172 2.788 1.00 0.53 O ATOM 475 CB LEU A 32 4.552 -2.024 -0.312 1.00 0.46 C ATOM 476 CG LEU A 32 3.553 -2.786 0.561 1.00 0.52 C ATOM 477 CD1 LEU A 32 4.257 -3.867 1.383 1.00 1.96 C ATOM 478 CD2 LEU A 32 2.753 -1.826 1.443 1.00 2.15 C ATOM 0 H LEU A 32 6.621 -1.047 -1.296 1.00 0.41 H new ATOM 0 HA LEU A 32 4.700 -0.163 0.660 1.00 0.41 H new ATOM 0 HB2 LEU A 32 4.003 -1.542 -1.121 1.00 0.46 H new ATOM 0 HB3 LEU A 32 5.227 -2.746 -0.771 1.00 0.46 H new ATOM 0 HG LEU A 32 2.842 -3.291 -0.093 1.00 0.52 H new ATOM 0 HD11 LEU A 32 3.525 -4.394 1.995 1.00 1.96 H new ATOM 0 HD12 LEU A 32 4.745 -4.574 0.712 1.00 1.96 H new ATOM 0 HD13 LEU A 32 5.004 -3.405 2.029 1.00 1.96 H new ATOM 0 HD21 LEU A 32 2.050 -2.393 2.054 1.00 2.15 H new ATOM 0 HD22 LEU A 32 3.434 -1.274 2.091 1.00 2.15 H new ATOM 0 HD23 LEU A 32 2.204 -1.126 0.814 1.00 2.15 H new ATOM 490 N GLY A 33 7.127 -2.173 1.555 1.00 0.39 N ATOM 491 CA GLY A 33 7.835 -2.703 2.708 1.00 0.43 C ATOM 492 C GLY A 33 8.551 -1.588 3.472 1.00 0.43 C ATOM 493 O GLY A 33 8.903 -1.757 4.639 1.00 0.52 O ATOM 0 H GLY A 33 7.546 -2.403 0.654 1.00 0.39 H new ATOM 0 HA2 GLY A 33 7.132 -3.209 3.370 1.00 0.43 H new ATOM 0 HA3 GLY A 33 8.560 -3.449 2.383 1.00 0.43 H new ATOM 497 N THR A 34 8.746 -0.473 2.784 1.00 0.41 N ATOM 498 CA THR A 34 9.415 0.669 3.383 1.00 0.43 C ATOM 499 C THR A 34 8.566 1.249 4.517 1.00 0.39 C ATOM 500 O THR A 34 9.003 1.290 5.666 1.00 0.55 O ATOM 501 CB THR A 34 9.715 1.678 2.272 1.00 0.47 C ATOM 502 OG1 THR A 34 10.536 0.954 1.360 1.00 0.64 O ATOM 503 CG2 THR A 34 10.610 2.824 2.749 1.00 0.46 C ATOM 0 H THR A 34 8.452 -0.336 1.817 1.00 0.41 H new ATOM 0 HA THR A 34 10.360 0.378 3.842 1.00 0.43 H new ATOM 0 HB THR A 34 8.780 2.084 1.887 1.00 0.47 H new ATOM 0 HG1 THR A 34 9.970 0.464 0.728 1.00 0.64 H new ATOM 0 HG21 THR A 34 10.792 3.511 1.923 1.00 0.46 H new ATOM 0 HG22 THR A 34 10.117 3.357 3.562 1.00 0.46 H new ATOM 0 HG23 THR A 34 11.559 2.421 3.102 1.00 0.46 H new ATOM 511 N VAL A 35 7.368 1.683 4.153 1.00 0.34 N ATOM 512 CA VAL A 35 6.454 2.258 5.125 1.00 0.37 C ATOM 513 C VAL A 35 6.247 1.268 6.273 1.00 0.36 C ATOM 514 O VAL A 35 6.410 1.622 7.440 1.00 0.41 O ATOM 515 CB VAL A 35 5.147 2.661 4.440 1.00 0.47 C ATOM 516 CG1 VAL A 35 4.273 1.436 4.162 1.00 1.69 C ATOM 517 CG2 VAL A 35 4.388 3.698 5.271 1.00 1.88 C ATOM 0 H VAL A 35 7.009 1.648 3.199 1.00 0.34 H new ATOM 0 HA VAL A 35 6.875 3.168 5.553 1.00 0.37 H new ATOM 0 HB VAL A 35 5.399 3.118 3.483 1.00 0.47 H new ATOM 0 HG11 VAL A 35 3.350 1.751 3.675 1.00 1.69 H new ATOM 0 HG12 VAL A 35 4.810 0.746 3.511 1.00 1.69 H new ATOM 0 HG13 VAL A 35 4.035 0.938 5.102 1.00 1.69 H new ATOM 0 HG21 VAL A 35 3.463 3.967 4.761 1.00 1.88 H new ATOM 0 HG22 VAL A 35 4.154 3.279 6.250 1.00 1.88 H new ATOM 0 HG23 VAL A 35 5.006 4.588 5.395 1.00 1.88 H new ATOM 527 N MET A 36 5.891 0.047 5.902 1.00 0.42 N ATOM 528 CA MET A 36 5.660 -0.997 6.886 1.00 0.48 C ATOM 529 C MET A 36 6.773 -1.017 7.935 1.00 0.55 C ATOM 530 O MET A 36 6.501 -1.034 9.134 1.00 0.61 O ATOM 531 CB MET A 36 5.594 -2.355 6.184 1.00 0.70 C ATOM 532 CG MET A 36 4.363 -2.446 5.281 1.00 0.81 C ATOM 533 SD MET A 36 2.915 -2.818 6.257 1.00 0.85 S ATOM 534 CE MET A 36 1.697 -1.845 5.388 1.00 2.14 C ATOM 0 H MET A 36 5.757 -0.243 4.933 1.00 0.42 H new ATOM 0 HA MET A 36 4.715 -0.793 7.390 1.00 0.48 H new ATOM 0 HB2 MET A 36 6.496 -2.506 5.591 1.00 0.70 H new ATOM 0 HB3 MET A 36 5.564 -3.152 6.927 1.00 0.70 H new ATOM 0 HG2 MET A 36 4.221 -1.505 4.750 1.00 0.81 H new ATOM 0 HG3 MET A 36 4.512 -3.219 4.527 1.00 0.81 H new ATOM 0 HE1 MET A 36 0.726 -1.963 5.869 1.00 2.14 H new ATOM 0 HE2 MET A 36 1.988 -0.795 5.409 1.00 2.14 H new ATOM 0 HE3 MET A 36 1.632 -2.182 4.354 1.00 2.14 H new ATOM 544 N ARG A 37 8.004 -1.015 7.445 1.00 0.68 N ATOM 545 CA ARG A 37 9.160 -1.033 8.325 1.00 0.88 C ATOM 546 C ARG A 37 9.133 0.176 9.262 1.00 0.86 C ATOM 547 O ARG A 37 9.317 0.035 10.470 1.00 1.04 O ATOM 548 CB ARG A 37 10.463 -1.020 7.524 1.00 1.10 C ATOM 549 CG ARG A 37 10.908 -2.442 7.176 1.00 1.91 C ATOM 550 CD ARG A 37 11.460 -2.511 5.751 1.00 3.07 C ATOM 551 NE ARG A 37 12.796 -3.147 5.756 1.00 3.62 N ATOM 552 CZ ARG A 37 13.432 -3.569 4.655 1.00 4.82 C ATOM 553 NH1 ARG A 37 12.856 -3.426 3.453 1.00 5.97 N ATOM 554 NH2 ARG A 37 14.642 -4.135 4.755 1.00 5.57 N ATOM 0 H ARG A 37 8.226 -1.001 6.450 1.00 0.68 H new ATOM 0 HA ARG A 37 9.116 -1.952 8.910 1.00 0.88 H new ATOM 0 HB2 ARG A 37 10.326 -0.444 6.609 1.00 1.10 H new ATOM 0 HB3 ARG A 37 11.243 -0.522 8.100 1.00 1.10 H new ATOM 0 HG2 ARG A 37 11.671 -2.771 7.882 1.00 1.91 H new ATOM 0 HG3 ARG A 37 10.065 -3.125 7.277 1.00 1.91 H new ATOM 0 HD2 ARG A 37 10.780 -3.079 5.116 1.00 3.07 H new ATOM 0 HD3 ARG A 37 11.527 -1.508 5.329 1.00 3.07 H new ATOM 0 HE ARG A 37 13.262 -3.272 6.655 1.00 3.62 H new ATOM 0 HH11 ARG A 37 11.934 -2.996 3.377 1.00 5.97 H new ATOM 0 HH12 ARG A 37 13.340 -3.747 2.614 1.00 5.97 H new ATOM 0 HH21 ARG A 37 15.080 -4.245 5.670 1.00 5.57 H new ATOM 0 HH22 ARG A 37 15.126 -4.456 3.916 1.00 5.57 H new ATOM 568 N SER A 38 8.903 1.338 8.669 1.00 0.80 N ATOM 569 CA SER A 38 8.849 2.572 9.435 1.00 0.99 C ATOM 570 C SER A 38 7.751 2.482 10.496 1.00 0.91 C ATOM 571 O SER A 38 7.756 3.238 11.467 1.00 1.07 O ATOM 572 CB SER A 38 8.609 3.777 8.524 1.00 1.21 C ATOM 573 OG SER A 38 9.042 4.995 9.123 1.00 1.58 O ATOM 0 H SER A 38 8.752 1.451 7.667 1.00 0.80 H new ATOM 0 HA SER A 38 9.811 2.710 9.928 1.00 0.99 H new ATOM 0 HB2 SER A 38 9.136 3.629 7.581 1.00 1.21 H new ATOM 0 HB3 SER A 38 7.547 3.847 8.288 1.00 1.21 H new ATOM 0 HG SER A 38 8.873 5.740 8.509 1.00 1.58 H new ATOM 579 N LEU A 39 6.834 1.550 10.276 1.00 0.81 N ATOM 580 CA LEU A 39 5.732 1.352 11.201 1.00 0.96 C ATOM 581 C LEU A 39 6.142 0.333 12.266 1.00 1.16 C ATOM 582 O LEU A 39 5.321 -0.462 12.719 1.00 2.41 O ATOM 583 CB LEU A 39 4.459 0.970 10.443 1.00 1.11 C ATOM 584 CG LEU A 39 3.825 2.075 9.596 1.00 1.17 C ATOM 585 CD1 LEU A 39 2.748 1.507 8.669 1.00 1.52 C ATOM 586 CD2 LEU A 39 3.286 3.202 10.479 1.00 1.26 C ATOM 0 H LEU A 39 6.832 0.924 9.470 1.00 0.81 H new ATOM 0 HA LEU A 39 5.500 2.281 11.721 1.00 0.96 H new ATOM 0 HB2 LEU A 39 4.687 0.126 9.792 1.00 1.11 H new ATOM 0 HB3 LEU A 39 3.720 0.624 11.166 1.00 1.11 H new ATOM 0 HG LEU A 39 4.600 2.506 8.962 1.00 1.17 H new ATOM 0 HD11 LEU A 39 2.314 2.314 8.078 1.00 1.52 H new ATOM 0 HD12 LEU A 39 3.194 0.769 8.002 1.00 1.52 H new ATOM 0 HD13 LEU A 39 1.968 1.033 9.265 1.00 1.52 H new ATOM 0 HD21 LEU A 39 2.841 3.974 9.852 1.00 1.26 H new ATOM 0 HD22 LEU A 39 2.530 2.804 11.156 1.00 1.26 H new ATOM 0 HD23 LEU A 39 4.103 3.632 11.059 1.00 1.26 H new ATOM 598 N GLY A 40 7.414 0.390 12.635 1.00 0.74 N ATOM 599 CA GLY A 40 7.943 -0.518 13.638 1.00 0.71 C ATOM 600 C GLY A 40 8.267 -1.882 13.026 1.00 0.78 C ATOM 601 O GLY A 40 9.362 -2.409 13.219 1.00 1.65 O ATOM 0 H GLY A 40 8.093 1.051 12.257 1.00 0.74 H new ATOM 0 HA2 GLY A 40 8.843 -0.091 14.082 1.00 0.71 H new ATOM 0 HA3 GLY A 40 7.218 -0.639 14.443 1.00 0.71 H new ATOM 605 N GLN A 41 7.295 -2.416 12.301 1.00 0.93 N ATOM 606 CA GLN A 41 7.463 -3.709 11.660 1.00 0.87 C ATOM 607 C GLN A 41 8.786 -3.753 10.892 1.00 0.96 C ATOM 608 O GLN A 41 9.520 -2.766 10.855 1.00 1.82 O ATOM 609 CB GLN A 41 6.283 -4.021 10.737 1.00 0.83 C ATOM 610 CG GLN A 41 4.953 -3.873 11.479 1.00 1.50 C ATOM 611 CD GLN A 41 3.814 -4.530 10.697 1.00 2.53 C ATOM 612 OE1 GLN A 41 3.303 -3.995 9.727 1.00 3.95 O ATOM 613 NE2 GLN A 41 3.445 -5.716 11.173 1.00 2.81 N ATOM 0 H GLN A 41 6.388 -1.977 12.143 1.00 0.93 H new ATOM 0 HA GLN A 41 7.489 -4.476 12.434 1.00 0.87 H new ATOM 0 HB2 GLN A 41 6.301 -3.350 9.878 1.00 0.83 H new ATOM 0 HB3 GLN A 41 6.377 -5.036 10.351 1.00 0.83 H new ATOM 0 HG2 GLN A 41 5.031 -4.328 12.467 1.00 1.50 H new ATOM 0 HG3 GLN A 41 4.733 -2.816 11.631 1.00 1.50 H new ATOM 0 HE21 GLN A 41 3.915 -6.107 11.990 1.00 2.81 H new ATOM 0 HE22 GLN A 41 2.692 -6.235 10.721 1.00 2.81 H new ATOM 622 N ASN A 42 9.051 -4.907 10.298 1.00 0.81 N ATOM 623 CA ASN A 42 10.272 -5.093 9.533 1.00 0.75 C ATOM 624 C ASN A 42 10.143 -6.351 8.672 1.00 0.62 C ATOM 625 O ASN A 42 10.961 -7.263 8.774 1.00 0.61 O ATOM 626 CB ASN A 42 11.478 -5.274 10.457 1.00 0.92 C ATOM 627 CG ASN A 42 12.731 -4.633 9.856 1.00 1.18 C ATOM 628 OD1 ASN A 42 13.618 -5.299 9.349 1.00 1.78 O ATOM 629 ND2 ASN A 42 12.753 -3.306 9.939 1.00 1.26 N ATOM 0 H ASN A 42 8.440 -5.723 10.331 1.00 0.81 H new ATOM 0 HA ASN A 42 10.421 -4.208 8.915 1.00 0.75 H new ATOM 0 HB2 ASN A 42 11.267 -4.827 11.428 1.00 0.92 H new ATOM 0 HB3 ASN A 42 11.654 -6.336 10.627 1.00 0.92 H new ATOM 0 HD21 ASN A 42 13.546 -2.785 9.565 1.00 1.26 H new ATOM 0 HD22 ASN A 42 11.977 -2.809 10.376 1.00 1.26 H new ATOM 636 N PRO A 43 9.083 -6.358 7.821 1.00 0.56 N ATOM 637 CA PRO A 43 8.836 -7.489 6.942 1.00 0.50 C ATOM 638 C PRO A 43 9.820 -7.498 5.771 1.00 0.45 C ATOM 639 O PRO A 43 10.640 -6.590 5.637 1.00 0.52 O ATOM 640 CB PRO A 43 7.390 -7.337 6.501 1.00 0.54 C ATOM 641 CG PRO A 43 7.021 -5.888 6.773 1.00 0.60 C ATOM 642 CD PRO A 43 8.093 -5.295 7.673 1.00 0.63 C ATOM 0 HA PRO A 43 8.988 -8.448 7.438 1.00 0.50 H new ATOM 0 HB2 PRO A 43 7.277 -7.577 5.444 1.00 0.54 H new ATOM 0 HB3 PRO A 43 6.740 -8.016 7.053 1.00 0.54 H new ATOM 0 HG2 PRO A 43 6.954 -5.329 5.839 1.00 0.60 H new ATOM 0 HG3 PRO A 43 6.044 -5.826 7.252 1.00 0.60 H new ATOM 0 HD2 PRO A 43 8.534 -4.403 7.229 1.00 0.63 H new ATOM 0 HD3 PRO A 43 7.681 -5.000 8.638 1.00 0.63 H new ATOM 650 N THR A 44 9.707 -8.534 4.952 1.00 0.41 N ATOM 651 CA THR A 44 10.577 -8.673 3.797 1.00 0.41 C ATOM 652 C THR A 44 9.812 -8.349 2.512 1.00 0.36 C ATOM 653 O THR A 44 8.601 -8.550 2.439 1.00 0.38 O ATOM 654 CB THR A 44 11.165 -10.085 3.815 1.00 0.46 C ATOM 655 OG1 THR A 44 10.085 -10.905 4.252 1.00 0.49 O ATOM 656 CG2 THR A 44 12.230 -10.262 4.899 1.00 0.55 C ATOM 0 H THR A 44 9.026 -9.285 5.066 1.00 0.41 H new ATOM 0 HA THR A 44 11.402 -7.962 3.835 1.00 0.41 H new ATOM 0 HB THR A 44 11.598 -10.310 2.841 1.00 0.46 H new ATOM 0 HG1 THR A 44 10.378 -11.839 4.291 1.00 0.49 H new ATOM 0 HG21 THR A 44 12.614 -11.281 4.868 1.00 0.55 H new ATOM 0 HG22 THR A 44 13.046 -9.561 4.725 1.00 0.55 H new ATOM 0 HG23 THR A 44 11.789 -10.070 5.877 1.00 0.55 H new ATOM 664 N GLU A 45 10.551 -7.855 1.530 1.00 0.36 N ATOM 665 CA GLU A 45 9.958 -7.502 0.251 1.00 0.33 C ATOM 666 C GLU A 45 9.371 -8.744 -0.423 1.00 0.31 C ATOM 667 O GLU A 45 8.506 -8.634 -1.290 1.00 0.30 O ATOM 668 CB GLU A 45 10.980 -6.816 -0.657 1.00 0.37 C ATOM 669 CG GLU A 45 12.105 -7.779 -1.042 1.00 0.41 C ATOM 670 CD GLU A 45 13.403 -7.426 -0.312 1.00 1.73 C ATOM 671 OE1 GLU A 45 13.914 -6.315 -0.571 1.00 2.53 O ATOM 672 OE2 GLU A 45 13.854 -8.274 0.487 1.00 3.14 O ATOM 0 H GLU A 45 11.556 -7.691 1.594 1.00 0.36 H new ATOM 0 HA GLU A 45 9.149 -6.794 0.431 1.00 0.33 H new ATOM 0 HB2 GLU A 45 10.485 -6.451 -1.557 1.00 0.37 H new ATOM 0 HB3 GLU A 45 11.398 -5.947 -0.149 1.00 0.37 H new ATOM 0 HG2 GLU A 45 11.813 -8.801 -0.799 1.00 0.41 H new ATOM 0 HG3 GLU A 45 12.268 -7.742 -2.119 1.00 0.41 H new ATOM 679 N ALA A 46 9.866 -9.897 0.002 1.00 0.33 N ATOM 680 CA ALA A 46 9.402 -11.159 -0.550 1.00 0.35 C ATOM 681 C ALA A 46 7.969 -11.419 -0.081 1.00 0.34 C ATOM 682 O ALA A 46 7.058 -11.549 -0.897 1.00 0.38 O ATOM 683 CB ALA A 46 10.361 -12.279 -0.142 1.00 0.39 C ATOM 0 H ALA A 46 10.583 -9.984 0.722 1.00 0.33 H new ATOM 0 HA ALA A 46 9.391 -11.120 -1.639 1.00 0.35 H new ATOM 0 HB1 ALA A 46 10.013 -13.225 -0.556 1.00 0.39 H new ATOM 0 HB2 ALA A 46 11.358 -12.061 -0.524 1.00 0.39 H new ATOM 0 HB3 ALA A 46 10.396 -12.350 0.945 1.00 0.39 H new ATOM 689 N GLU A 47 7.813 -11.488 1.233 1.00 0.34 N ATOM 690 CA GLU A 47 6.507 -11.730 1.821 1.00 0.36 C ATOM 691 C GLU A 47 5.476 -10.760 1.241 1.00 0.32 C ATOM 692 O GLU A 47 4.371 -11.165 0.882 1.00 0.32 O ATOM 693 CB GLU A 47 6.563 -11.623 3.346 1.00 0.42 C ATOM 694 CG GLU A 47 6.914 -12.972 3.978 1.00 0.51 C ATOM 695 CD GLU A 47 5.709 -13.562 4.714 1.00 0.92 C ATOM 696 OE1 GLU A 47 5.057 -12.788 5.448 1.00 2.02 O ATOM 697 OE2 GLU A 47 5.467 -14.774 4.526 1.00 1.39 O ATOM 0 H GLU A 47 8.571 -11.380 1.907 1.00 0.34 H new ATOM 0 HA GLU A 47 6.201 -12.746 1.572 1.00 0.36 H new ATOM 0 HB2 GLU A 47 7.305 -10.878 3.635 1.00 0.42 H new ATOM 0 HB3 GLU A 47 5.601 -11.279 3.726 1.00 0.42 H new ATOM 0 HG2 GLU A 47 7.247 -13.664 3.205 1.00 0.51 H new ATOM 0 HG3 GLU A 47 7.744 -12.847 4.673 1.00 0.51 H new ATOM 704 N LEU A 48 5.873 -9.499 1.167 1.00 0.32 N ATOM 705 CA LEU A 48 4.997 -8.468 0.636 1.00 0.31 C ATOM 706 C LEU A 48 4.840 -8.665 -0.873 1.00 0.27 C ATOM 707 O LEU A 48 3.859 -8.215 -1.463 1.00 0.27 O ATOM 708 CB LEU A 48 5.508 -7.079 1.025 1.00 0.35 C ATOM 709 CG LEU A 48 5.201 -6.627 2.454 1.00 0.39 C ATOM 710 CD1 LEU A 48 3.692 -6.547 2.692 1.00 0.45 C ATOM 711 CD2 LEU A 48 5.895 -7.531 3.475 1.00 0.43 C ATOM 0 H LEU A 48 6.790 -9.167 1.466 1.00 0.32 H new ATOM 0 HA LEU A 48 4.002 -8.551 1.074 1.00 0.31 H new ATOM 0 HB2 LEU A 48 6.588 -7.058 0.883 1.00 0.35 H new ATOM 0 HB3 LEU A 48 5.082 -6.351 0.335 1.00 0.35 H new ATOM 0 HG LEU A 48 5.601 -5.622 2.588 1.00 0.39 H new ATOM 0 HD11 LEU A 48 3.502 -6.223 3.715 1.00 0.45 H new ATOM 0 HD12 LEU A 48 3.252 -5.832 1.997 1.00 0.45 H new ATOM 0 HD13 LEU A 48 3.246 -7.529 2.533 1.00 0.45 H new ATOM 0 HD21 LEU A 48 5.661 -7.188 4.483 1.00 0.43 H new ATOM 0 HD22 LEU A 48 5.546 -8.556 3.350 1.00 0.43 H new ATOM 0 HD23 LEU A 48 6.973 -7.493 3.321 1.00 0.43 H new ATOM 723 N GLN A 49 5.821 -9.340 -1.455 1.00 0.28 N ATOM 724 CA GLN A 49 5.804 -9.602 -2.884 1.00 0.27 C ATOM 725 C GLN A 49 4.491 -10.280 -3.283 1.00 0.24 C ATOM 726 O GLN A 49 3.944 -10.001 -4.348 1.00 0.22 O ATOM 727 CB GLN A 49 7.007 -10.450 -3.300 1.00 0.35 C ATOM 728 CG GLN A 49 7.294 -10.298 -4.795 1.00 0.40 C ATOM 729 CD GLN A 49 8.677 -10.851 -5.147 1.00 0.63 C ATOM 730 OE1 GLN A 49 9.702 -10.352 -4.714 1.00 1.59 O ATOM 731 NE2 GLN A 49 8.647 -11.907 -5.954 1.00 1.54 N ATOM 0 H GLN A 49 6.633 -9.713 -0.963 1.00 0.28 H new ATOM 0 HA GLN A 49 5.873 -8.650 -3.410 1.00 0.27 H new ATOM 0 HB2 GLN A 49 7.884 -10.151 -2.725 1.00 0.35 H new ATOM 0 HB3 GLN A 49 6.816 -11.498 -3.067 1.00 0.35 H new ATOM 0 HG2 GLN A 49 6.531 -10.823 -5.371 1.00 0.40 H new ATOM 0 HG3 GLN A 49 7.237 -9.246 -5.075 1.00 0.40 H new ATOM 0 HE21 GLN A 49 7.753 -12.275 -6.280 1.00 1.54 H new ATOM 0 HE22 GLN A 49 9.518 -12.350 -6.247 1.00 1.54 H new ATOM 740 N ASP A 50 4.025 -11.158 -2.407 1.00 0.26 N ATOM 741 CA ASP A 50 2.788 -11.878 -2.654 1.00 0.28 C ATOM 742 C ASP A 50 1.607 -10.914 -2.523 1.00 0.27 C ATOM 743 O ASP A 50 0.588 -11.079 -3.193 1.00 0.29 O ATOM 744 CB ASP A 50 2.593 -13.005 -1.638 1.00 0.36 C ATOM 745 CG ASP A 50 1.260 -13.749 -1.745 1.00 0.67 C ATOM 746 OD1 ASP A 50 0.252 -13.178 -1.275 1.00 2.12 O ATOM 747 OD2 ASP A 50 1.280 -14.872 -2.294 1.00 1.48 O ATOM 0 H ASP A 50 4.483 -11.387 -1.525 1.00 0.26 H new ATOM 0 HA ASP A 50 2.840 -12.302 -3.657 1.00 0.28 H new ATOM 0 HB2 ASP A 50 3.404 -13.724 -1.756 1.00 0.36 H new ATOM 0 HB3 ASP A 50 2.680 -12.588 -0.635 1.00 0.36 H new ATOM 752 N MET A 51 1.783 -9.927 -1.656 1.00 0.29 N ATOM 753 CA MET A 51 0.744 -8.937 -1.429 1.00 0.34 C ATOM 754 C MET A 51 0.590 -8.016 -2.641 1.00 0.33 C ATOM 755 O MET A 51 -0.485 -7.941 -3.235 1.00 0.38 O ATOM 756 CB MET A 51 1.096 -8.102 -0.196 1.00 0.39 C ATOM 757 CG MET A 51 1.127 -8.971 1.064 1.00 0.58 C ATOM 758 SD MET A 51 -0.454 -9.768 1.294 1.00 1.84 S ATOM 759 CE MET A 51 -1.132 -8.742 2.588 1.00 2.22 C ATOM 0 H MET A 51 2.629 -9.792 -1.103 1.00 0.29 H new ATOM 0 HA MET A 51 -0.200 -9.458 -1.270 1.00 0.34 H new ATOM 0 HB2 MET A 51 2.067 -7.627 -0.339 1.00 0.39 H new ATOM 0 HB3 MET A 51 0.365 -7.303 -0.073 1.00 0.39 H new ATOM 0 HG2 MET A 51 1.913 -9.721 0.979 1.00 0.58 H new ATOM 0 HG3 MET A 51 1.364 -8.358 1.933 1.00 0.58 H new ATOM 0 HE1 MET A 51 -2.125 -9.102 2.855 1.00 2.22 H new ATOM 0 HE2 MET A 51 -0.483 -8.784 3.463 1.00 2.22 H new ATOM 0 HE3 MET A 51 -1.202 -7.712 2.237 1.00 2.22 H new ATOM 769 N ILE A 52 1.679 -7.339 -2.973 1.00 0.31 N ATOM 770 CA ILE A 52 1.678 -6.427 -4.104 1.00 0.33 C ATOM 771 C ILE A 52 1.042 -7.119 -5.311 1.00 0.32 C ATOM 772 O ILE A 52 0.168 -6.553 -5.966 1.00 0.31 O ATOM 773 CB ILE A 52 3.090 -5.902 -4.370 1.00 0.34 C ATOM 774 CG1 ILE A 52 4.071 -7.055 -4.594 1.00 0.27 C ATOM 775 CG2 ILE A 52 3.549 -4.969 -3.247 1.00 0.39 C ATOM 776 CD1 ILE A 52 4.015 -7.550 -6.040 1.00 0.37 C ATOM 0 H ILE A 52 2.569 -7.404 -2.478 1.00 0.31 H new ATOM 0 HA ILE A 52 1.072 -5.548 -3.884 1.00 0.33 H new ATOM 0 HB ILE A 52 3.068 -5.315 -5.288 1.00 0.34 H new ATOM 0 HG12 ILE A 52 5.083 -6.727 -4.357 1.00 0.27 H new ATOM 0 HG13 ILE A 52 3.835 -7.875 -3.916 1.00 0.27 H new ATOM 0 HG21 ILE A 52 4.556 -4.610 -3.461 1.00 0.39 H new ATOM 0 HG22 ILE A 52 2.868 -4.121 -3.178 1.00 0.39 H new ATOM 0 HG23 ILE A 52 3.550 -5.511 -2.301 1.00 0.39 H new ATOM 0 HD11 ILE A 52 4.722 -8.369 -6.172 1.00 0.37 H new ATOM 0 HD12 ILE A 52 3.008 -7.900 -6.266 1.00 0.37 H new ATOM 0 HD13 ILE A 52 4.276 -6.734 -6.714 1.00 0.37 H new ATOM 788 N ASN A 53 1.505 -8.333 -5.569 1.00 0.36 N ATOM 789 CA ASN A 53 0.992 -9.108 -6.686 1.00 0.37 C ATOM 790 C ASN A 53 -0.495 -9.392 -6.464 1.00 0.37 C ATOM 791 O ASN A 53 -1.269 -9.447 -7.418 1.00 0.37 O ATOM 792 CB ASN A 53 1.716 -10.451 -6.804 1.00 0.45 C ATOM 793 CG ASN A 53 2.437 -10.568 -8.148 1.00 1.15 C ATOM 794 OD1 ASN A 53 2.886 -9.593 -8.728 1.00 2.23 O ATOM 795 ND2 ASN A 53 2.523 -11.813 -8.609 1.00 1.32 N ATOM 0 H ASN A 53 2.230 -8.799 -5.024 1.00 0.36 H new ATOM 0 HA ASN A 53 1.151 -8.531 -7.597 1.00 0.37 H new ATOM 0 HB2 ASN A 53 2.435 -10.553 -5.991 1.00 0.45 H new ATOM 0 HB3 ASN A 53 0.999 -11.265 -6.700 1.00 0.45 H new ATOM 0 HD21 ASN A 53 2.987 -11.996 -9.499 1.00 1.32 H new ATOM 0 HD22 ASN A 53 2.125 -12.584 -8.073 1.00 1.32 H new ATOM 802 N GLU A 54 -0.850 -9.563 -5.199 1.00 0.40 N ATOM 803 CA GLU A 54 -2.231 -9.839 -4.840 1.00 0.44 C ATOM 804 C GLU A 54 -3.096 -8.598 -5.066 1.00 0.41 C ATOM 805 O GLU A 54 -4.048 -8.634 -5.844 1.00 0.45 O ATOM 806 CB GLU A 54 -2.334 -10.324 -3.392 1.00 0.50 C ATOM 807 CG GLU A 54 -3.793 -10.558 -2.995 1.00 0.53 C ATOM 808 CD GLU A 54 -4.209 -12.006 -3.267 1.00 0.82 C ATOM 809 OE1 GLU A 54 -4.543 -12.290 -4.437 1.00 1.86 O ATOM 810 OE2 GLU A 54 -4.184 -12.795 -2.298 1.00 1.59 O ATOM 0 H GLU A 54 -0.205 -9.516 -4.410 1.00 0.40 H new ATOM 0 HA GLU A 54 -2.601 -10.637 -5.483 1.00 0.44 H new ATOM 0 HB2 GLU A 54 -1.768 -11.248 -3.273 1.00 0.50 H new ATOM 0 HB3 GLU A 54 -1.885 -9.588 -2.725 1.00 0.50 H new ATOM 0 HG2 GLU A 54 -3.927 -10.330 -1.938 1.00 0.53 H new ATOM 0 HG3 GLU A 54 -4.439 -9.879 -3.552 1.00 0.53 H new ATOM 817 N VAL A 55 -2.735 -7.529 -4.371 1.00 0.37 N ATOM 818 CA VAL A 55 -3.467 -6.279 -4.486 1.00 0.38 C ATOM 819 C VAL A 55 -3.439 -5.809 -5.942 1.00 0.36 C ATOM 820 O VAL A 55 -4.453 -5.360 -6.472 1.00 0.47 O ATOM 821 CB VAL A 55 -2.895 -5.247 -3.513 1.00 0.36 C ATOM 822 CG1 VAL A 55 -2.889 -5.786 -2.081 1.00 0.40 C ATOM 823 CG2 VAL A 55 -1.492 -4.809 -3.940 1.00 0.35 C ATOM 0 H VAL A 55 -1.945 -7.503 -3.726 1.00 0.37 H new ATOM 0 HA VAL A 55 -4.512 -6.421 -4.211 1.00 0.38 H new ATOM 0 HB VAL A 55 -3.542 -4.370 -3.537 1.00 0.36 H new ATOM 0 HG11 VAL A 55 -2.477 -5.032 -1.410 1.00 0.40 H new ATOM 0 HG12 VAL A 55 -3.909 -6.024 -1.778 1.00 0.40 H new ATOM 0 HG13 VAL A 55 -2.277 -6.687 -2.034 1.00 0.40 H new ATOM 0 HG21 VAL A 55 -1.108 -4.075 -3.231 1.00 0.35 H new ATOM 0 HG22 VAL A 55 -0.831 -5.675 -3.959 1.00 0.35 H new ATOM 0 HG23 VAL A 55 -1.536 -4.364 -4.934 1.00 0.35 H new ATOM 833 N ASP A 56 -2.266 -5.929 -6.546 1.00 0.28 N ATOM 834 CA ASP A 56 -2.092 -5.522 -7.930 1.00 0.27 C ATOM 835 C ASP A 56 -3.196 -6.148 -8.784 1.00 0.29 C ATOM 836 O ASP A 56 -3.196 -7.356 -9.017 1.00 0.35 O ATOM 837 CB ASP A 56 -0.745 -5.995 -8.479 1.00 0.34 C ATOM 838 CG ASP A 56 -0.508 -5.696 -9.960 1.00 0.44 C ATOM 839 OD1 ASP A 56 -0.330 -4.500 -10.276 1.00 0.51 O ATOM 840 OD2 ASP A 56 -0.511 -6.670 -10.744 1.00 0.74 O ATOM 0 H ASP A 56 -1.427 -6.302 -6.102 1.00 0.28 H new ATOM 0 HA ASP A 56 -2.135 -4.434 -7.968 1.00 0.27 H new ATOM 0 HB2 ASP A 56 0.051 -5.529 -7.898 1.00 0.34 H new ATOM 0 HB3 ASP A 56 -0.664 -7.071 -8.324 1.00 0.34 H new ATOM 845 N ALA A 57 -4.111 -5.298 -9.228 1.00 0.33 N ATOM 846 CA ALA A 57 -5.219 -5.753 -10.051 1.00 0.42 C ATOM 847 C ALA A 57 -4.957 -5.369 -11.508 1.00 0.45 C ATOM 848 O ALA A 57 -5.161 -6.177 -12.413 1.00 0.58 O ATOM 849 CB ALA A 57 -6.527 -5.164 -9.518 1.00 0.53 C ATOM 0 H ALA A 57 -4.108 -4.297 -9.033 1.00 0.33 H new ATOM 0 HA ALA A 57 -5.309 -6.838 -10.007 1.00 0.42 H new ATOM 0 HB1 ALA A 57 -7.358 -5.505 -10.135 1.00 0.53 H new ATOM 0 HB2 ALA A 57 -6.681 -5.491 -8.490 1.00 0.53 H new ATOM 0 HB3 ALA A 57 -6.475 -4.076 -9.549 1.00 0.53 H new ATOM 855 N ASP A 58 -4.509 -4.136 -11.690 1.00 0.47 N ATOM 856 CA ASP A 58 -4.217 -3.635 -13.023 1.00 0.55 C ATOM 857 C ASP A 58 -3.306 -4.627 -13.748 1.00 0.56 C ATOM 858 O ASP A 58 -3.323 -4.708 -14.975 1.00 0.70 O ATOM 859 CB ASP A 58 -3.494 -2.288 -12.958 1.00 0.60 C ATOM 860 CG ASP A 58 -2.310 -2.236 -11.990 1.00 0.88 C ATOM 861 OD1 ASP A 58 -2.117 -3.243 -11.276 1.00 2.42 O ATOM 862 OD2 ASP A 58 -1.627 -1.189 -11.986 1.00 1.54 O ATOM 0 H ASP A 58 -4.341 -3.469 -10.937 1.00 0.47 H new ATOM 0 HA ASP A 58 -5.162 -3.512 -13.552 1.00 0.55 H new ATOM 0 HB2 ASP A 58 -3.139 -2.035 -13.957 1.00 0.60 H new ATOM 0 HB3 ASP A 58 -4.213 -1.520 -12.671 1.00 0.60 H new ATOM 867 N GLY A 59 -2.532 -5.357 -12.958 1.00 0.47 N ATOM 868 CA GLY A 59 -1.616 -6.341 -13.510 1.00 0.53 C ATOM 869 C GLY A 59 -0.260 -5.708 -13.829 1.00 0.56 C ATOM 870 O GLY A 59 -0.144 -4.917 -14.763 1.00 0.81 O ATOM 0 H GLY A 59 -2.520 -5.287 -11.940 1.00 0.47 H new ATOM 0 HA2 GLY A 59 -1.482 -7.157 -12.800 1.00 0.53 H new ATOM 0 HA3 GLY A 59 -2.042 -6.772 -14.416 1.00 0.53 H new ATOM 874 N ASP A 60 0.733 -6.082 -13.034 1.00 0.46 N ATOM 875 CA ASP A 60 2.076 -5.561 -13.220 1.00 0.50 C ATOM 876 C ASP A 60 2.948 -5.976 -12.033 1.00 0.50 C ATOM 877 O ASP A 60 4.003 -6.581 -12.215 1.00 0.62 O ATOM 878 CB ASP A 60 2.070 -4.033 -13.291 1.00 0.53 C ATOM 879 CG ASP A 60 1.320 -3.336 -12.154 1.00 0.86 C ATOM 880 OD1 ASP A 60 0.088 -3.179 -12.300 1.00 1.08 O ATOM 881 OD2 ASP A 60 1.995 -2.976 -11.166 1.00 2.57 O ATOM 0 H ASP A 60 0.634 -6.739 -12.260 1.00 0.46 H new ATOM 0 HA ASP A 60 2.467 -5.963 -14.155 1.00 0.50 H new ATOM 0 HB2 ASP A 60 3.101 -3.680 -13.296 1.00 0.53 H new ATOM 0 HB3 ASP A 60 1.625 -3.730 -14.239 1.00 0.53 H new ATOM 886 N GLY A 61 2.475 -5.633 -10.844 1.00 0.45 N ATOM 887 CA GLY A 61 3.198 -5.962 -9.628 1.00 0.48 C ATOM 888 C GLY A 61 3.559 -4.697 -8.845 1.00 0.61 C ATOM 889 O GLY A 61 4.692 -4.546 -8.391 1.00 1.29 O ATOM 0 H GLY A 61 1.600 -5.130 -10.697 1.00 0.45 H new ATOM 0 HA2 GLY A 61 2.590 -6.618 -9.005 1.00 0.48 H new ATOM 0 HA3 GLY A 61 4.106 -6.511 -9.878 1.00 0.48 H new ATOM 893 N THR A 62 2.574 -3.822 -8.711 1.00 0.42 N ATOM 894 CA THR A 62 2.773 -2.575 -7.992 1.00 0.41 C ATOM 895 C THR A 62 1.485 -2.162 -7.276 1.00 0.33 C ATOM 896 O THR A 62 0.419 -2.715 -7.539 1.00 0.33 O ATOM 897 CB THR A 62 3.277 -1.529 -8.988 1.00 0.53 C ATOM 898 OG1 THR A 62 4.358 -2.176 -9.653 1.00 0.67 O ATOM 899 CG2 THR A 62 3.928 -0.329 -8.297 1.00 0.54 C ATOM 0 H THR A 62 1.635 -3.952 -9.088 1.00 0.42 H new ATOM 0 HA THR A 62 3.523 -2.685 -7.209 1.00 0.41 H new ATOM 0 HB THR A 62 2.447 -1.186 -9.605 1.00 0.53 H new ATOM 0 HG1 THR A 62 4.013 -2.695 -10.410 1.00 0.67 H new ATOM 0 HG21 THR A 62 4.268 0.383 -9.049 1.00 0.54 H new ATOM 0 HG22 THR A 62 3.201 0.153 -7.643 1.00 0.54 H new ATOM 0 HG23 THR A 62 4.779 -0.667 -7.706 1.00 0.54 H new ATOM 907 N ILE A 63 1.628 -1.193 -6.383 1.00 0.39 N ATOM 908 CA ILE A 63 0.490 -0.698 -5.627 1.00 0.34 C ATOM 909 C ILE A 63 0.170 0.731 -6.070 1.00 0.36 C ATOM 910 O ILE A 63 0.910 1.320 -6.857 1.00 0.57 O ATOM 911 CB ILE A 63 0.745 -0.834 -4.125 1.00 0.36 C ATOM 912 CG1 ILE A 63 1.267 -2.231 -3.781 1.00 0.47 C ATOM 913 CG2 ILE A 63 -0.507 -0.476 -3.321 1.00 0.45 C ATOM 914 CD1 ILE A 63 1.537 -2.361 -2.281 1.00 0.54 C ATOM 0 H ILE A 63 2.515 -0.738 -6.166 1.00 0.39 H new ATOM 0 HA ILE A 63 -0.395 -1.301 -5.833 1.00 0.34 H new ATOM 0 HB ILE A 63 1.522 -0.122 -3.845 1.00 0.36 H new ATOM 0 HG12 ILE A 63 0.539 -2.981 -4.090 1.00 0.47 H new ATOM 0 HG13 ILE A 63 2.183 -2.428 -4.338 1.00 0.47 H new ATOM 0 HG21 ILE A 63 -0.298 -0.581 -2.256 1.00 0.45 H new ATOM 0 HG22 ILE A 63 -0.794 0.554 -3.534 1.00 0.45 H new ATOM 0 HG23 ILE A 63 -1.321 -1.145 -3.599 1.00 0.45 H new ATOM 0 HD11 ILE A 63 1.907 -3.363 -2.063 1.00 0.54 H new ATOM 0 HD12 ILE A 63 2.283 -1.625 -1.981 1.00 0.54 H new ATOM 0 HD13 ILE A 63 0.613 -2.187 -1.729 1.00 0.54 H new ATOM 926 N ASP A 64 -0.932 1.247 -5.546 1.00 0.44 N ATOM 927 CA ASP A 64 -1.358 2.596 -5.877 1.00 0.56 C ATOM 928 C ASP A 64 -2.468 3.026 -4.917 1.00 0.48 C ATOM 929 O ASP A 64 -2.796 2.302 -3.978 1.00 0.51 O ATOM 930 CB ASP A 64 -1.912 2.663 -7.302 1.00 0.69 C ATOM 931 CG ASP A 64 -0.880 2.442 -8.409 1.00 1.57 C ATOM 932 OD1 ASP A 64 0.163 3.129 -8.358 1.00 2.70 O ATOM 933 OD2 ASP A 64 -1.157 1.591 -9.281 1.00 2.58 O ATOM 0 H ASP A 64 -1.543 0.755 -4.894 1.00 0.44 H new ATOM 0 HA ASP A 64 -0.492 3.253 -5.795 1.00 0.56 H new ATOM 0 HB2 ASP A 64 -2.699 1.916 -7.405 1.00 0.69 H new ATOM 0 HB3 ASP A 64 -2.377 3.638 -7.449 1.00 0.69 H new ATOM 938 N PHE A 65 -3.016 4.202 -5.185 1.00 0.49 N ATOM 939 CA PHE A 65 -4.083 4.737 -4.356 1.00 0.53 C ATOM 940 C PHE A 65 -5.211 3.716 -4.187 1.00 0.53 C ATOM 941 O PHE A 65 -5.647 3.448 -3.069 1.00 0.54 O ATOM 942 CB PHE A 65 -4.631 5.971 -5.074 1.00 0.70 C ATOM 943 CG PHE A 65 -4.778 7.200 -4.175 1.00 0.99 C ATOM 944 CD1 PHE A 65 -3.830 7.475 -3.239 1.00 0.45 C ATOM 945 CD2 PHE A 65 -5.856 8.018 -4.312 1.00 2.41 C ATOM 946 CE1 PHE A 65 -3.967 8.616 -2.405 1.00 0.51 C ATOM 947 CE2 PHE A 65 -5.992 9.159 -3.477 1.00 2.70 C ATOM 948 CZ PHE A 65 -5.045 9.434 -2.541 1.00 1.58 C ATOM 0 H PHE A 65 -2.741 4.800 -5.965 1.00 0.49 H new ATOM 0 HA PHE A 65 -3.698 4.980 -3.366 1.00 0.53 H new ATOM 0 HB2 PHE A 65 -3.970 6.218 -5.905 1.00 0.70 H new ATOM 0 HB3 PHE A 65 -5.604 5.728 -5.502 1.00 0.70 H new ATOM 0 HD1 PHE A 65 -2.974 6.826 -3.130 1.00 0.45 H new ATOM 0 HD2 PHE A 65 -6.608 7.800 -5.055 1.00 2.41 H new ATOM 0 HE1 PHE A 65 -3.214 8.835 -1.662 1.00 0.51 H new ATOM 0 HE2 PHE A 65 -6.848 9.808 -3.586 1.00 2.70 H new ATOM 0 HZ PHE A 65 -5.149 10.301 -1.906 1.00 1.58 H new ATOM 958 N PRO A 66 -5.661 3.161 -5.344 1.00 0.63 N ATOM 959 CA PRO A 66 -6.730 2.177 -5.336 1.00 0.82 C ATOM 960 C PRO A 66 -6.221 0.820 -4.843 1.00 0.87 C ATOM 961 O PRO A 66 -6.653 0.334 -3.799 1.00 1.35 O ATOM 962 CB PRO A 66 -7.238 2.136 -6.767 1.00 1.00 C ATOM 963 CG PRO A 66 -6.139 2.750 -7.618 1.00 0.85 C ATOM 964 CD PRO A 66 -5.167 3.456 -6.686 1.00 0.63 C ATOM 0 HA PRO A 66 -7.536 2.436 -4.649 1.00 0.82 H new ATOM 0 HB2 PRO A 66 -7.447 1.112 -7.078 1.00 1.00 H new ATOM 0 HB3 PRO A 66 -8.168 2.696 -6.867 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -5.625 1.979 -8.192 1.00 0.85 H new ATOM 0 HG3 PRO A 66 -6.560 3.455 -8.335 1.00 0.85 H new ATOM 0 HD2 PRO A 66 -4.150 3.089 -6.823 1.00 0.63 H new ATOM 0 HD3 PRO A 66 -5.147 4.530 -6.874 1.00 0.63 H new ATOM 972 N GLU A 67 -5.311 0.249 -5.617 1.00 0.71 N ATOM 973 CA GLU A 67 -4.739 -1.042 -5.273 1.00 0.70 C ATOM 974 C GLU A 67 -4.604 -1.174 -3.754 1.00 0.63 C ATOM 975 O GLU A 67 -5.105 -2.130 -3.164 1.00 0.80 O ATOM 976 CB GLU A 67 -3.389 -1.245 -5.963 1.00 0.61 C ATOM 977 CG GLU A 67 -3.541 -1.214 -7.485 1.00 0.59 C ATOM 978 CD GLU A 67 -2.237 -1.619 -8.175 1.00 0.61 C ATOM 979 OE1 GLU A 67 -1.207 -0.987 -7.858 1.00 1.75 O ATOM 980 OE2 GLU A 67 -2.300 -2.553 -9.004 1.00 1.42 O ATOM 0 H GLU A 67 -4.955 0.656 -6.482 1.00 0.71 H new ATOM 0 HA GLU A 67 -5.412 -1.822 -5.628 1.00 0.70 H new ATOM 0 HB2 GLU A 67 -2.695 -0.466 -5.647 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -2.960 -2.199 -5.656 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -4.342 -1.889 -7.788 1.00 0.59 H new ATOM 0 HG3 GLU A 67 -3.830 -0.213 -7.805 1.00 0.59 H new ATOM 987 N PHE A 68 -3.924 -0.201 -3.166 1.00 0.44 N ATOM 988 CA PHE A 68 -3.717 -0.196 -1.728 1.00 0.39 C ATOM 989 C PHE A 68 -5.043 -0.034 -0.983 1.00 0.39 C ATOM 990 O PHE A 68 -5.332 -0.783 -0.051 1.00 0.43 O ATOM 991 CB PHE A 68 -2.817 0.999 -1.409 1.00 0.37 C ATOM 992 CG PHE A 68 -1.951 0.811 -0.162 1.00 0.54 C ATOM 993 CD1 PHE A 68 -1.328 -0.377 0.061 1.00 1.28 C ATOM 994 CD2 PHE A 68 -1.804 1.833 0.724 1.00 0.35 C ATOM 995 CE1 PHE A 68 -0.524 -0.551 1.218 1.00 1.54 C ATOM 996 CE2 PHE A 68 -1.000 1.658 1.882 1.00 0.41 C ATOM 997 CZ PHE A 68 -0.377 0.470 2.104 1.00 1.02 C ATOM 0 H PHE A 68 -3.509 0.590 -3.659 1.00 0.44 H new ATOM 0 HA PHE A 68 -3.268 -1.138 -1.414 1.00 0.39 H new ATOM 0 HB2 PHE A 68 -2.168 1.190 -2.264 1.00 0.37 H new ATOM 0 HB3 PHE A 68 -3.439 1.884 -1.277 1.00 0.37 H new ATOM 0 HD1 PHE A 68 -1.445 -1.188 -0.642 1.00 1.28 H new ATOM 0 HD2 PHE A 68 -2.298 2.777 0.547 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -0.029 -1.495 1.395 1.00 1.54 H new ATOM 0 HE2 PHE A 68 -0.884 2.469 2.586 1.00 0.41 H new ATOM 0 HZ PHE A 68 0.235 0.337 2.984 1.00 1.02 H new ATOM 1007 N LEU A 69 -5.815 0.949 -1.422 1.00 0.42 N ATOM 1008 CA LEU A 69 -7.104 1.220 -0.809 1.00 0.45 C ATOM 1009 C LEU A 69 -7.802 -0.105 -0.492 1.00 0.42 C ATOM 1010 O LEU A 69 -8.282 -0.307 0.622 1.00 0.43 O ATOM 1011 CB LEU A 69 -7.932 2.155 -1.692 1.00 0.62 C ATOM 1012 CG LEU A 69 -9.392 1.753 -1.912 1.00 1.30 C ATOM 1013 CD1 LEU A 69 -10.120 1.579 -0.577 1.00 2.07 C ATOM 1014 CD2 LEU A 69 -10.104 2.751 -2.827 1.00 1.72 C ATOM 0 H LEU A 69 -5.572 1.568 -2.196 1.00 0.42 H new ATOM 0 HA LEU A 69 -6.973 1.746 0.137 1.00 0.45 H new ATOM 0 HB2 LEU A 69 -7.913 3.151 -1.250 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -7.446 2.229 -2.665 1.00 0.62 H new ATOM 0 HG LEU A 69 -9.408 0.787 -2.416 1.00 1.30 H new ATOM 0 HD11 LEU A 69 -11.156 1.293 -0.762 1.00 2.07 H new ATOM 0 HD12 LEU A 69 -9.628 0.801 0.007 1.00 2.07 H new ATOM 0 HD13 LEU A 69 -10.096 2.518 -0.024 1.00 2.07 H new ATOM 0 HD21 LEU A 69 -11.140 2.442 -2.967 1.00 1.72 H new ATOM 0 HD22 LEU A 69 -10.079 3.742 -2.374 1.00 1.72 H new ATOM 0 HD23 LEU A 69 -9.601 2.782 -3.793 1.00 1.72 H new ATOM 1026 N THR A 70 -7.835 -0.973 -1.493 1.00 0.48 N ATOM 1027 CA THR A 70 -8.466 -2.272 -1.336 1.00 0.55 C ATOM 1028 C THR A 70 -7.645 -3.152 -0.391 1.00 0.53 C ATOM 1029 O THR A 70 -8.204 -3.863 0.443 1.00 0.65 O ATOM 1030 CB THR A 70 -8.649 -2.881 -2.727 1.00 0.63 C ATOM 1031 OG1 THR A 70 -9.788 -2.207 -3.254 1.00 0.79 O ATOM 1032 CG2 THR A 70 -9.076 -4.349 -2.673 1.00 0.76 C ATOM 0 H THR A 70 -7.435 -0.802 -2.415 1.00 0.48 H new ATOM 0 HA THR A 70 -9.449 -2.181 -0.874 1.00 0.55 H new ATOM 0 HB THR A 70 -7.717 -2.795 -3.286 1.00 0.63 H new ATOM 0 HG1 THR A 70 -9.977 -2.540 -4.156 1.00 0.79 H new ATOM 0 HG21 THR A 70 -9.192 -4.732 -3.687 1.00 0.76 H new ATOM 0 HG22 THR A 70 -8.316 -4.930 -2.150 1.00 0.76 H new ATOM 0 HG23 THR A 70 -10.025 -4.433 -2.143 1.00 0.76 H new ATOM 1040 N MET A 71 -6.333 -3.075 -0.553 1.00 0.45 N ATOM 1041 CA MET A 71 -5.429 -3.856 0.276 1.00 0.51 C ATOM 1042 C MET A 71 -5.693 -3.605 1.762 1.00 0.58 C ATOM 1043 O MET A 71 -5.994 -4.535 2.508 1.00 0.71 O ATOM 1044 CB MET A 71 -3.983 -3.485 -0.056 1.00 0.52 C ATOM 1045 CG MET A 71 -2.999 -4.368 0.714 1.00 0.68 C ATOM 1046 SD MET A 71 -1.362 -3.661 0.649 1.00 2.44 S ATOM 1047 CE MET A 71 -0.789 -4.053 2.293 1.00 2.39 C ATOM 0 H MET A 71 -5.873 -2.484 -1.246 1.00 0.45 H new ATOM 0 HA MET A 71 -5.598 -4.913 0.070 1.00 0.51 H new ATOM 0 HB2 MET A 71 -3.813 -3.593 -1.127 1.00 0.52 H new ATOM 0 HB3 MET A 71 -3.807 -2.438 0.190 1.00 0.52 H new ATOM 0 HG2 MET A 71 -3.321 -4.466 1.751 1.00 0.68 H new ATOM 0 HG3 MET A 71 -2.988 -5.371 0.288 1.00 0.68 H new ATOM 0 HE1 MET A 71 0.290 -3.909 2.346 1.00 2.39 H new ATOM 0 HE2 MET A 71 -1.278 -3.399 3.014 1.00 2.39 H new ATOM 0 HE3 MET A 71 -1.029 -5.091 2.524 1.00 2.39 H new ATOM 1057 N MET A 72 -5.571 -2.343 2.147 1.00 0.53 N ATOM 1058 CA MET A 72 -5.793 -1.958 3.530 1.00 0.63 C ATOM 1059 C MET A 72 -7.205 -2.332 3.984 1.00 0.67 C ATOM 1060 O MET A 72 -7.374 -3.094 4.936 1.00 0.80 O ATOM 1061 CB MET A 72 -5.592 -0.449 3.678 1.00 0.61 C ATOM 1062 CG MET A 72 -5.506 -0.049 5.153 1.00 1.16 C ATOM 1063 SD MET A 72 -4.516 1.426 5.329 1.00 2.26 S ATOM 1064 CE MET A 72 -2.890 0.697 5.434 1.00 3.33 C ATOM 0 H MET A 72 -5.321 -1.574 1.525 1.00 0.53 H new ATOM 0 HA MET A 72 -5.078 -2.492 4.155 1.00 0.63 H new ATOM 0 HB2 MET A 72 -4.680 -0.148 3.162 1.00 0.61 H new ATOM 0 HB3 MET A 72 -6.418 0.080 3.202 1.00 0.61 H new ATOM 0 HG2 MET A 72 -6.506 0.125 5.550 1.00 1.16 H new ATOM 0 HG3 MET A 72 -5.069 -0.861 5.734 1.00 1.16 H new ATOM 0 HE1 MET A 72 -2.145 1.484 5.548 1.00 3.33 H new ATOM 0 HE2 MET A 72 -2.846 0.029 6.294 1.00 3.33 H new ATOM 0 HE3 MET A 72 -2.685 0.132 4.525 1.00 3.33 H new ATOM 1074 N ALA A 73 -8.184 -1.780 3.282 1.00 0.61 N ATOM 1075 CA ALA A 73 -9.576 -2.047 3.601 1.00 0.71 C ATOM 1076 C ALA A 73 -9.764 -3.547 3.832 1.00 0.81 C ATOM 1077 O ALA A 73 -10.257 -3.961 4.879 1.00 0.94 O ATOM 1078 CB ALA A 73 -10.468 -1.513 2.479 1.00 0.68 C ATOM 0 H ALA A 73 -8.041 -1.149 2.494 1.00 0.61 H new ATOM 0 HA ALA A 73 -9.864 -1.534 4.519 1.00 0.71 H new ATOM 0 HB1 ALA A 73 -11.512 -1.713 2.718 1.00 0.68 H new ATOM 0 HB2 ALA A 73 -10.319 -0.438 2.376 1.00 0.68 H new ATOM 0 HB3 ALA A 73 -10.209 -2.007 1.542 1.00 0.68 H new ATOM 1084 N ARG A 74 -9.360 -4.322 2.835 1.00 0.78 N ATOM 1085 CA ARG A 74 -9.478 -5.768 2.916 1.00 0.89 C ATOM 1086 C ARG A 74 -8.664 -6.301 4.097 1.00 0.96 C ATOM 1087 O ARG A 74 -8.976 -7.358 4.643 1.00 1.16 O ATOM 1088 CB ARG A 74 -8.990 -6.433 1.628 1.00 0.86 C ATOM 1089 CG ARG A 74 -10.021 -6.282 0.508 1.00 0.90 C ATOM 1090 CD ARG A 74 -10.824 -7.572 0.325 1.00 1.20 C ATOM 1091 NE ARG A 74 -9.975 -8.613 -0.296 1.00 2.85 N ATOM 1092 CZ ARG A 74 -9.351 -9.580 0.389 1.00 4.61 C ATOM 1093 NH1 ARG A 74 -9.476 -9.646 1.721 1.00 5.27 N ATOM 1094 NH2 ARG A 74 -8.601 -10.483 -0.259 1.00 6.25 N ATOM 0 H ARG A 74 -8.951 -3.975 1.967 1.00 0.78 H new ATOM 0 HA ARG A 74 -10.532 -6.008 3.058 1.00 0.89 H new ATOM 0 HB2 ARG A 74 -8.045 -5.986 1.320 1.00 0.86 H new ATOM 0 HB3 ARG A 74 -8.798 -7.490 1.811 1.00 0.86 H new ATOM 0 HG2 ARG A 74 -10.697 -5.458 0.739 1.00 0.90 H new ATOM 0 HG3 ARG A 74 -9.516 -6.028 -0.424 1.00 0.90 H new ATOM 0 HD2 ARG A 74 -11.193 -7.920 1.290 1.00 1.20 H new ATOM 0 HD3 ARG A 74 -11.696 -7.382 -0.300 1.00 1.20 H new ATOM 0 HE ARG A 74 -9.858 -8.593 -1.309 1.00 2.85 H new ATOM 0 HH11 ARG A 74 -10.047 -8.960 2.214 1.00 5.27 H new ATOM 0 HH12 ARG A 74 -9.000 -10.383 2.242 1.00 5.27 H new ATOM 0 HH21 ARG A 74 -8.506 -10.433 -1.273 1.00 6.25 H new ATOM 0 HH22 ARG A 74 -8.126 -11.220 0.262 1.00 6.25 H new ATOM 1108 N LYS A 75 -7.637 -5.545 4.457 1.00 0.84 N ATOM 1109 CA LYS A 75 -6.777 -5.929 5.563 1.00 0.93 C ATOM 1110 C LYS A 75 -7.608 -6.014 6.844 1.00 1.03 C ATOM 1111 O LYS A 75 -7.672 -7.066 7.479 1.00 1.16 O ATOM 1112 CB LYS A 75 -5.582 -4.978 5.667 1.00 0.92 C ATOM 1113 CG LYS A 75 -4.390 -5.667 6.333 1.00 1.03 C ATOM 1114 CD LYS A 75 -3.850 -6.799 5.456 1.00 1.52 C ATOM 1115 CE LYS A 75 -4.365 -8.158 5.935 1.00 1.54 C ATOM 1116 NZ LYS A 75 -3.267 -9.149 5.959 1.00 2.16 N ATOM 0 H LYS A 75 -7.381 -4.669 4.002 1.00 0.84 H new ATOM 0 HA LYS A 75 -6.354 -6.919 5.391 1.00 0.93 H new ATOM 0 HB2 LYS A 75 -5.299 -4.634 4.672 1.00 0.92 H new ATOM 0 HB3 LYS A 75 -5.864 -4.095 6.241 1.00 0.92 H new ATOM 0 HG2 LYS A 75 -3.601 -4.938 6.518 1.00 1.03 H new ATOM 0 HG3 LYS A 75 -4.690 -6.065 7.302 1.00 1.03 H new ATOM 0 HD2 LYS A 75 -4.150 -6.637 4.421 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -2.760 -6.791 5.477 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -4.796 -8.060 6.931 1.00 1.54 H new ATOM 0 HE3 LYS A 75 -5.161 -8.505 5.276 1.00 1.54 H new ATOM 0 HZ1 LYS A 75 -3.634 -10.066 6.286 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 -2.874 -9.255 5.002 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 -2.520 -8.824 6.606 1.00 2.16 H new ATOM 1130 N MET A 76 -8.225 -4.893 7.187 1.00 0.99 N ATOM 1131 CA MET A 76 -9.050 -4.827 8.382 1.00 1.11 C ATOM 1132 C MET A 76 -10.227 -5.801 8.289 1.00 1.17 C ATOM 1133 O MET A 76 -10.768 -6.225 9.309 1.00 1.28 O ATOM 1134 CB MET A 76 -9.579 -3.403 8.560 1.00 1.19 C ATOM 1135 CG MET A 76 -10.482 -3.003 7.391 1.00 1.63 C ATOM 1136 SD MET A 76 -11.740 -1.868 7.951 1.00 2.13 S ATOM 1137 CE MET A 76 -13.201 -2.717 7.375 1.00 3.95 C ATOM 0 H MET A 76 -8.170 -4.022 6.658 1.00 0.99 H new ATOM 0 HA MET A 76 -8.438 -5.106 9.240 1.00 1.11 H new ATOM 0 HB2 MET A 76 -10.135 -3.332 9.495 1.00 1.19 H new ATOM 0 HB3 MET A 76 -8.743 -2.707 8.633 1.00 1.19 H new ATOM 0 HG2 MET A 76 -9.887 -2.540 6.604 1.00 1.63 H new ATOM 0 HG3 MET A 76 -10.947 -3.890 6.960 1.00 1.63 H new ATOM 0 HE1 MET A 76 -14.086 -2.141 7.643 1.00 3.95 H new ATOM 0 HE2 MET A 76 -13.154 -2.827 6.292 1.00 3.95 H new ATOM 0 HE3 MET A 76 -13.256 -3.702 7.838 1.00 3.95 H new ATOM 1147 N LYS A 77 -10.588 -6.128 7.057 1.00 1.18 N ATOM 1148 CA LYS A 77 -11.690 -7.044 6.818 1.00 1.28 C ATOM 1149 C LYS A 77 -11.372 -8.396 7.459 1.00 1.40 C ATOM 1150 O LYS A 77 -12.105 -8.862 8.330 1.00 1.57 O ATOM 1151 CB LYS A 77 -12.001 -7.130 5.323 1.00 1.32 C ATOM 1152 CG LYS A 77 -13.280 -7.932 5.074 1.00 1.67 C ATOM 1153 CD LYS A 77 -13.421 -8.294 3.594 1.00 2.55 C ATOM 1154 CE LYS A 77 -14.441 -7.388 2.902 1.00 2.44 C ATOM 1155 NZ LYS A 77 -14.534 -7.718 1.462 1.00 3.65 N ATOM 0 H LYS A 77 -10.137 -5.775 6.213 1.00 1.18 H new ATOM 0 HA LYS A 77 -12.601 -6.674 7.288 1.00 1.28 H new ATOM 0 HB2 LYS A 77 -12.111 -6.126 4.913 1.00 1.32 H new ATOM 0 HB3 LYS A 77 -11.167 -7.598 4.801 1.00 1.32 H new ATOM 0 HG2 LYS A 77 -13.266 -8.841 5.675 1.00 1.67 H new ATOM 0 HG3 LYS A 77 -14.145 -7.352 5.394 1.00 1.67 H new ATOM 0 HD2 LYS A 77 -12.454 -8.202 3.100 1.00 2.55 H new ATOM 0 HD3 LYS A 77 -13.730 -9.335 3.499 1.00 2.55 H new ATOM 0 HE2 LYS A 77 -15.418 -7.505 3.372 1.00 2.44 H new ATOM 0 HE3 LYS A 77 -14.151 -6.344 3.024 1.00 2.44 H new ATOM 0 HZ1 LYS A 77 -15.231 -7.094 1.007 1.00 3.65 H new ATOM 0 HZ2 LYS A 77 -13.605 -7.584 1.014 1.00 3.65 H new ATOM 0 HZ3 LYS A 77 -14.832 -8.708 1.351 1.00 3.65 H new ATOM 1169 N ASP A 78 -10.278 -8.988 7.003 1.00 1.44 N ATOM 1170 CA ASP A 78 -9.853 -10.278 7.520 1.00 1.67 C ATOM 1171 C ASP A 78 -9.667 -10.178 9.036 1.00 1.78 C ATOM 1172 O ASP A 78 -10.327 -10.887 9.794 1.00 2.02 O ATOM 1173 CB ASP A 78 -8.519 -10.705 6.907 1.00 1.73 C ATOM 1174 CG ASP A 78 -7.878 -11.938 7.548 1.00 3.02 C ATOM 1175 OD1 ASP A 78 -7.279 -11.767 8.632 1.00 4.62 O ATOM 1176 OD2 ASP A 78 -8.000 -13.022 6.939 1.00 3.10 O ATOM 0 H ASP A 78 -9.673 -8.598 6.281 1.00 1.44 H new ATOM 0 HA ASP A 78 -10.617 -11.012 7.265 1.00 1.67 H new ATOM 0 HB2 ASP A 78 -8.671 -10.903 5.846 1.00 1.73 H new ATOM 0 HB3 ASP A 78 -7.820 -9.872 6.979 1.00 1.73 H new ATOM 1181 N THR A 79 -8.765 -9.291 9.432 1.00 1.66 N ATOM 1182 CA THR A 79 -8.484 -9.089 10.843 1.00 1.80 C ATOM 1183 C THR A 79 -9.747 -8.640 11.580 1.00 1.91 C ATOM 1184 O THR A 79 -9.856 -8.810 12.793 1.00 2.27 O ATOM 1185 CB THR A 79 -7.327 -8.095 10.957 1.00 1.69 C ATOM 1186 OG1 THR A 79 -6.780 -8.345 12.249 1.00 2.36 O ATOM 1187 CG2 THR A 79 -7.808 -6.644 11.030 1.00 1.82 C ATOM 0 H THR A 79 -8.220 -8.705 8.800 1.00 1.66 H new ATOM 0 HA THR A 79 -8.180 -10.019 11.323 1.00 1.80 H new ATOM 0 HB THR A 79 -6.660 -8.214 10.103 1.00 1.69 H new ATOM 0 HG1 THR A 79 -6.022 -7.744 12.405 1.00 2.36 H new ATOM 0 HG21 THR A 79 -6.948 -5.979 11.110 1.00 1.82 H new ATOM 0 HG22 THR A 79 -8.371 -6.402 10.129 1.00 1.82 H new ATOM 0 HG23 THR A 79 -8.448 -6.516 11.903 1.00 1.82 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.352 5.819 -6.295 1.00 0.79 CA HETATM 1197 CA CA A 81 0.386 -2.007 -10.212 1.00 0.62 CA