USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 29 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.1) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0536) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00507 (180deg=-0.162) USER MOD Single : A 2 SER OG : rot 100:sc= 1.5 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -96:sc= 0.12 USER MOD Single : A 17 GLN : amide:sc= -1.74 K(o=-1.7,f=0) USER MOD Single : A 19 CYS SG : rot 66:sc= 0.0566 USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.726 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00516 X(o=-0.0052,f=0) USER MOD Single : A 34 SER OG : rot 117:sc= 0.21 USER MOD Single : A 37 SER OG : rot 180:sc= -0.34 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 146:sc= -0.49 (180deg=-2.34!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.28) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00157) USER MOD Single : A 53 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.88) USER MOD Single : A 55 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.26) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 1 K(o=1,f=-8.9!) USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 2.36 (180deg=-0.268) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00984 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -173:sc= 1.19 USER MOD Single : A 83 THR OG1 : rot 127:sc= 0.00297 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.131) USER MOD Single : A 85 SER OG : rot -147:sc= 1.21 USER MOD Single : A 87 MET CE :methyl -131:sc= 0 (180deg=-0.0967) USER MOD Single : A 92 ASN : amide:sc= -0.625 K(o=-0.62,f=-3.1!) USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= 1.06 (180deg=-0.433) USER MOD Single : A 104 GLN : amide:sc= -1.51 K(o=-1.5,f=-8.6!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -37:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.717 5.898 2.817 1.00 3.88 N ATOM 2 CA MET A 1 -16.315 6.329 2.942 1.00 3.46 C ATOM 3 C MET A 1 -15.470 5.083 3.196 1.00 2.12 C ATOM 4 O MET A 1 -15.721 4.401 4.183 1.00 2.08 O ATOM 5 CB MET A 1 -16.143 7.326 4.099 1.00 5.17 C ATOM 6 CG MET A 1 -16.861 8.663 3.862 1.00 6.47 C ATOM 7 SD MET A 1 -16.835 9.818 5.260 1.00 8.94 S ATOM 8 CE MET A 1 -15.071 10.181 5.393 1.00 10.39 C ATOM 0 H1 MET A 1 -18.286 6.677 2.429 1.00 3.88 H new ATOM 0 H2 MET A 1 -17.773 5.078 2.180 1.00 3.88 H new ATOM 0 H3 MET A 1 -18.084 5.634 3.754 1.00 3.88 H new ATOM 0 HA MET A 1 -16.001 6.833 2.028 1.00 3.46 H new ATOM 0 HB2 MET A 1 -16.522 6.876 5.016 1.00 5.17 H new ATOM 0 HB3 MET A 1 -15.080 7.514 4.252 1.00 5.17 H new ATOM 0 HG2 MET A 1 -16.407 9.152 3.000 1.00 6.47 H new ATOM 0 HG3 MET A 1 -17.899 8.457 3.602 1.00 6.47 H new ATOM 0 HE1 MET A 1 -14.913 10.946 6.153 1.00 10.39 H new ATOM 0 HE2 MET A 1 -14.533 9.275 5.673 1.00 10.39 H new ATOM 0 HE3 MET A 1 -14.700 10.541 4.433 1.00 10.39 H new ATOM 20 N SER A 2 -14.544 4.756 2.289 1.00 1.49 N ATOM 21 CA SER A 2 -13.611 3.638 2.424 1.00 1.40 C ATOM 22 C SER A 2 -12.613 3.706 1.264 1.00 1.76 C ATOM 23 O SER A 2 -12.420 2.728 0.549 1.00 3.74 O ATOM 24 CB SER A 2 -14.351 2.285 2.444 1.00 2.05 C ATOM 25 OG SER A 2 -13.438 1.263 2.782 1.00 2.75 O ATOM 0 H SER A 2 -14.421 5.276 1.420 1.00 1.49 H new ATOM 0 HA SER A 2 -13.082 3.716 3.374 1.00 1.40 H new ATOM 0 HB2 SER A 2 -15.167 2.314 3.166 1.00 2.05 H new ATOM 0 HB3 SER A 2 -14.795 2.085 1.469 1.00 2.05 H new ATOM 0 HG SER A 2 -13.532 1.041 3.732 1.00 2.75 H new ATOM 31 N ILE A 3 -12.036 4.892 1.029 1.00 0.58 N ATOM 32 CA ILE A 3 -11.101 5.215 -0.057 1.00 0.51 C ATOM 33 C ILE A 3 -11.776 5.220 -1.450 1.00 0.60 C ATOM 34 O ILE A 3 -11.667 6.188 -2.203 1.00 0.75 O ATOM 35 CB ILE A 3 -9.760 4.443 0.067 1.00 0.61 C ATOM 36 CG1 ILE A 3 -9.574 3.217 -0.844 1.00 1.04 C ATOM 37 CG2 ILE A 3 -9.444 4.033 1.518 1.00 0.66 C ATOM 38 CD1 ILE A 3 -8.947 3.584 -2.191 1.00 1.58 C ATOM 0 H ILE A 3 -12.220 5.698 1.626 1.00 0.58 H new ATOM 0 HA ILE A 3 -10.797 6.255 0.061 1.00 0.51 H new ATOM 0 HB ILE A 3 -9.050 5.189 -0.289 1.00 0.61 H new ATOM 0 HG12 ILE A 3 -8.943 2.485 -0.340 1.00 1.04 H new ATOM 0 HG13 ILE A 3 -10.541 2.743 -1.013 1.00 1.04 H new ATOM 0 HG21 ILE A 3 -8.496 3.497 1.546 1.00 0.66 H new ATOM 0 HG22 ILE A 3 -9.375 4.925 2.141 1.00 0.66 H new ATOM 0 HG23 ILE A 3 -10.237 3.387 1.895 1.00 0.66 H new ATOM 0 HD11 ILE A 3 -8.836 2.685 -2.798 1.00 1.58 H new ATOM 0 HD12 ILE A 3 -9.590 4.295 -2.710 1.00 1.58 H new ATOM 0 HD13 ILE A 3 -7.968 4.033 -2.026 1.00 1.58 H new ATOM 50 N THR A 4 -12.538 4.161 -1.733 1.00 0.68 N ATOM 51 CA THR A 4 -13.368 3.819 -2.862 1.00 0.99 C ATOM 52 C THR A 4 -14.157 4.973 -3.470 1.00 0.95 C ATOM 53 O THR A 4 -14.425 4.952 -4.669 1.00 1.38 O ATOM 54 CB THR A 4 -14.291 2.684 -2.383 1.00 1.41 C ATOM 55 OG1 THR A 4 -14.834 2.069 -3.508 1.00 1.58 O ATOM 56 CG2 THR A 4 -15.410 3.137 -1.437 1.00 1.93 C ATOM 0 H THR A 4 -12.583 3.406 -1.049 1.00 0.68 H new ATOM 0 HA THR A 4 -12.725 3.514 -3.687 1.00 0.99 H new ATOM 0 HB THR A 4 -13.684 1.994 -1.797 1.00 1.41 H new ATOM 0 HG1 THR A 4 -15.426 1.340 -3.228 1.00 1.58 H new ATOM 0 HG21 THR A 4 -16.013 2.276 -1.148 1.00 1.93 H new ATOM 0 HG22 THR A 4 -14.973 3.589 -0.547 1.00 1.93 H new ATOM 0 HG23 THR A 4 -16.041 3.868 -1.943 1.00 1.93 H new ATOM 64 N ASP A 5 -14.526 5.965 -2.659 1.00 0.88 N ATOM 65 CA ASP A 5 -15.092 7.202 -3.162 1.00 1.00 C ATOM 66 C ASP A 5 -14.629 8.358 -2.279 1.00 0.93 C ATOM 67 O ASP A 5 -15.424 9.047 -1.644 1.00 1.58 O ATOM 68 CB ASP A 5 -16.616 7.083 -3.273 1.00 1.63 C ATOM 69 CG ASP A 5 -17.235 8.314 -3.926 1.00 2.32 C ATOM 70 OD1 ASP A 5 -16.516 8.976 -4.704 1.00 3.59 O ATOM 71 OD2 ASP A 5 -18.432 8.549 -3.649 1.00 2.57 O ATOM 0 H ASP A 5 -14.439 5.928 -1.643 1.00 0.88 H new ATOM 0 HA ASP A 5 -14.736 7.407 -4.172 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -16.870 6.197 -3.855 1.00 1.63 H new ATOM 0 HB3 ASP A 5 -17.043 6.945 -2.280 1.00 1.63 H new ATOM 76 N VAL A 6 -13.305 8.500 -2.175 1.00 0.55 N ATOM 77 CA VAL A 6 -12.656 9.616 -1.488 1.00 0.53 C ATOM 78 C VAL A 6 -11.833 10.421 -2.494 1.00 0.45 C ATOM 79 O VAL A 6 -12.043 11.618 -2.670 1.00 0.49 O ATOM 80 CB VAL A 6 -11.794 9.088 -0.327 1.00 0.68 C ATOM 81 CG1 VAL A 6 -11.028 10.221 0.372 1.00 1.20 C ATOM 82 CG2 VAL A 6 -12.673 8.374 0.708 1.00 1.75 C ATOM 0 H VAL A 6 -12.645 7.832 -2.572 1.00 0.55 H new ATOM 0 HA VAL A 6 -13.406 10.281 -1.060 1.00 0.53 H new ATOM 0 HB VAL A 6 -11.074 8.389 -0.753 1.00 0.68 H new ATOM 0 HG11 VAL A 6 -10.431 9.809 1.186 1.00 1.20 H new ATOM 0 HG12 VAL A 6 -10.372 10.714 -0.346 1.00 1.20 H new ATOM 0 HG13 VAL A 6 -11.736 10.946 0.773 1.00 1.20 H new ATOM 0 HG21 VAL A 6 -12.050 8.006 1.523 1.00 1.75 H new ATOM 0 HG22 VAL A 6 -13.411 9.073 1.102 1.00 1.75 H new ATOM 0 HG23 VAL A 6 -13.184 7.535 0.235 1.00 1.75 H new ATOM 92 N LEU A 7 -10.870 9.752 -3.128 1.00 0.47 N ATOM 93 CA LEU A 7 -9.946 10.326 -4.099 1.00 0.51 C ATOM 94 C LEU A 7 -9.219 9.152 -4.733 1.00 0.56 C ATOM 95 O LEU A 7 -9.349 8.894 -5.928 1.00 0.55 O ATOM 96 CB LEU A 7 -8.955 11.284 -3.409 1.00 0.58 C ATOM 97 CG LEU A 7 -7.688 11.593 -4.234 1.00 0.71 C ATOM 98 CD1 LEU A 7 -8.010 12.242 -5.584 1.00 0.99 C ATOM 99 CD2 LEU A 7 -6.762 12.510 -3.432 1.00 1.47 C ATOM 0 H LEU A 7 -10.708 8.757 -2.971 1.00 0.47 H new ATOM 0 HA LEU A 7 -10.472 10.914 -4.851 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -9.467 12.220 -3.188 1.00 0.58 H new ATOM 0 HB3 LEU A 7 -8.656 10.852 -2.454 1.00 0.58 H new ATOM 0 HG LEU A 7 -7.196 10.642 -4.439 1.00 0.71 H new ATOM 0 HD11 LEU A 7 -7.083 12.438 -6.124 1.00 0.99 H new ATOM 0 HD12 LEU A 7 -8.636 11.570 -6.171 1.00 0.99 H new ATOM 0 HD13 LEU A 7 -8.540 13.180 -5.419 1.00 0.99 H new ATOM 0 HD21 LEU A 7 -5.868 12.726 -4.017 1.00 1.47 H new ATOM 0 HD22 LEU A 7 -7.281 13.441 -3.204 1.00 1.47 H new ATOM 0 HD23 LEU A 7 -6.477 12.017 -2.503 1.00 1.47 H new ATOM 111 N SER A 8 -8.517 8.404 -3.877 1.00 0.66 N ATOM 112 CA SER A 8 -7.612 7.337 -4.241 1.00 0.72 C ATOM 113 C SER A 8 -8.251 6.293 -5.154 1.00 0.64 C ATOM 114 O SER A 8 -7.533 5.586 -5.839 1.00 0.56 O ATOM 115 CB SER A 8 -7.010 6.741 -2.965 1.00 1.02 C ATOM 116 OG SER A 8 -7.878 6.958 -1.862 1.00 0.88 O ATOM 0 H SER A 8 -8.575 8.541 -2.868 1.00 0.66 H new ATOM 0 HA SER A 8 -6.805 7.752 -4.845 1.00 0.72 H new ATOM 0 HB2 SER A 8 -6.842 5.672 -3.099 1.00 1.02 H new ATOM 0 HB3 SER A 8 -6.039 7.194 -2.767 1.00 1.02 H new ATOM 0 HG SER A 8 -7.594 7.759 -1.375 1.00 0.88 H new ATOM 122 N ALA A 9 -9.580 6.194 -5.197 1.00 0.71 N ATOM 123 CA ALA A 9 -10.301 5.393 -6.176 1.00 0.73 C ATOM 124 C ALA A 9 -9.863 5.655 -7.624 1.00 0.60 C ATOM 125 O ALA A 9 -9.749 4.720 -8.416 1.00 0.65 O ATOM 126 CB ALA A 9 -11.787 5.693 -6.024 1.00 0.94 C ATOM 0 H ALA A 9 -10.192 6.678 -4.540 1.00 0.71 H new ATOM 0 HA ALA A 9 -10.078 4.344 -5.981 1.00 0.73 H new ATOM 0 HB1 ALA A 9 -12.353 5.105 -6.747 1.00 0.94 H new ATOM 0 HB2 ALA A 9 -12.109 5.435 -5.015 1.00 0.94 H new ATOM 0 HB3 ALA A 9 -11.964 6.754 -6.201 1.00 0.94 H new ATOM 132 N ASP A 10 -9.627 6.916 -7.990 1.00 0.53 N ATOM 133 CA ASP A 10 -9.125 7.230 -9.324 1.00 0.49 C ATOM 134 C ASP A 10 -7.668 6.770 -9.437 1.00 0.45 C ATOM 135 O ASP A 10 -7.245 6.150 -10.415 1.00 0.53 O ATOM 136 CB ASP A 10 -9.268 8.732 -9.581 1.00 0.49 C ATOM 137 CG ASP A 10 -8.914 9.068 -11.022 1.00 0.57 C ATOM 138 OD1 ASP A 10 -9.834 8.977 -11.863 1.00 1.85 O ATOM 139 OD2 ASP A 10 -7.738 9.413 -11.259 1.00 1.63 O ATOM 0 H ASP A 10 -9.774 7.726 -7.388 1.00 0.53 H new ATOM 0 HA ASP A 10 -9.705 6.704 -10.083 1.00 0.49 H new ATOM 0 HB2 ASP A 10 -10.290 9.046 -9.370 1.00 0.49 H new ATOM 0 HB3 ASP A 10 -8.618 9.285 -8.903 1.00 0.49 H new ATOM 144 N ASP A 11 -6.902 7.028 -8.379 1.00 0.42 N ATOM 145 CA ASP A 11 -5.471 6.814 -8.354 1.00 0.45 C ATOM 146 C ASP A 11 -5.172 5.319 -8.478 1.00 0.39 C ATOM 147 O ASP A 11 -4.314 4.912 -9.256 1.00 0.39 O ATOM 148 CB ASP A 11 -4.880 7.420 -7.077 1.00 0.60 C ATOM 149 CG ASP A 11 -5.126 8.916 -6.918 1.00 1.36 C ATOM 150 OD1 ASP A 11 -6.282 9.269 -6.604 1.00 2.27 O ATOM 151 OD2 ASP A 11 -4.145 9.678 -7.063 1.00 2.48 O ATOM 0 H ASP A 11 -7.272 7.398 -7.504 1.00 0.42 H new ATOM 0 HA ASP A 11 -5.001 7.314 -9.201 1.00 0.45 H new ATOM 0 HB2 ASP A 11 -5.300 6.901 -6.215 1.00 0.60 H new ATOM 0 HB3 ASP A 11 -3.805 7.238 -7.066 1.00 0.60 H new ATOM 156 N ILE A 12 -5.901 4.465 -7.754 1.00 0.43 N ATOM 157 CA ILE A 12 -5.763 3.030 -7.861 1.00 0.48 C ATOM 158 C ILE A 12 -6.032 2.557 -9.290 1.00 0.49 C ATOM 159 O ILE A 12 -5.327 1.678 -9.781 1.00 0.54 O ATOM 160 CB ILE A 12 -6.619 2.292 -6.826 1.00 0.55 C ATOM 161 CG1 ILE A 12 -8.124 2.494 -7.024 1.00 0.57 C ATOM 162 CG2 ILE A 12 -6.136 2.576 -5.395 1.00 0.59 C ATOM 163 CD1 ILE A 12 -8.995 1.695 -6.057 1.00 0.77 C ATOM 0 H ILE A 12 -6.604 4.762 -7.077 1.00 0.43 H new ATOM 0 HA ILE A 12 -4.728 2.778 -7.630 1.00 0.48 H new ATOM 0 HB ILE A 12 -6.472 1.225 -6.995 1.00 0.55 H new ATOM 0 HG12 ILE A 12 -8.355 3.553 -6.913 1.00 0.57 H new ATOM 0 HG13 ILE A 12 -8.385 2.216 -8.045 1.00 0.57 H new ATOM 0 HG21 ILE A 12 -6.764 2.038 -4.685 1.00 0.59 H new ATOM 0 HG22 ILE A 12 -5.103 2.246 -5.288 1.00 0.59 H new ATOM 0 HG23 ILE A 12 -6.198 3.646 -5.196 1.00 0.59 H new ATOM 0 HD11 ILE A 12 -10.046 1.895 -6.264 1.00 0.77 H new ATOM 0 HD12 ILE A 12 -8.796 0.631 -6.183 1.00 0.77 H new ATOM 0 HD13 ILE A 12 -8.765 1.989 -5.033 1.00 0.77 H new ATOM 175 N ALA A 13 -7.021 3.144 -9.975 1.00 0.50 N ATOM 176 CA ALA A 13 -7.298 2.812 -11.366 1.00 0.58 C ATOM 177 C ALA A 13 -6.062 3.106 -12.223 1.00 0.56 C ATOM 178 O ALA A 13 -5.671 2.290 -13.058 1.00 0.62 O ATOM 179 CB ALA A 13 -8.546 3.541 -11.870 1.00 0.64 C ATOM 0 H ALA A 13 -7.641 3.852 -9.582 1.00 0.50 H new ATOM 0 HA ALA A 13 -7.514 1.746 -11.445 1.00 0.58 H new ATOM 0 HB1 ALA A 13 -8.728 3.274 -12.911 1.00 0.64 H new ATOM 0 HB2 ALA A 13 -9.406 3.251 -11.265 1.00 0.64 H new ATOM 0 HB3 ALA A 13 -8.394 4.618 -11.793 1.00 0.64 H new ATOM 185 N ALA A 14 -5.411 4.250 -11.988 1.00 0.50 N ATOM 186 CA ALA A 14 -4.139 4.554 -12.634 1.00 0.51 C ATOM 187 C ALA A 14 -3.092 3.487 -12.284 1.00 0.48 C ATOM 188 O ALA A 14 -2.528 2.850 -13.175 1.00 0.51 O ATOM 189 CB ALA A 14 -3.666 5.964 -12.267 1.00 0.51 C ATOM 0 H ALA A 14 -5.747 4.977 -11.356 1.00 0.50 H new ATOM 0 HA ALA A 14 -4.280 4.534 -13.715 1.00 0.51 H new ATOM 0 HB1 ALA A 14 -2.716 6.169 -12.760 1.00 0.51 H new ATOM 0 HB2 ALA A 14 -4.408 6.693 -12.592 1.00 0.51 H new ATOM 0 HB3 ALA A 14 -3.537 6.035 -11.187 1.00 0.51 H new ATOM 195 N ALA A 15 -2.839 3.276 -10.987 1.00 0.44 N ATOM 196 CA ALA A 15 -1.836 2.353 -10.464 1.00 0.43 C ATOM 197 C ALA A 15 -1.967 0.973 -11.094 1.00 0.49 C ATOM 198 O ALA A 15 -0.983 0.378 -11.534 1.00 0.51 O ATOM 199 CB ALA A 15 -1.960 2.251 -8.942 1.00 0.42 C ATOM 0 H ALA A 15 -3.348 3.763 -10.249 1.00 0.44 H new ATOM 0 HA ALA A 15 -0.852 2.746 -10.720 1.00 0.43 H new ATOM 0 HB1 ALA A 15 -1.208 1.560 -8.561 1.00 0.42 H new ATOM 0 HB2 ALA A 15 -1.808 3.235 -8.498 1.00 0.42 H new ATOM 0 HB3 ALA A 15 -2.953 1.885 -8.682 1.00 0.42 H new ATOM 205 N LEU A 16 -3.208 0.489 -11.140 1.00 0.55 N ATOM 206 CA LEU A 16 -3.553 -0.790 -11.729 1.00 0.62 C ATOM 207 C LEU A 16 -2.946 -0.895 -13.118 1.00 0.63 C ATOM 208 O LEU A 16 -2.414 -1.942 -13.473 1.00 0.68 O ATOM 209 CB LEU A 16 -5.080 -0.967 -11.826 1.00 0.65 C ATOM 210 CG LEU A 16 -5.720 -1.677 -10.625 1.00 2.08 C ATOM 211 CD1 LEU A 16 -7.245 -1.561 -10.749 1.00 2.85 C ATOM 212 CD2 LEU A 16 -5.356 -3.169 -10.589 1.00 3.22 C ATOM 0 H LEU A 16 -4.011 0.990 -10.760 1.00 0.55 H new ATOM 0 HA LEU A 16 -3.155 -1.576 -11.087 1.00 0.62 H new ATOM 0 HB2 LEU A 16 -5.540 0.015 -11.938 1.00 0.65 H new ATOM 0 HB3 LEU A 16 -5.310 -1.531 -12.730 1.00 0.65 H new ATOM 0 HG LEU A 16 -5.351 -1.207 -9.713 1.00 2.08 H new ATOM 0 HD11 LEU A 16 -7.718 -2.060 -9.903 1.00 2.85 H new ATOM 0 HD12 LEU A 16 -7.531 -0.509 -10.755 1.00 2.85 H new ATOM 0 HD13 LEU A 16 -7.571 -2.031 -11.677 1.00 2.85 H new ATOM 0 HD21 LEU A 16 -5.827 -3.638 -9.725 1.00 3.22 H new ATOM 0 HD22 LEU A 16 -5.708 -3.652 -11.501 1.00 3.22 H new ATOM 0 HD23 LEU A 16 -4.274 -3.278 -10.516 1.00 3.22 H new ATOM 224 N GLN A 17 -3.062 0.170 -13.918 1.00 0.61 N ATOM 225 CA GLN A 17 -2.601 0.165 -15.296 1.00 0.63 C ATOM 226 C GLN A 17 -1.090 0.368 -15.335 1.00 0.65 C ATOM 227 O GLN A 17 -0.388 -0.326 -16.063 1.00 0.70 O ATOM 228 CB GLN A 17 -3.349 1.234 -16.116 1.00 0.64 C ATOM 229 CG GLN A 17 -4.276 0.627 -17.181 1.00 1.24 C ATOM 230 CD GLN A 17 -5.602 0.082 -16.646 1.00 2.94 C ATOM 231 OE1 GLN A 17 -6.647 0.307 -17.246 1.00 3.73 O ATOM 232 NE2 GLN A 17 -5.592 -0.654 -15.540 1.00 4.51 N ATOM 0 H GLN A 17 -3.478 1.053 -13.623 1.00 0.61 H new ATOM 0 HA GLN A 17 -2.820 -0.801 -15.751 1.00 0.63 H new ATOM 0 HB2 GLN A 17 -3.937 1.857 -15.442 1.00 0.64 H new ATOM 0 HB3 GLN A 17 -2.623 1.886 -16.602 1.00 0.64 H new ATOM 0 HG2 GLN A 17 -4.489 1.387 -17.932 1.00 1.24 H new ATOM 0 HG3 GLN A 17 -3.745 -0.180 -17.686 1.00 1.24 H new ATOM 0 HE21 GLN A 17 -4.713 -0.831 -15.053 1.00 4.51 H new ATOM 0 HE22 GLN A 17 -6.463 -1.042 -15.178 1.00 4.51 H new ATOM 241 N GLU A 18 -0.590 1.341 -14.578 1.00 0.64 N ATOM 242 CA GLU A 18 0.793 1.757 -14.706 1.00 0.65 C ATOM 243 C GLU A 18 1.755 0.667 -14.209 1.00 0.68 C ATOM 244 O GLU A 18 2.858 0.534 -14.733 1.00 0.82 O ATOM 245 CB GLU A 18 0.959 3.161 -14.111 1.00 0.65 C ATOM 246 CG GLU A 18 1.172 3.226 -12.595 1.00 0.89 C ATOM 247 CD GLU A 18 2.620 3.505 -12.220 1.00 1.43 C ATOM 248 OE1 GLU A 18 3.209 4.430 -12.823 1.00 2.27 O ATOM 249 OE2 GLU A 18 3.111 2.817 -11.301 1.00 2.74 O ATOM 0 H GLU A 18 -1.124 1.851 -13.874 1.00 0.64 H new ATOM 0 HA GLU A 18 1.080 1.863 -15.752 1.00 0.65 H new ATOM 0 HB2 GLU A 18 1.807 3.643 -14.598 1.00 0.65 H new ATOM 0 HB3 GLU A 18 0.074 3.746 -14.359 1.00 0.65 H new ATOM 0 HG2 GLU A 18 0.535 4.005 -12.175 1.00 0.89 H new ATOM 0 HG3 GLU A 18 0.860 2.283 -12.147 1.00 0.89 H new ATOM 256 N CYS A 19 1.307 -0.164 -13.260 1.00 0.65 N ATOM 257 CA CYS A 19 2.005 -1.361 -12.801 1.00 0.70 C ATOM 258 C CYS A 19 1.196 -2.604 -13.214 1.00 0.66 C ATOM 259 O CYS A 19 0.938 -3.492 -12.403 1.00 0.80 O ATOM 260 CB CYS A 19 2.229 -1.262 -11.290 1.00 0.85 C ATOM 261 SG CYS A 19 3.539 -0.052 -10.963 1.00 1.36 S ATOM 0 H CYS A 19 0.421 -0.013 -12.778 1.00 0.65 H new ATOM 0 HA CYS A 19 2.988 -1.450 -13.264 1.00 0.70 H new ATOM 0 HB2 CYS A 19 1.307 -0.962 -10.792 1.00 0.85 H new ATOM 0 HB3 CYS A 19 2.507 -2.236 -10.886 1.00 0.85 H new ATOM 0 HG CYS A 19 3.133 1.133 -11.312 1.00 1.36 H new ATOM 267 N ARG A 20 0.792 -2.689 -14.493 1.00 0.57 N ATOM 268 CA ARG A 20 0.062 -3.845 -15.022 1.00 0.58 C ATOM 269 C ARG A 20 1.010 -5.023 -15.177 1.00 0.55 C ATOM 270 O ARG A 20 0.607 -6.177 -14.996 1.00 0.66 O ATOM 271 CB ARG A 20 -0.559 -3.549 -16.405 1.00 0.71 C ATOM 272 CG ARG A 20 -2.093 -3.558 -16.399 1.00 1.32 C ATOM 273 CD ARG A 20 -2.690 -4.963 -16.283 1.00 2.50 C ATOM 274 NE ARG A 20 -2.447 -5.739 -17.508 1.00 2.94 N ATOM 275 CZ ARG A 20 -2.860 -6.997 -17.720 1.00 4.25 C ATOM 276 NH1 ARG A 20 -3.527 -7.648 -16.760 1.00 5.54 N ATOM 277 NH2 ARG A 20 -2.610 -7.593 -18.891 1.00 4.76 N ATOM 0 H ARG A 20 0.963 -1.959 -15.184 1.00 0.57 H new ATOM 0 HA ARG A 20 -0.736 -4.073 -14.316 1.00 0.58 H new ATOM 0 HB2 ARG A 20 -0.210 -2.576 -16.751 1.00 0.71 H new ATOM 0 HB3 ARG A 20 -0.202 -4.289 -17.121 1.00 0.71 H new ATOM 0 HG2 ARG A 20 -2.450 -2.949 -15.568 1.00 1.32 H new ATOM 0 HG3 ARG A 20 -2.456 -3.091 -17.315 1.00 1.32 H new ATOM 0 HD2 ARG A 20 -2.253 -5.479 -15.428 1.00 2.50 H new ATOM 0 HD3 ARG A 20 -3.762 -4.893 -16.099 1.00 2.50 H new ATOM 0 HE ARG A 20 -1.923 -5.284 -18.256 1.00 2.94 H new ATOM 0 HH11 ARG A 20 -3.720 -7.187 -15.871 1.00 5.54 H new ATOM 0 HH12 ARG A 20 -3.843 -8.605 -16.918 1.00 5.54 H new ATOM 0 HH21 ARG A 20 -2.106 -7.091 -19.622 1.00 4.76 H new ATOM 0 HH22 ARG A 20 -2.924 -8.550 -19.053 1.00 4.76 H new ATOM 291 N ASP A 21 2.266 -4.736 -15.509 1.00 0.63 N ATOM 292 CA ASP A 21 3.279 -5.703 -15.881 1.00 0.67 C ATOM 293 C ASP A 21 3.924 -6.273 -14.622 1.00 0.64 C ATOM 294 O ASP A 21 4.043 -5.549 -13.631 1.00 0.57 O ATOM 295 CB ASP A 21 4.282 -4.999 -16.791 1.00 0.73 C ATOM 296 CG ASP A 21 3.697 -4.839 -18.186 1.00 0.95 C ATOM 297 OD1 ASP A 21 3.039 -3.800 -18.408 1.00 1.86 O ATOM 298 OD2 ASP A 21 3.862 -5.791 -18.977 1.00 1.96 O ATOM 0 H ASP A 21 2.615 -3.778 -15.525 1.00 0.63 H new ATOM 0 HA ASP A 21 2.853 -6.547 -16.424 1.00 0.67 H new ATOM 0 HB2 ASP A 21 4.535 -4.022 -16.380 1.00 0.73 H new ATOM 0 HB3 ASP A 21 5.207 -5.574 -16.839 1.00 0.73 H new ATOM 303 N PRO A 22 4.237 -7.577 -14.586 1.00 0.75 N ATOM 304 CA PRO A 22 4.671 -8.238 -13.369 1.00 0.80 C ATOM 305 C PRO A 22 5.942 -7.590 -12.836 1.00 0.82 C ATOM 306 O PRO A 22 6.755 -7.076 -13.602 1.00 1.21 O ATOM 307 CB PRO A 22 4.863 -9.712 -13.728 1.00 1.01 C ATOM 308 CG PRO A 22 5.119 -9.673 -15.235 1.00 1.06 C ATOM 309 CD PRO A 22 4.253 -8.503 -15.704 1.00 0.90 C ATOM 0 HA PRO A 22 3.938 -8.146 -12.567 1.00 0.80 H new ATOM 0 HB2 PRO A 22 5.701 -10.152 -13.188 1.00 1.01 H new ATOM 0 HB3 PRO A 22 3.981 -10.304 -13.484 1.00 1.01 H new ATOM 0 HG2 PRO A 22 6.173 -9.510 -15.461 1.00 1.06 H new ATOM 0 HG3 PRO A 22 4.830 -10.607 -15.717 1.00 1.06 H new ATOM 0 HD2 PRO A 22 4.669 -8.037 -16.597 1.00 0.90 H new ATOM 0 HD3 PRO A 22 3.246 -8.834 -15.957 1.00 0.90 H new ATOM 317 N ASP A 23 6.076 -7.622 -11.513 1.00 0.65 N ATOM 318 CA ASP A 23 7.240 -7.200 -10.759 1.00 0.70 C ATOM 319 C ASP A 23 7.694 -5.787 -11.173 1.00 0.63 C ATOM 320 O ASP A 23 8.890 -5.531 -11.296 1.00 0.78 O ATOM 321 CB ASP A 23 8.336 -8.281 -10.870 1.00 0.91 C ATOM 322 CG ASP A 23 7.914 -9.653 -10.336 1.00 1.60 C ATOM 323 OD1 ASP A 23 6.700 -9.955 -10.342 1.00 2.65 O ATOM 324 OD2 ASP A 23 8.812 -10.389 -9.868 1.00 2.36 O ATOM 0 H ASP A 23 5.329 -7.964 -10.909 1.00 0.65 H new ATOM 0 HA ASP A 23 6.992 -7.109 -9.702 1.00 0.70 H new ATOM 0 HB2 ASP A 23 8.627 -8.383 -11.916 1.00 0.91 H new ATOM 0 HB3 ASP A 23 9.219 -7.946 -10.325 1.00 0.91 H new ATOM 329 N THR A 24 6.733 -4.871 -11.362 1.00 0.73 N ATOM 330 CA THR A 24 6.963 -3.476 -11.745 1.00 0.70 C ATOM 331 C THR A 24 6.662 -2.495 -10.618 1.00 0.70 C ATOM 332 O THR A 24 7.195 -1.387 -10.603 1.00 1.04 O ATOM 333 CB THR A 24 6.164 -3.130 -13.016 1.00 0.71 C ATOM 334 OG1 THR A 24 6.335 -4.136 -13.984 1.00 0.76 O ATOM 335 CG2 THR A 24 6.602 -1.812 -13.659 1.00 0.81 C ATOM 0 H THR A 24 5.744 -5.091 -11.248 1.00 0.73 H new ATOM 0 HA THR A 24 8.027 -3.373 -11.959 1.00 0.70 H new ATOM 0 HB THR A 24 5.125 -3.042 -12.698 1.00 0.71 H new ATOM 0 HG1 THR A 24 5.639 -4.817 -13.874 1.00 0.76 H new ATOM 0 HG21 THR A 24 6.002 -1.624 -14.549 1.00 0.81 H new ATOM 0 HG22 THR A 24 6.463 -0.997 -12.949 1.00 0.81 H new ATOM 0 HG23 THR A 24 7.654 -1.875 -13.937 1.00 0.81 H new ATOM 343 N PHE A 25 5.807 -2.883 -9.680 1.00 0.58 N ATOM 344 CA PHE A 25 5.383 -2.035 -8.590 1.00 0.63 C ATOM 345 C PHE A 25 6.574 -1.450 -7.814 1.00 0.61 C ATOM 346 O PHE A 25 7.269 -2.189 -7.118 1.00 0.88 O ATOM 347 CB PHE A 25 4.466 -2.856 -7.678 1.00 0.85 C ATOM 348 CG PHE A 25 3.000 -2.470 -7.770 1.00 1.11 C ATOM 349 CD1 PHE A 25 2.607 -1.172 -7.403 1.00 2.04 C ATOM 350 CD2 PHE A 25 2.066 -3.331 -8.378 1.00 2.25 C ATOM 351 CE1 PHE A 25 1.301 -0.729 -7.670 1.00 2.84 C ATOM 352 CE2 PHE A 25 0.741 -2.908 -8.585 1.00 3.13 C ATOM 353 CZ PHE A 25 0.359 -1.602 -8.236 1.00 3.15 C ATOM 0 H PHE A 25 5.386 -3.812 -9.661 1.00 0.58 H new ATOM 0 HA PHE A 25 4.841 -1.178 -8.989 1.00 0.63 H new ATOM 0 HB2 PHE A 25 4.570 -3.911 -7.930 1.00 0.85 H new ATOM 0 HB3 PHE A 25 4.798 -2.740 -6.646 1.00 0.85 H new ATOM 0 HD1 PHE A 25 3.310 -0.514 -6.915 1.00 2.04 H new ATOM 0 HD2 PHE A 25 2.369 -4.321 -8.687 1.00 2.25 H new ATOM 0 HE1 PHE A 25 1.020 0.288 -7.439 1.00 2.84 H new ATOM 0 HE2 PHE A 25 0.018 -3.587 -9.012 1.00 3.13 H new ATOM 0 HZ PHE A 25 -0.655 -1.271 -8.403 1.00 3.15 H new ATOM 363 N GLU A 26 6.778 -0.128 -7.895 1.00 0.60 N ATOM 364 CA GLU A 26 7.778 0.606 -7.119 1.00 0.58 C ATOM 365 C GLU A 26 7.095 1.350 -5.958 1.00 0.61 C ATOM 366 O GLU A 26 5.911 1.681 -6.053 1.00 0.57 O ATOM 367 CB GLU A 26 8.519 1.619 -8.011 1.00 0.53 C ATOM 368 CG GLU A 26 9.999 1.310 -8.275 1.00 0.76 C ATOM 369 CD GLU A 26 10.792 2.614 -8.271 1.00 1.47 C ATOM 370 OE1 GLU A 26 10.553 3.422 -9.194 1.00 1.94 O ATOM 371 OE2 GLU A 26 11.547 2.814 -7.296 1.00 2.63 O ATOM 0 H GLU A 26 6.237 0.472 -8.518 1.00 0.60 H new ATOM 0 HA GLU A 26 8.499 -0.108 -6.722 1.00 0.58 H new ATOM 0 HB2 GLU A 26 8.002 1.679 -8.969 1.00 0.53 H new ATOM 0 HB3 GLU A 26 8.449 2.603 -7.548 1.00 0.53 H new ATOM 0 HG2 GLU A 26 10.384 0.634 -7.511 1.00 0.76 H new ATOM 0 HG3 GLU A 26 10.112 0.805 -9.234 1.00 0.76 H new ATOM 378 N PRO A 27 7.839 1.662 -4.883 1.00 0.75 N ATOM 379 CA PRO A 27 7.302 2.296 -3.691 1.00 0.83 C ATOM 380 C PRO A 27 6.865 3.738 -3.951 1.00 0.74 C ATOM 381 O PRO A 27 5.675 3.985 -4.111 1.00 0.59 O ATOM 382 CB PRO A 27 8.397 2.162 -2.630 1.00 1.02 C ATOM 383 CG PRO A 27 9.694 2.041 -3.434 1.00 1.09 C ATOM 384 CD PRO A 27 9.246 1.338 -4.711 1.00 0.88 C ATOM 0 HA PRO A 27 6.385 1.815 -3.350 1.00 0.83 H new ATOM 0 HB2 PRO A 27 8.418 3.029 -1.970 1.00 1.02 H new ATOM 0 HB3 PRO A 27 8.236 1.286 -2.001 1.00 1.02 H new ATOM 0 HG2 PRO A 27 10.131 3.017 -3.644 1.00 1.09 H new ATOM 0 HG3 PRO A 27 10.447 1.463 -2.899 1.00 1.09 H new ATOM 0 HD2 PRO A 27 9.830 1.676 -5.567 1.00 0.88 H new ATOM 0 HD3 PRO A 27 9.390 0.260 -4.633 1.00 0.88 H new ATOM 392 N GLN A 28 7.808 4.688 -4.006 1.00 0.87 N ATOM 393 CA GLN A 28 7.527 6.108 -4.217 1.00 0.87 C ATOM 394 C GLN A 28 6.607 6.309 -5.424 1.00 0.73 C ATOM 395 O GLN A 28 5.628 7.054 -5.356 1.00 0.72 O ATOM 396 CB GLN A 28 8.843 6.886 -4.350 1.00 1.03 C ATOM 397 CG GLN A 28 9.594 6.932 -3.011 1.00 0.97 C ATOM 398 CD GLN A 28 10.912 7.690 -3.136 1.00 1.25 C ATOM 399 OE1 GLN A 28 10.981 8.882 -2.869 1.00 2.88 O ATOM 400 NE2 GLN A 28 11.978 7.010 -3.547 1.00 1.22 N ATOM 0 H GLN A 28 8.802 4.485 -3.903 1.00 0.87 H new ATOM 0 HA GLN A 28 6.995 6.502 -3.351 1.00 0.87 H new ATOM 0 HB2 GLN A 28 9.471 6.417 -5.107 1.00 1.03 H new ATOM 0 HB3 GLN A 28 8.637 7.901 -4.690 1.00 1.03 H new ATOM 0 HG2 GLN A 28 8.968 7.410 -2.258 1.00 0.97 H new ATOM 0 HG3 GLN A 28 9.788 5.916 -2.666 1.00 0.97 H new ATOM 0 HE21 GLN A 28 11.897 6.017 -3.764 1.00 1.22 H new ATOM 0 HE22 GLN A 28 12.877 7.482 -3.645 1.00 1.22 H new ATOM 409 N LYS A 29 6.906 5.585 -6.506 1.00 0.66 N ATOM 410 CA LYS A 29 6.049 5.466 -7.673 1.00 0.48 C ATOM 411 C LYS A 29 4.598 5.234 -7.241 1.00 0.44 C ATOM 412 O LYS A 29 3.747 6.085 -7.498 1.00 0.44 O ATOM 413 CB LYS A 29 6.587 4.325 -8.545 1.00 0.46 C ATOM 414 CG LYS A 29 5.851 4.033 -9.858 1.00 0.52 C ATOM 415 CD LYS A 29 5.950 5.138 -10.919 1.00 1.20 C ATOM 416 CE LYS A 29 4.877 6.227 -10.747 1.00 2.55 C ATOM 417 NZ LYS A 29 4.323 6.659 -12.043 1.00 3.31 N ATOM 0 H LYS A 29 7.774 5.055 -6.590 1.00 0.66 H new ATOM 0 HA LYS A 29 6.056 6.386 -8.257 1.00 0.48 H new ATOM 0 HB2 LYS A 29 7.627 4.545 -8.784 1.00 0.46 H new ATOM 0 HB3 LYS A 29 6.583 3.414 -7.947 1.00 0.46 H new ATOM 0 HG2 LYS A 29 6.246 3.109 -10.280 1.00 0.52 H new ATOM 0 HG3 LYS A 29 4.798 3.858 -9.635 1.00 0.52 H new ATOM 0 HD2 LYS A 29 6.938 5.596 -10.869 1.00 1.20 H new ATOM 0 HD3 LYS A 29 5.855 4.694 -11.910 1.00 1.20 H new ATOM 0 HE2 LYS A 29 4.073 5.849 -10.116 1.00 2.55 H new ATOM 0 HE3 LYS A 29 5.309 7.085 -10.232 1.00 2.55 H new ATOM 0 HZ1 LYS A 29 3.454 7.207 -11.884 1.00 3.31 H new ATOM 0 HZ2 LYS A 29 5.020 7.251 -12.538 1.00 3.31 H new ATOM 0 HZ3 LYS A 29 4.104 5.824 -12.623 1.00 3.31 H new ATOM 431 N PHE A 30 4.309 4.112 -6.572 1.00 0.52 N ATOM 432 CA PHE A 30 2.954 3.798 -6.139 1.00 0.59 C ATOM 433 C PHE A 30 2.426 4.866 -5.180 1.00 0.61 C ATOM 434 O PHE A 30 1.284 5.287 -5.309 1.00 0.63 O ATOM 435 CB PHE A 30 2.886 2.388 -5.525 1.00 0.65 C ATOM 436 CG PHE A 30 1.505 1.835 -5.172 1.00 0.68 C ATOM 437 CD1 PHE A 30 0.357 2.202 -5.901 1.00 2.03 C ATOM 438 CD2 PHE A 30 1.389 0.815 -4.209 1.00 1.90 C ATOM 439 CE1 PHE A 30 -0.895 1.631 -5.610 1.00 2.11 C ATOM 440 CE2 PHE A 30 0.145 0.217 -3.939 1.00 2.00 C ATOM 441 CZ PHE A 30 -1.004 0.645 -4.619 1.00 1.07 C ATOM 0 H PHE A 30 5.003 3.408 -6.321 1.00 0.52 H new ATOM 0 HA PHE A 30 2.304 3.801 -7.014 1.00 0.59 H new ATOM 0 HB2 PHE A 30 3.357 1.695 -6.222 1.00 0.65 H new ATOM 0 HB3 PHE A 30 3.490 2.387 -4.618 1.00 0.65 H new ATOM 0 HD1 PHE A 30 0.439 2.931 -6.693 1.00 2.03 H new ATOM 0 HD2 PHE A 30 2.266 0.488 -3.671 1.00 1.90 H new ATOM 0 HE1 PHE A 30 -1.773 1.952 -6.150 1.00 2.11 H new ATOM 0 HE2 PHE A 30 0.075 -0.573 -3.206 1.00 2.00 H new ATOM 0 HZ PHE A 30 -1.967 0.218 -4.381 1.00 1.07 H new ATOM 451 N PHE A 31 3.235 5.341 -4.231 1.00 0.69 N ATOM 452 CA PHE A 31 2.811 6.347 -3.265 1.00 0.74 C ATOM 453 C PHE A 31 2.287 7.600 -3.974 1.00 0.69 C ATOM 454 O PHE A 31 1.324 8.211 -3.507 1.00 0.85 O ATOM 455 CB PHE A 31 3.948 6.712 -2.300 1.00 0.94 C ATOM 456 CG PHE A 31 4.675 5.576 -1.598 1.00 1.31 C ATOM 457 CD1 PHE A 31 4.055 4.332 -1.358 1.00 2.94 C ATOM 458 CD2 PHE A 31 5.966 5.809 -1.090 1.00 2.49 C ATOM 459 CE1 PHE A 31 4.750 3.319 -0.674 1.00 4.39 C ATOM 460 CE2 PHE A 31 6.687 4.772 -0.481 1.00 3.91 C ATOM 461 CZ PHE A 31 6.080 3.524 -0.270 1.00 4.60 C ATOM 0 H PHE A 31 4.202 5.037 -4.114 1.00 0.69 H new ATOM 0 HA PHE A 31 1.999 5.916 -2.679 1.00 0.74 H new ATOM 0 HB2 PHE A 31 4.687 7.289 -2.856 1.00 0.94 H new ATOM 0 HB3 PHE A 31 3.539 7.371 -1.534 1.00 0.94 H new ATOM 0 HD1 PHE A 31 3.046 4.157 -1.700 1.00 2.94 H new ATOM 0 HD2 PHE A 31 6.405 6.793 -1.170 1.00 2.49 H new ATOM 0 HE1 PHE A 31 4.260 2.381 -0.459 1.00 4.39 H new ATOM 0 HE2 PHE A 31 7.710 4.934 -0.174 1.00 3.91 H new ATOM 0 HZ PHE A 31 6.633 2.725 0.201 1.00 4.60 H new ATOM 471 N GLN A 32 2.904 8.000 -5.091 1.00 0.59 N ATOM 472 CA GLN A 32 2.389 9.104 -5.889 1.00 0.65 C ATOM 473 C GLN A 32 1.183 8.646 -6.700 1.00 0.59 C ATOM 474 O GLN A 32 0.120 9.256 -6.627 1.00 0.69 O ATOM 475 CB GLN A 32 3.494 9.728 -6.748 1.00 0.77 C ATOM 476 CG GLN A 32 2.979 11.028 -7.388 1.00 2.08 C ATOM 477 CD GLN A 32 4.091 11.865 -8.011 1.00 2.09 C ATOM 478 OE1 GLN A 32 4.171 13.068 -7.787 1.00 3.00 O ATOM 479 NE2 GLN A 32 4.956 11.247 -8.808 1.00 2.22 N ATOM 0 H GLN A 32 3.756 7.575 -5.457 1.00 0.59 H new ATOM 0 HA GLN A 32 2.044 9.897 -5.226 1.00 0.65 H new ATOM 0 HB2 GLN A 32 4.371 9.935 -6.135 1.00 0.77 H new ATOM 0 HB3 GLN A 32 3.805 9.028 -7.523 1.00 0.77 H new ATOM 0 HG2 GLN A 32 2.243 10.783 -8.154 1.00 2.08 H new ATOM 0 HG3 GLN A 32 2.466 11.621 -6.631 1.00 2.08 H new ATOM 0 HE21 GLN A 32 4.867 10.245 -8.978 1.00 2.22 H new ATOM 0 HE22 GLN A 32 5.709 11.774 -9.250 1.00 2.22 H new ATOM 488 N THR A 33 1.329 7.566 -7.465 1.00 0.49 N ATOM 489 CA THR A 33 0.332 7.116 -8.412 1.00 0.51 C ATOM 490 C THR A 33 -0.956 6.642 -7.731 1.00 0.58 C ATOM 491 O THR A 33 -1.971 6.524 -8.406 1.00 0.90 O ATOM 492 CB THR A 33 0.977 6.077 -9.351 1.00 0.44 C ATOM 493 OG1 THR A 33 0.879 6.552 -10.666 1.00 0.51 O ATOM 494 CG2 THR A 33 0.349 4.691 -9.297 1.00 0.46 C ATOM 0 H THR A 33 2.160 6.975 -7.438 1.00 0.49 H new ATOM 0 HA THR A 33 -0.001 7.955 -9.023 1.00 0.51 H new ATOM 0 HB THR A 33 2.007 5.960 -9.015 1.00 0.44 H new ATOM 0 HG1 THR A 33 1.286 5.905 -11.279 1.00 0.51 H new ATOM 0 HG21 THR A 33 0.868 4.029 -9.990 1.00 0.46 H new ATOM 0 HG22 THR A 33 0.431 4.294 -8.285 1.00 0.46 H new ATOM 0 HG23 THR A 33 -0.702 4.757 -9.577 1.00 0.46 H new ATOM 502 N SER A 34 -0.905 6.355 -6.425 1.00 0.48 N ATOM 503 CA SER A 34 -2.037 5.967 -5.594 1.00 0.61 C ATOM 504 C SER A 34 -2.612 7.176 -4.841 1.00 0.76 C ATOM 505 O SER A 34 -3.548 7.034 -4.056 1.00 1.16 O ATOM 506 CB SER A 34 -1.582 4.890 -4.600 1.00 0.65 C ATOM 507 OG SER A 34 -2.656 4.085 -4.153 1.00 1.46 O ATOM 0 H SER A 34 -0.031 6.390 -5.900 1.00 0.48 H new ATOM 0 HA SER A 34 -2.825 5.571 -6.234 1.00 0.61 H new ATOM 0 HB2 SER A 34 -0.829 4.258 -5.071 1.00 0.65 H new ATOM 0 HB3 SER A 34 -1.107 5.367 -3.743 1.00 0.65 H new ATOM 0 HG SER A 34 -2.509 3.158 -4.434 1.00 1.46 H new ATOM 513 N GLY A 35 -1.996 8.358 -4.962 1.00 0.61 N ATOM 514 CA GLY A 35 -2.478 9.573 -4.311 1.00 0.73 C ATOM 515 C GLY A 35 -2.069 9.644 -2.836 1.00 0.54 C ATOM 516 O GLY A 35 -2.017 10.724 -2.250 1.00 0.54 O ATOM 0 H GLY A 35 -1.150 8.495 -5.515 1.00 0.61 H new ATOM 0 HA2 GLY A 35 -2.086 10.444 -4.837 1.00 0.73 H new ATOM 0 HA3 GLY A 35 -3.564 9.617 -4.387 1.00 0.73 H new ATOM 520 N LEU A 36 -1.764 8.494 -2.233 1.00 0.63 N ATOM 521 CA LEU A 36 -1.320 8.318 -0.862 1.00 0.52 C ATOM 522 C LEU A 36 -0.320 9.379 -0.389 1.00 0.50 C ATOM 523 O LEU A 36 -0.495 9.935 0.687 1.00 0.51 O ATOM 524 CB LEU A 36 -0.754 6.895 -0.716 1.00 0.53 C ATOM 525 CG LEU A 36 -1.759 5.873 -0.162 1.00 0.98 C ATOM 526 CD1 LEU A 36 -2.050 6.141 1.317 1.00 2.76 C ATOM 527 CD2 LEU A 36 -3.073 5.805 -0.952 1.00 1.50 C ATOM 0 H LEU A 36 -1.827 7.605 -2.729 1.00 0.63 H new ATOM 0 HA LEU A 36 -2.182 8.453 -0.209 1.00 0.52 H new ATOM 0 HB2 LEU A 36 -0.404 6.553 -1.690 1.00 0.53 H new ATOM 0 HB3 LEU A 36 0.115 6.927 -0.059 1.00 0.53 H new ATOM 0 HG LEU A 36 -1.280 4.900 -0.273 1.00 0.98 H new ATOM 0 HD11 LEU A 36 -2.764 5.405 1.687 1.00 2.76 H new ATOM 0 HD12 LEU A 36 -1.125 6.068 1.889 1.00 2.76 H new ATOM 0 HD13 LEU A 36 -2.469 7.141 1.430 1.00 2.76 H new ATOM 0 HD21 LEU A 36 -3.731 5.062 -0.501 1.00 1.50 H new ATOM 0 HD22 LEU A 36 -3.560 6.780 -0.933 1.00 1.50 H new ATOM 0 HD23 LEU A 36 -2.863 5.525 -1.984 1.00 1.50 H new ATOM 539 N SER A 37 0.724 9.674 -1.168 1.00 0.57 N ATOM 540 CA SER A 37 1.722 10.671 -0.780 1.00 0.72 C ATOM 541 C SER A 37 1.147 12.086 -0.778 1.00 0.68 C ATOM 542 O SER A 37 1.652 12.960 -0.075 1.00 0.80 O ATOM 543 CB SER A 37 2.935 10.607 -1.712 1.00 1.01 C ATOM 544 OG SER A 37 2.507 10.724 -3.050 1.00 2.02 O ATOM 0 H SER A 37 0.899 9.235 -2.072 1.00 0.57 H new ATOM 0 HA SER A 37 2.033 10.434 0.238 1.00 0.72 H new ATOM 0 HB2 SER A 37 3.634 11.408 -1.471 1.00 1.01 H new ATOM 0 HB3 SER A 37 3.467 9.666 -1.570 1.00 1.01 H new ATOM 0 HG SER A 37 3.284 10.685 -3.646 1.00 2.02 H new ATOM 550 N LYS A 38 0.109 12.327 -1.582 1.00 0.64 N ATOM 551 CA LYS A 38 -0.541 13.619 -1.639 1.00 0.75 C ATOM 552 C LYS A 38 -1.464 13.731 -0.437 1.00 0.71 C ATOM 553 O LYS A 38 -1.625 14.808 0.137 1.00 0.86 O ATOM 554 CB LYS A 38 -1.354 13.769 -2.933 1.00 0.83 C ATOM 555 CG LYS A 38 -1.343 15.236 -3.382 1.00 1.04 C ATOM 556 CD LYS A 38 -2.599 15.581 -4.188 1.00 2.22 C ATOM 557 CE LYS A 38 -2.507 17.030 -4.689 1.00 2.77 C ATOM 558 NZ LYS A 38 -3.801 17.529 -5.198 1.00 4.23 N ATOM 0 H LYS A 38 -0.296 11.629 -2.206 1.00 0.64 H new ATOM 0 HA LYS A 38 0.211 14.408 -1.626 1.00 0.75 H new ATOM 0 HB2 LYS A 38 -0.933 13.136 -3.714 1.00 0.83 H new ATOM 0 HB3 LYS A 38 -2.379 13.436 -2.771 1.00 0.83 H new ATOM 0 HG2 LYS A 38 -1.279 15.885 -2.509 1.00 1.04 H new ATOM 0 HG3 LYS A 38 -0.456 15.427 -3.987 1.00 1.04 H new ATOM 0 HD2 LYS A 38 -2.700 14.899 -5.032 1.00 2.22 H new ATOM 0 HD3 LYS A 38 -3.487 15.455 -3.569 1.00 2.22 H new ATOM 0 HE2 LYS A 38 -2.166 17.672 -3.877 1.00 2.77 H new ATOM 0 HE3 LYS A 38 -1.759 17.092 -5.480 1.00 2.77 H new ATOM 0 HZ1 LYS A 38 -3.690 18.510 -5.525 1.00 4.23 H new ATOM 0 HZ2 LYS A 38 -4.115 16.933 -5.990 1.00 4.23 H new ATOM 0 HZ3 LYS A 38 -4.509 17.495 -4.437 1.00 4.23 H new ATOM 572 N MET A 39 -2.108 12.613 -0.091 1.00 0.54 N ATOM 573 CA MET A 39 -2.947 12.557 1.078 1.00 0.57 C ATOM 574 C MET A 39 -2.101 12.811 2.328 1.00 0.77 C ATOM 575 O MET A 39 -0.965 12.357 2.439 1.00 1.78 O ATOM 576 CB MET A 39 -3.669 11.210 1.131 1.00 0.50 C ATOM 577 CG MET A 39 -4.771 11.039 0.075 1.00 0.80 C ATOM 578 SD MET A 39 -6.396 11.804 0.374 1.00 2.42 S ATOM 579 CE MET A 39 -6.130 13.550 -0.024 1.00 3.74 C ATOM 0 H MET A 39 -2.055 11.739 -0.615 1.00 0.54 H new ATOM 0 HA MET A 39 -3.710 13.334 1.033 1.00 0.57 H new ATOM 0 HB2 MET A 39 -2.936 10.413 1.006 1.00 0.50 H new ATOM 0 HB3 MET A 39 -4.109 11.086 2.121 1.00 0.50 H new ATOM 0 HG2 MET A 39 -4.389 11.432 -0.867 1.00 0.80 H new ATOM 0 HG3 MET A 39 -4.930 9.970 -0.066 1.00 0.80 H new ATOM 0 HE1 MET A 39 -7.038 13.966 -0.460 1.00 3.74 H new ATOM 0 HE2 MET A 39 -5.880 14.097 0.885 1.00 3.74 H new ATOM 0 HE3 MET A 39 -5.311 13.640 -0.738 1.00 3.74 H new ATOM 589 N SER A 40 -2.645 13.579 3.272 1.00 0.58 N ATOM 590 CA SER A 40 -1.931 13.903 4.491 1.00 0.58 C ATOM 591 C SER A 40 -1.915 12.691 5.422 1.00 0.45 C ATOM 592 O SER A 40 -2.743 11.784 5.297 1.00 0.37 O ATOM 593 CB SER A 40 -2.599 15.114 5.151 1.00 0.78 C ATOM 594 OG SER A 40 -3.980 14.857 5.331 1.00 2.02 O ATOM 0 H SER A 40 -3.579 13.985 3.209 1.00 0.58 H new ATOM 0 HA SER A 40 -0.895 14.158 4.267 1.00 0.58 H new ATOM 0 HB2 SER A 40 -2.129 15.322 6.112 1.00 0.78 H new ATOM 0 HB3 SER A 40 -2.462 16.000 4.531 1.00 0.78 H new ATOM 0 HG SER A 40 -4.404 15.632 5.755 1.00 2.02 H new ATOM 600 N ALA A 41 -0.999 12.708 6.397 1.00 0.50 N ATOM 601 CA ALA A 41 -0.873 11.679 7.422 1.00 0.48 C ATOM 602 C ALA A 41 -2.225 11.293 8.024 1.00 0.41 C ATOM 603 O ALA A 41 -2.447 10.127 8.326 1.00 0.43 O ATOM 604 CB ALA A 41 0.085 12.154 8.516 1.00 0.61 C ATOM 0 H ALA A 41 -0.312 13.456 6.493 1.00 0.50 H new ATOM 0 HA ALA A 41 -0.470 10.784 6.947 1.00 0.48 H new ATOM 0 HB1 ALA A 41 0.176 11.382 9.280 1.00 0.61 H new ATOM 0 HB2 ALA A 41 1.065 12.352 8.081 1.00 0.61 H new ATOM 0 HB3 ALA A 41 -0.302 13.067 8.968 1.00 0.61 H new ATOM 610 N ASN A 42 -3.134 12.262 8.180 1.00 0.43 N ATOM 611 CA ASN A 42 -4.514 12.010 8.588 1.00 0.47 C ATOM 612 C ASN A 42 -5.139 10.908 7.729 1.00 0.41 C ATOM 613 O ASN A 42 -5.548 9.863 8.236 1.00 0.46 O ATOM 614 CB ASN A 42 -5.345 13.303 8.477 1.00 0.59 C ATOM 615 CG ASN A 42 -5.707 13.872 9.844 1.00 1.36 C ATOM 616 OD1 ASN A 42 -6.849 13.785 10.277 1.00 2.77 O ATOM 617 ND2 ASN A 42 -4.741 14.465 10.539 1.00 2.01 N ATOM 0 H ASN A 42 -2.928 13.249 8.025 1.00 0.43 H new ATOM 0 HA ASN A 42 -4.511 11.678 9.626 1.00 0.47 H new ATOM 0 HB2 ASN A 42 -4.783 14.047 7.913 1.00 0.59 H new ATOM 0 HB3 ASN A 42 -6.257 13.100 7.916 1.00 0.59 H new ATOM 0 HD21 ASN A 42 -4.943 14.861 11.457 1.00 2.01 H new ATOM 0 HD22 ASN A 42 -3.798 14.523 10.154 1.00 2.01 H new ATOM 624 N GLN A 43 -5.207 11.142 6.417 1.00 0.38 N ATOM 625 CA GLN A 43 -5.840 10.204 5.508 1.00 0.36 C ATOM 626 C GLN A 43 -4.999 8.939 5.398 1.00 0.33 C ATOM 627 O GLN A 43 -5.557 7.848 5.417 1.00 0.36 O ATOM 628 CB GLN A 43 -6.110 10.841 4.136 1.00 0.39 C ATOM 629 CG GLN A 43 -7.566 11.315 4.001 1.00 0.64 C ATOM 630 CD GLN A 43 -8.584 10.175 4.063 1.00 1.20 C ATOM 631 OE1 GLN A 43 -9.554 10.250 4.807 1.00 2.53 O ATOM 632 NE2 GLN A 43 -8.382 9.112 3.289 1.00 1.92 N ATOM 0 H GLN A 43 -4.829 11.976 5.967 1.00 0.38 H new ATOM 0 HA GLN A 43 -6.813 9.928 5.914 1.00 0.36 H new ATOM 0 HB2 GLN A 43 -5.438 11.687 3.990 1.00 0.39 H new ATOM 0 HB3 GLN A 43 -5.889 10.118 3.350 1.00 0.39 H new ATOM 0 HG2 GLN A 43 -7.783 12.029 4.795 1.00 0.64 H new ATOM 0 HG3 GLN A 43 -7.682 11.845 3.055 1.00 0.64 H new ATOM 0 HE21 GLN A 43 -7.566 9.074 2.678 1.00 1.92 H new ATOM 0 HE22 GLN A 43 -9.043 8.335 3.307 1.00 1.92 H new ATOM 641 N VAL A 44 -3.670 9.047 5.301 1.00 0.32 N ATOM 642 CA VAL A 44 -2.848 7.851 5.209 1.00 0.33 C ATOM 643 C VAL A 44 -3.058 6.971 6.450 1.00 0.34 C ATOM 644 O VAL A 44 -3.129 5.753 6.324 1.00 0.39 O ATOM 645 CB VAL A 44 -1.378 8.229 4.986 1.00 0.44 C ATOM 646 CG1 VAL A 44 -0.530 6.959 4.851 1.00 0.61 C ATOM 647 CG2 VAL A 44 -1.221 9.080 3.718 1.00 0.42 C ATOM 0 H VAL A 44 -3.157 9.929 5.285 1.00 0.32 H new ATOM 0 HA VAL A 44 -3.153 7.261 4.345 1.00 0.33 H new ATOM 0 HB VAL A 44 -1.040 8.810 5.844 1.00 0.44 H new ATOM 0 HG11 VAL A 44 0.513 7.233 4.693 1.00 0.61 H new ATOM 0 HG12 VAL A 44 -0.615 6.366 5.762 1.00 0.61 H new ATOM 0 HG13 VAL A 44 -0.884 6.374 4.002 1.00 0.61 H new ATOM 0 HG21 VAL A 44 -0.171 9.336 3.580 1.00 0.42 H new ATOM 0 HG22 VAL A 44 -1.573 8.515 2.855 1.00 0.42 H new ATOM 0 HG23 VAL A 44 -1.807 9.993 3.818 1.00 0.42 H new ATOM 657 N LYS A 45 -3.201 7.562 7.639 1.00 0.36 N ATOM 658 CA LYS A 45 -3.529 6.819 8.848 1.00 0.45 C ATOM 659 C LYS A 45 -4.914 6.176 8.716 1.00 0.48 C ATOM 660 O LYS A 45 -5.073 4.991 9.014 1.00 0.58 O ATOM 661 CB LYS A 45 -3.440 7.727 10.082 1.00 0.58 C ATOM 662 CG LYS A 45 -3.541 6.910 11.378 1.00 0.78 C ATOM 663 CD LYS A 45 -3.486 7.852 12.591 1.00 1.42 C ATOM 664 CE LYS A 45 -3.513 7.094 13.926 1.00 1.92 C ATOM 665 NZ LYS A 45 -2.271 6.326 14.173 1.00 2.77 N ATOM 0 H LYS A 45 -3.092 8.566 7.786 1.00 0.36 H new ATOM 0 HA LYS A 45 -2.801 6.018 8.980 1.00 0.45 H new ATOM 0 HB2 LYS A 45 -2.498 8.275 10.067 1.00 0.58 H new ATOM 0 HB3 LYS A 45 -4.240 8.467 10.051 1.00 0.58 H new ATOM 0 HG2 LYS A 45 -4.471 6.341 11.389 1.00 0.78 H new ATOM 0 HG3 LYS A 45 -2.726 6.188 11.429 1.00 0.78 H new ATOM 0 HD2 LYS A 45 -2.580 8.455 12.538 1.00 1.42 H new ATOM 0 HD3 LYS A 45 -4.330 8.541 12.551 1.00 1.42 H new ATOM 0 HE2 LYS A 45 -3.664 7.804 14.739 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -4.364 6.413 13.935 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -2.336 5.848 15.094 1.00 2.77 H new ATOM 0 HZ2 LYS A 45 -2.146 5.617 13.423 1.00 2.77 H new ATOM 0 HZ3 LYS A 45 -1.457 6.974 14.176 1.00 2.77 H new ATOM 679 N ASP A 46 -5.920 6.951 8.298 1.00 0.45 N ATOM 680 CA ASP A 46 -7.277 6.439 8.142 1.00 0.49 C ATOM 681 C ASP A 46 -7.294 5.225 7.207 1.00 0.47 C ATOM 682 O ASP A 46 -7.683 4.128 7.610 1.00 0.51 O ATOM 683 CB ASP A 46 -8.220 7.536 7.647 1.00 0.52 C ATOM 684 CG ASP A 46 -9.642 7.001 7.612 1.00 1.63 C ATOM 685 OD1 ASP A 46 -10.302 7.089 8.668 1.00 2.17 O ATOM 686 OD2 ASP A 46 -10.025 6.483 6.542 1.00 3.12 O ATOM 0 H ASP A 46 -5.815 7.938 8.062 1.00 0.45 H new ATOM 0 HA ASP A 46 -7.634 6.113 9.119 1.00 0.49 H new ATOM 0 HB2 ASP A 46 -8.162 8.404 8.304 1.00 0.52 H new ATOM 0 HB3 ASP A 46 -7.920 7.868 6.653 1.00 0.52 H new ATOM 691 N VAL A 47 -6.807 5.400 5.974 1.00 0.43 N ATOM 692 CA VAL A 47 -6.734 4.299 5.026 1.00 0.44 C ATOM 693 C VAL A 47 -5.892 3.168 5.618 1.00 0.45 C ATOM 694 O VAL A 47 -6.329 2.020 5.597 1.00 0.45 O ATOM 695 CB VAL A 47 -6.271 4.742 3.623 1.00 0.45 C ATOM 696 CG1 VAL A 47 -7.058 5.953 3.107 1.00 0.48 C ATOM 697 CG2 VAL A 47 -4.779 5.001 3.497 1.00 0.53 C ATOM 0 H VAL A 47 -6.461 6.291 5.617 1.00 0.43 H new ATOM 0 HA VAL A 47 -7.741 3.916 4.863 1.00 0.44 H new ATOM 0 HB VAL A 47 -6.487 3.879 2.994 1.00 0.45 H new ATOM 0 HG11 VAL A 47 -6.696 6.227 2.116 1.00 0.48 H new ATOM 0 HG12 VAL A 47 -8.117 5.701 3.049 1.00 0.48 H new ATOM 0 HG13 VAL A 47 -6.922 6.793 3.788 1.00 0.48 H new ATOM 0 HG21 VAL A 47 -4.548 5.307 2.477 1.00 0.53 H new ATOM 0 HG22 VAL A 47 -4.487 5.792 4.188 1.00 0.53 H new ATOM 0 HG23 VAL A 47 -4.230 4.090 3.736 1.00 0.53 H new ATOM 707 N PHE A 48 -4.717 3.482 6.185 1.00 0.50 N ATOM 708 CA PHE A 48 -3.848 2.507 6.836 1.00 0.59 C ATOM 709 C PHE A 48 -4.652 1.604 7.761 1.00 0.58 C ATOM 710 O PHE A 48 -4.505 0.393 7.666 1.00 0.67 O ATOM 711 CB PHE A 48 -2.682 3.171 7.578 1.00 0.71 C ATOM 712 CG PHE A 48 -1.926 2.242 8.509 1.00 1.41 C ATOM 713 CD1 PHE A 48 -2.420 2.004 9.808 1.00 2.90 C ATOM 714 CD2 PHE A 48 -0.830 1.502 8.032 1.00 2.64 C ATOM 715 CE1 PHE A 48 -1.876 0.972 10.588 1.00 4.02 C ATOM 716 CE2 PHE A 48 -0.204 0.562 8.868 1.00 3.68 C ATOM 717 CZ PHE A 48 -0.740 0.282 10.139 1.00 4.05 C ATOM 0 H PHE A 48 -4.345 4.432 6.201 1.00 0.50 H new ATOM 0 HA PHE A 48 -3.407 1.890 6.053 1.00 0.59 H new ATOM 0 HB2 PHE A 48 -1.985 3.579 6.846 1.00 0.71 H new ATOM 0 HB3 PHE A 48 -3.066 4.012 8.155 1.00 0.71 H new ATOM 0 HD1 PHE A 48 -3.217 2.616 10.203 1.00 2.90 H new ATOM 0 HD2 PHE A 48 -0.470 1.656 7.025 1.00 2.64 H new ATOM 0 HE1 PHE A 48 -2.331 0.710 11.532 1.00 4.02 H new ATOM 0 HE2 PHE A 48 0.689 0.054 8.535 1.00 3.68 H new ATOM 0 HZ PHE A 48 -0.277 -0.464 10.768 1.00 4.05 H new ATOM 727 N ARG A 49 -5.513 2.153 8.627 1.00 0.56 N ATOM 728 CA ARG A 49 -6.341 1.306 9.482 1.00 0.62 C ATOM 729 C ARG A 49 -7.147 0.299 8.661 1.00 0.66 C ATOM 730 O ARG A 49 -7.279 -0.852 9.065 1.00 0.86 O ATOM 731 CB ARG A 49 -7.295 2.126 10.353 1.00 0.73 C ATOM 732 CG ARG A 49 -6.562 2.908 11.450 1.00 0.97 C ATOM 733 CD ARG A 49 -7.584 3.520 12.414 1.00 1.27 C ATOM 734 NE ARG A 49 -8.314 2.469 13.145 1.00 2.10 N ATOM 735 CZ ARG A 49 -9.481 2.627 13.789 1.00 2.84 C ATOM 736 NH1 ARG A 49 -10.052 3.835 13.850 1.00 3.09 N ATOM 737 NH2 ARG A 49 -10.069 1.576 14.371 1.00 3.91 N ATOM 0 H ARG A 49 -5.650 3.156 8.750 1.00 0.56 H new ATOM 0 HA ARG A 49 -5.653 0.767 10.134 1.00 0.62 H new ATOM 0 HB2 ARG A 49 -7.849 2.822 9.723 1.00 0.73 H new ATOM 0 HB3 ARG A 49 -8.026 1.460 10.812 1.00 0.73 H new ATOM 0 HG2 ARG A 49 -5.886 2.247 11.992 1.00 0.97 H new ATOM 0 HG3 ARG A 49 -5.951 3.693 11.005 1.00 0.97 H new ATOM 0 HD2 ARG A 49 -7.075 4.174 13.122 1.00 1.27 H new ATOM 0 HD3 ARG A 49 -8.289 4.138 11.858 1.00 1.27 H new ATOM 0 HE ARG A 49 -7.895 1.539 13.163 1.00 2.10 H new ATOM 0 HH11 ARG A 49 -9.601 4.635 13.407 1.00 3.09 H new ATOM 0 HH12 ARG A 49 -10.939 3.956 14.339 1.00 3.09 H new ATOM 0 HH21 ARG A 49 -9.631 0.656 14.325 1.00 3.91 H new ATOM 0 HH22 ARG A 49 -10.956 1.694 14.861 1.00 3.91 H new ATOM 751 N PHE A 50 -7.690 0.723 7.517 1.00 0.57 N ATOM 752 CA PHE A 50 -8.409 -0.178 6.632 1.00 0.70 C ATOM 753 C PHE A 50 -7.463 -1.255 6.089 1.00 0.78 C ATOM 754 O PHE A 50 -7.844 -2.417 5.997 1.00 0.97 O ATOM 755 CB PHE A 50 -9.108 0.610 5.512 1.00 0.71 C ATOM 756 CG PHE A 50 -10.530 0.145 5.257 1.00 1.44 C ATOM 757 CD1 PHE A 50 -10.765 -1.082 4.609 1.00 3.07 C ATOM 758 CD2 PHE A 50 -11.613 0.871 5.789 1.00 2.12 C ATOM 759 CE1 PHE A 50 -12.075 -1.582 4.497 1.00 3.84 C ATOM 760 CE2 PHE A 50 -12.920 0.362 5.691 1.00 2.96 C ATOM 761 CZ PHE A 50 -13.151 -0.868 5.051 1.00 3.41 C ATOM 0 H PHE A 50 -7.642 1.687 7.187 1.00 0.57 H new ATOM 0 HA PHE A 50 -9.190 -0.689 7.195 1.00 0.70 H new ATOM 0 HB2 PHE A 50 -9.119 1.668 5.773 1.00 0.71 H new ATOM 0 HB3 PHE A 50 -8.530 0.514 4.593 1.00 0.71 H new ATOM 0 HD1 PHE A 50 -9.938 -1.641 4.197 1.00 3.07 H new ATOM 0 HD2 PHE A 50 -11.439 1.821 6.273 1.00 2.12 H new ATOM 0 HE1 PHE A 50 -12.254 -2.516 3.985 1.00 3.84 H new ATOM 0 HE2 PHE A 50 -13.747 0.917 6.108 1.00 2.96 H new ATOM 0 HZ PHE A 50 -14.154 -1.264 4.985 1.00 3.41 H new ATOM 771 N ILE A 51 -6.229 -0.889 5.718 1.00 0.76 N ATOM 772 CA ILE A 51 -5.244 -1.869 5.264 1.00 0.95 C ATOM 773 C ILE A 51 -4.860 -2.828 6.410 1.00 0.91 C ATOM 774 O ILE A 51 -4.762 -4.034 6.171 1.00 1.47 O ATOM 775 CB ILE A 51 -4.032 -1.223 4.549 1.00 1.15 C ATOM 776 CG1 ILE A 51 -4.370 -0.570 3.193 1.00 1.48 C ATOM 777 CG2 ILE A 51 -2.997 -2.297 4.181 1.00 1.39 C ATOM 778 CD1 ILE A 51 -5.095 0.765 3.289 1.00 1.66 C ATOM 0 H ILE A 51 -5.894 0.074 5.724 1.00 0.76 H new ATOM 0 HA ILE A 51 -5.712 -2.478 4.491 1.00 0.95 H new ATOM 0 HB ILE A 51 -3.678 -0.475 5.258 1.00 1.15 H new ATOM 0 HG12 ILE A 51 -3.445 -0.425 2.635 1.00 1.48 H new ATOM 0 HG13 ILE A 51 -4.985 -1.261 2.617 1.00 1.48 H new ATOM 0 HG21 ILE A 51 -2.150 -1.829 3.679 1.00 1.39 H new ATOM 0 HG22 ILE A 51 -2.652 -2.795 5.087 1.00 1.39 H new ATOM 0 HG23 ILE A 51 -3.454 -3.030 3.516 1.00 1.39 H new ATOM 0 HD11 ILE A 51 -5.290 1.146 2.287 1.00 1.66 H new ATOM 0 HD12 ILE A 51 -6.040 0.629 3.815 1.00 1.66 H new ATOM 0 HD13 ILE A 51 -4.475 1.477 3.834 1.00 1.66 H new ATOM 790 N ASP A 52 -4.661 -2.337 7.639 1.00 0.91 N ATOM 791 CA ASP A 52 -4.308 -3.136 8.814 1.00 0.91 C ATOM 792 C ASP A 52 -5.536 -3.888 9.325 1.00 1.05 C ATOM 793 O ASP A 52 -5.976 -3.685 10.454 1.00 1.77 O ATOM 794 CB ASP A 52 -3.704 -2.244 9.916 1.00 0.99 C ATOM 795 CG ASP A 52 -3.056 -3.018 11.069 1.00 1.04 C ATOM 796 OD1 ASP A 52 -3.178 -4.266 11.129 1.00 1.08 O ATOM 797 OD2 ASP A 52 -2.432 -2.353 11.922 1.00 1.95 O ATOM 0 H ASP A 52 -4.744 -1.342 7.847 1.00 0.91 H new ATOM 0 HA ASP A 52 -3.552 -3.868 8.528 1.00 0.91 H new ATOM 0 HB2 ASP A 52 -2.957 -1.589 9.468 1.00 0.99 H new ATOM 0 HB3 ASP A 52 -4.488 -1.603 10.319 1.00 0.99 H new ATOM 802 N ASN A 53 -6.077 -4.790 8.500 1.00 0.86 N ATOM 803 CA ASN A 53 -7.080 -5.756 8.932 1.00 1.07 C ATOM 804 C ASN A 53 -6.591 -6.382 10.233 1.00 1.52 C ATOM 805 O ASN A 53 -5.383 -6.537 10.421 1.00 3.64 O ATOM 806 CB ASN A 53 -7.306 -6.863 7.887 1.00 1.20 C ATOM 807 CG ASN A 53 -8.542 -6.629 7.022 1.00 1.86 C ATOM 808 OD1 ASN A 53 -8.817 -5.516 6.597 1.00 2.88 O ATOM 809 ND2 ASN A 53 -9.294 -7.685 6.719 1.00 2.00 N ATOM 0 H ASN A 53 -5.828 -4.867 7.514 1.00 0.86 H new ATOM 0 HA ASN A 53 -8.031 -5.240 9.066 1.00 1.07 H new ATOM 0 HB2 ASN A 53 -6.428 -6.932 7.244 1.00 1.20 H new ATOM 0 HB3 ASN A 53 -7.403 -7.821 8.397 1.00 1.20 H new ATOM 0 HD21 ASN A 53 -10.114 -7.573 6.123 1.00 2.00 H new ATOM 0 HD22 ASN A 53 -9.050 -8.606 7.082 1.00 2.00 H new ATOM 816 N ASP A 54 -7.524 -6.672 11.144 1.00 0.74 N ATOM 817 CA ASP A 54 -7.255 -7.154 12.495 1.00 0.73 C ATOM 818 C ASP A 54 -6.767 -6.033 13.425 1.00 0.65 C ATOM 819 O ASP A 54 -7.097 -6.029 14.608 1.00 0.99 O ATOM 820 CB ASP A 54 -6.355 -8.407 12.494 1.00 1.13 C ATOM 821 CG ASP A 54 -5.001 -8.181 13.157 1.00 1.78 C ATOM 822 OD1 ASP A 54 -4.163 -7.444 12.578 1.00 1.87 O ATOM 823 OD2 ASP A 54 -4.819 -8.711 14.269 1.00 3.40 O ATOM 0 H ASP A 54 -8.521 -6.573 10.951 1.00 0.74 H new ATOM 0 HA ASP A 54 -8.204 -7.482 12.920 1.00 0.73 H new ATOM 0 HB2 ASP A 54 -6.872 -9.217 13.008 1.00 1.13 H new ATOM 0 HB3 ASP A 54 -6.198 -8.731 11.465 1.00 1.13 H new ATOM 828 N GLN A 55 -6.014 -5.062 12.897 1.00 0.62 N ATOM 829 CA GLN A 55 -5.397 -3.992 13.655 1.00 1.00 C ATOM 830 C GLN A 55 -4.486 -4.540 14.766 1.00 1.04 C ATOM 831 O GLN A 55 -4.436 -3.985 15.861 1.00 1.34 O ATOM 832 CB GLN A 55 -6.431 -2.965 14.137 1.00 1.34 C ATOM 833 CG GLN A 55 -7.286 -2.339 13.018 1.00 2.20 C ATOM 834 CD GLN A 55 -8.451 -3.208 12.538 1.00 3.04 C ATOM 835 OE1 GLN A 55 -8.694 -3.368 11.349 1.00 4.59 O ATOM 836 NE2 GLN A 55 -9.243 -3.740 13.465 1.00 2.95 N ATOM 0 H GLN A 55 -5.817 -5.006 11.898 1.00 0.62 H new ATOM 0 HA GLN A 55 -4.737 -3.438 12.987 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -7.094 -3.447 14.856 1.00 1.34 H new ATOM 0 HB3 GLN A 55 -5.911 -2.167 14.668 1.00 1.34 H new ATOM 0 HG2 GLN A 55 -7.683 -1.388 13.372 1.00 2.20 H new ATOM 0 HG3 GLN A 55 -6.641 -2.119 12.167 1.00 2.20 H new ATOM 0 HE21 GLN A 55 -9.034 -3.603 14.454 1.00 2.95 H new ATOM 0 HE22 GLN A 55 -10.059 -4.285 13.187 1.00 2.95 H new ATOM 845 N SER A 56 -3.722 -5.597 14.452 1.00 1.08 N ATOM 846 CA SER A 56 -2.726 -6.233 15.313 1.00 1.39 C ATOM 847 C SER A 56 -1.787 -5.217 15.956 1.00 1.63 C ATOM 848 O SER A 56 -1.263 -5.461 17.041 1.00 2.13 O ATOM 849 CB SER A 56 -1.891 -7.280 14.534 1.00 1.34 C ATOM 850 OG SER A 56 -1.404 -6.816 13.274 1.00 1.14 O ATOM 0 H SER A 56 -3.790 -6.052 13.541 1.00 1.08 H new ATOM 0 HA SER A 56 -3.284 -6.734 16.104 1.00 1.39 H new ATOM 0 HB2 SER A 56 -1.044 -7.584 15.149 1.00 1.34 H new ATOM 0 HB3 SER A 56 -2.502 -8.168 14.371 1.00 1.34 H new ATOM 856 N GLY A 57 -1.515 -4.122 15.243 1.00 1.48 N ATOM 857 CA GLY A 57 -0.416 -3.221 15.528 1.00 1.87 C ATOM 858 C GLY A 57 0.602 -3.291 14.395 1.00 1.42 C ATOM 859 O GLY A 57 1.426 -2.388 14.269 1.00 1.56 O ATOM 0 H GLY A 57 -2.070 -3.838 14.435 1.00 1.48 H new ATOM 0 HA2 GLY A 57 -0.786 -2.201 15.637 1.00 1.87 H new ATOM 0 HA3 GLY A 57 0.055 -3.492 16.473 1.00 1.87 H new ATOM 863 N TYR A 58 0.549 -4.351 13.573 1.00 1.15 N ATOM 864 CA TYR A 58 1.457 -4.529 12.457 1.00 0.83 C ATOM 865 C TYR A 58 0.728 -4.977 11.192 1.00 0.79 C ATOM 866 O TYR A 58 -0.388 -5.514 11.210 1.00 0.71 O ATOM 867 CB TYR A 58 2.586 -5.497 12.839 1.00 0.89 C ATOM 868 CG TYR A 58 3.514 -4.963 13.915 1.00 0.93 C ATOM 869 CD1 TYR A 58 4.466 -3.976 13.592 1.00 1.90 C ATOM 870 CD2 TYR A 58 3.375 -5.387 15.249 1.00 2.00 C ATOM 871 CE1 TYR A 58 5.271 -3.414 14.599 1.00 1.98 C ATOM 872 CE2 TYR A 58 4.182 -4.825 16.255 1.00 2.14 C ATOM 873 CZ TYR A 58 5.114 -3.824 15.933 1.00 1.30 C ATOM 874 OH TYR A 58 5.887 -3.281 16.915 1.00 1.60 O ATOM 0 H TYR A 58 -0.131 -5.104 13.674 1.00 1.15 H new ATOM 0 HA TYR A 58 1.902 -3.561 12.227 1.00 0.83 H new ATOM 0 HB2 TYR A 58 2.148 -6.434 13.183 1.00 0.89 H new ATOM 0 HB3 TYR A 58 3.172 -5.727 11.949 1.00 0.89 H new ATOM 0 HD1 TYR A 58 4.578 -3.650 12.568 1.00 1.90 H new ATOM 0 HD2 TYR A 58 2.648 -6.145 15.501 1.00 2.00 H new ATOM 0 HE1 TYR A 58 6.010 -2.668 14.347 1.00 1.98 H new ATOM 0 HE2 TYR A 58 4.085 -5.163 17.276 1.00 2.14 H new ATOM 0 HH TYR A 58 5.646 -3.678 17.778 1.00 1.60 H new ATOM 884 N LEU A 59 1.413 -4.737 10.077 1.00 0.93 N ATOM 885 CA LEU A 59 1.136 -5.316 8.781 1.00 0.91 C ATOM 886 C LEU A 59 2.101 -6.475 8.643 1.00 0.97 C ATOM 887 O LEU A 59 3.110 -6.404 7.941 1.00 1.07 O ATOM 888 CB LEU A 59 1.332 -4.284 7.669 1.00 0.97 C ATOM 889 CG LEU A 59 0.149 -3.329 7.498 1.00 0.97 C ATOM 890 CD1 LEU A 59 -1.047 -4.034 6.858 1.00 1.89 C ATOM 891 CD2 LEU A 59 -0.292 -2.701 8.815 1.00 1.88 C ATOM 0 H LEU A 59 2.212 -4.103 10.060 1.00 0.93 H new ATOM 0 HA LEU A 59 0.102 -5.651 8.697 1.00 0.91 H new ATOM 0 HB2 LEU A 59 2.229 -3.702 7.880 1.00 0.97 H new ATOM 0 HB3 LEU A 59 1.505 -4.806 6.728 1.00 0.97 H new ATOM 0 HG LEU A 59 0.501 -2.534 6.840 1.00 0.97 H new ATOM 0 HD11 LEU A 59 -1.871 -3.328 6.750 1.00 1.89 H new ATOM 0 HD12 LEU A 59 -0.763 -4.413 5.876 1.00 1.89 H new ATOM 0 HD13 LEU A 59 -1.361 -4.864 7.490 1.00 1.89 H new ATOM 0 HD21 LEU A 59 -1.134 -2.033 8.635 1.00 1.88 H new ATOM 0 HD22 LEU A 59 -0.593 -3.485 9.509 1.00 1.88 H new ATOM 0 HD23 LEU A 59 0.535 -2.135 9.243 1.00 1.88 H new ATOM 903 N ASP A 60 1.784 -7.527 9.386 1.00 0.98 N ATOM 904 CA ASP A 60 2.448 -8.809 9.317 1.00 1.09 C ATOM 905 C ASP A 60 2.404 -9.315 7.858 1.00 1.08 C ATOM 906 O ASP A 60 1.464 -9.010 7.123 1.00 1.06 O ATOM 907 CB ASP A 60 1.755 -9.734 10.330 1.00 1.12 C ATOM 908 CG ASP A 60 1.505 -9.049 11.685 1.00 1.16 C ATOM 909 OD1 ASP A 60 0.514 -8.277 11.783 1.00 1.40 O ATOM 910 OD2 ASP A 60 2.347 -9.259 12.582 1.00 1.61 O ATOM 0 H ASP A 60 1.032 -7.504 10.074 1.00 0.98 H new ATOM 0 HA ASP A 60 3.504 -8.761 9.584 1.00 1.09 H new ATOM 0 HB2 ASP A 60 0.804 -10.071 9.917 1.00 1.12 H new ATOM 0 HB3 ASP A 60 2.368 -10.622 10.484 1.00 1.12 H new ATOM 915 N GLU A 61 3.438 -10.029 7.403 1.00 1.08 N ATOM 916 CA GLU A 61 3.725 -10.224 5.984 1.00 0.93 C ATOM 917 C GLU A 61 2.514 -10.697 5.161 1.00 0.78 C ATOM 918 O GLU A 61 2.125 -10.066 4.178 1.00 0.72 O ATOM 919 CB GLU A 61 4.922 -11.179 5.832 1.00 1.00 C ATOM 920 CG GLU A 61 5.790 -10.767 4.637 1.00 1.37 C ATOM 921 CD GLU A 61 6.173 -11.941 3.753 1.00 2.35 C ATOM 922 OE1 GLU A 61 6.676 -12.932 4.322 1.00 2.99 O ATOM 923 OE2 GLU A 61 5.957 -11.816 2.529 1.00 3.34 O ATOM 0 H GLU A 61 4.106 -10.492 8.020 1.00 1.08 H new ATOM 0 HA GLU A 61 3.978 -9.248 5.569 1.00 0.93 H new ATOM 0 HB2 GLU A 61 5.520 -11.170 6.743 1.00 1.00 H new ATOM 0 HB3 GLU A 61 4.565 -12.200 5.695 1.00 1.00 H new ATOM 0 HG2 GLU A 61 5.252 -10.030 4.041 1.00 1.37 H new ATOM 0 HG3 GLU A 61 6.696 -10.283 5.002 1.00 1.37 H new ATOM 930 N GLU A 62 1.884 -11.798 5.580 1.00 0.91 N ATOM 931 CA GLU A 62 0.697 -12.330 4.918 1.00 0.93 C ATOM 932 C GLU A 62 -0.420 -11.283 4.813 1.00 0.88 C ATOM 933 O GLU A 62 -1.194 -11.291 3.858 1.00 0.91 O ATOM 934 CB GLU A 62 0.200 -13.572 5.663 1.00 1.20 C ATOM 935 CG GLU A 62 1.180 -14.745 5.523 1.00 2.09 C ATOM 936 CD GLU A 62 0.660 -16.004 6.206 1.00 2.31 C ATOM 937 OE1 GLU A 62 -0.580 -16.155 6.255 1.00 2.48 O ATOM 938 OE2 GLU A 62 1.513 -16.804 6.644 1.00 3.59 O ATOM 0 H GLU A 62 2.185 -12.343 6.388 1.00 0.91 H new ATOM 0 HA GLU A 62 0.976 -12.605 3.901 1.00 0.93 H new ATOM 0 HB2 GLU A 62 0.065 -13.334 6.718 1.00 1.20 H new ATOM 0 HB3 GLU A 62 -0.776 -13.864 5.274 1.00 1.20 H new ATOM 0 HG2 GLU A 62 1.352 -14.950 4.466 1.00 2.09 H new ATOM 0 HG3 GLU A 62 2.142 -14.468 5.955 1.00 2.09 H new ATOM 945 N GLU A 63 -0.503 -10.377 5.784 1.00 0.94 N ATOM 946 CA GLU A 63 -1.465 -9.292 5.776 1.00 0.99 C ATOM 947 C GLU A 63 -1.077 -8.269 4.705 1.00 0.85 C ATOM 948 O GLU A 63 -1.933 -7.807 3.951 1.00 0.85 O ATOM 949 CB GLU A 63 -1.504 -8.671 7.173 1.00 1.39 C ATOM 950 CG GLU A 63 -2.887 -8.125 7.511 1.00 1.45 C ATOM 951 CD GLU A 63 -2.813 -7.497 8.879 1.00 1.29 C ATOM 952 OE1 GLU A 63 -2.722 -8.205 9.901 1.00 1.78 O ATOM 953 OE2 GLU A 63 -2.755 -6.260 9.002 1.00 2.32 O ATOM 0 H GLU A 63 0.104 -10.380 6.604 1.00 0.94 H new ATOM 0 HA GLU A 63 -2.462 -9.657 5.530 1.00 0.99 H new ATOM 0 HB2 GLU A 63 -1.218 -9.420 7.912 1.00 1.39 H new ATOM 0 HB3 GLU A 63 -0.771 -7.867 7.234 1.00 1.39 H new ATOM 0 HG2 GLU A 63 -3.199 -7.390 6.769 1.00 1.45 H new ATOM 0 HG3 GLU A 63 -3.627 -8.925 7.498 1.00 1.45 H new ATOM 960 N LEU A 64 0.222 -7.950 4.622 1.00 0.91 N ATOM 961 CA LEU A 64 0.803 -7.105 3.576 1.00 1.12 C ATOM 962 C LEU A 64 0.391 -7.614 2.186 1.00 1.04 C ATOM 963 O LEU A 64 0.155 -6.817 1.282 1.00 1.45 O ATOM 964 CB LEU A 64 2.338 -7.056 3.715 1.00 1.31 C ATOM 965 CG LEU A 64 3.022 -5.737 3.303 1.00 1.33 C ATOM 966 CD1 LEU A 64 2.595 -5.186 1.939 1.00 1.87 C ATOM 967 CD2 LEU A 64 2.841 -4.651 4.367 1.00 2.61 C ATOM 0 H LEU A 64 0.911 -8.281 5.297 1.00 0.91 H new ATOM 0 HA LEU A 64 0.420 -6.091 3.692 1.00 1.12 H new ATOM 0 HB2 LEU A 64 2.594 -7.263 4.754 1.00 1.31 H new ATOM 0 HB3 LEU A 64 2.761 -7.862 3.116 1.00 1.31 H new ATOM 0 HG LEU A 64 4.075 -6.004 3.213 1.00 1.33 H new ATOM 0 HD11 LEU A 64 3.130 -4.258 1.738 1.00 1.87 H new ATOM 0 HD12 LEU A 64 2.829 -5.915 1.163 1.00 1.87 H new ATOM 0 HD13 LEU A 64 1.522 -4.993 1.944 1.00 1.87 H new ATOM 0 HD21 LEU A 64 3.337 -3.736 4.041 1.00 2.61 H new ATOM 0 HD22 LEU A 64 1.778 -4.456 4.511 1.00 2.61 H new ATOM 0 HD23 LEU A 64 3.279 -4.986 5.307 1.00 2.61 H new ATOM 979 N LYS A 65 0.285 -8.937 2.008 1.00 0.86 N ATOM 980 CA LYS A 65 -0.306 -9.527 0.805 1.00 1.02 C ATOM 981 C LYS A 65 -1.624 -8.828 0.463 1.00 1.39 C ATOM 982 O LYS A 65 -1.710 -8.193 -0.583 1.00 2.67 O ATOM 983 CB LYS A 65 -0.453 -11.046 0.961 1.00 0.99 C ATOM 984 CG LYS A 65 -0.121 -11.762 -0.355 1.00 1.48 C ATOM 985 CD LYS A 65 -0.350 -13.280 -0.287 1.00 1.62 C ATOM 986 CE LYS A 65 0.236 -13.891 0.997 1.00 2.13 C ATOM 987 NZ LYS A 65 0.343 -15.360 0.930 1.00 2.33 N ATOM 0 H LYS A 65 0.605 -9.623 2.691 1.00 0.86 H new ATOM 0 HA LYS A 65 0.363 -9.369 -0.041 1.00 1.02 H new ATOM 0 HB2 LYS A 65 0.209 -11.401 1.751 1.00 0.99 H new ATOM 0 HB3 LYS A 65 -1.471 -11.288 1.266 1.00 0.99 H new ATOM 0 HG2 LYS A 65 -0.733 -11.343 -1.154 1.00 1.48 H new ATOM 0 HG3 LYS A 65 0.920 -11.568 -0.615 1.00 1.48 H new ATOM 0 HD2 LYS A 65 -1.419 -13.488 -0.333 1.00 1.62 H new ATOM 0 HD3 LYS A 65 0.105 -13.755 -1.156 1.00 1.62 H new ATOM 0 HE2 LYS A 65 1.223 -13.467 1.179 1.00 2.13 H new ATOM 0 HE3 LYS A 65 -0.391 -13.615 1.845 1.00 2.13 H new ATOM 0 HZ1 LYS A 65 0.743 -15.720 1.820 1.00 2.33 H new ATOM 0 HZ2 LYS A 65 -0.601 -15.771 0.784 1.00 2.33 H new ATOM 0 HZ3 LYS A 65 0.963 -15.627 0.139 1.00 2.33 H new ATOM 1001 N PHE A 66 -2.618 -8.870 1.357 1.00 0.60 N ATOM 1002 CA PHE A 66 -3.908 -8.202 1.176 1.00 0.78 C ATOM 1003 C PHE A 66 -3.743 -6.681 1.356 1.00 0.96 C ATOM 1004 O PHE A 66 -4.375 -6.081 2.223 1.00 1.58 O ATOM 1005 CB PHE A 66 -4.937 -8.768 2.189 1.00 1.03 C ATOM 1006 CG PHE A 66 -5.886 -9.829 1.672 1.00 1.54 C ATOM 1007 CD1 PHE A 66 -5.450 -11.154 1.515 1.00 2.83 C ATOM 1008 CD2 PHE A 66 -7.226 -9.494 1.389 1.00 3.22 C ATOM 1009 CE1 PHE A 66 -6.339 -12.134 1.034 1.00 4.13 C ATOM 1010 CE2 PHE A 66 -8.116 -10.474 0.917 1.00 4.51 C ATOM 1011 CZ PHE A 66 -7.670 -11.794 0.736 1.00 4.62 C ATOM 0 H PHE A 66 -2.546 -9.377 2.239 1.00 0.60 H new ATOM 0 HA PHE A 66 -4.275 -8.390 0.167 1.00 0.78 H new ATOM 0 HB2 PHE A 66 -4.389 -9.184 3.034 1.00 1.03 H new ATOM 0 HB3 PHE A 66 -5.530 -7.938 2.571 1.00 1.03 H new ATOM 0 HD1 PHE A 66 -4.433 -11.421 1.763 1.00 2.83 H new ATOM 0 HD2 PHE A 66 -7.570 -8.481 1.535 1.00 3.22 H new ATOM 0 HE1 PHE A 66 -5.998 -13.149 0.894 1.00 4.13 H new ATOM 0 HE2 PHE A 66 -9.140 -10.213 0.694 1.00 4.51 H new ATOM 0 HZ PHE A 66 -8.350 -12.548 0.368 1.00 4.62 H new ATOM 1021 N PHE A 67 -2.924 -6.023 0.539 1.00 0.78 N ATOM 1022 CA PHE A 67 -2.770 -4.574 0.566 1.00 0.96 C ATOM 1023 C PHE A 67 -3.809 -3.966 -0.376 1.00 0.94 C ATOM 1024 O PHE A 67 -4.779 -3.354 0.068 1.00 1.08 O ATOM 1025 CB PHE A 67 -1.311 -4.219 0.242 1.00 1.04 C ATOM 1026 CG PHE A 67 -0.941 -2.760 0.026 1.00 1.29 C ATOM 1027 CD1 PHE A 67 -1.722 -1.708 0.549 1.00 1.39 C ATOM 1028 CD2 PHE A 67 0.302 -2.467 -0.566 1.00 2.68 C ATOM 1029 CE1 PHE A 67 -1.287 -0.376 0.428 1.00 1.46 C ATOM 1030 CE2 PHE A 67 0.750 -1.139 -0.657 1.00 2.93 C ATOM 1031 CZ PHE A 67 -0.057 -0.089 -0.189 1.00 1.80 C ATOM 0 H PHE A 67 -2.346 -6.484 -0.164 1.00 0.78 H new ATOM 0 HA PHE A 67 -2.961 -4.148 1.551 1.00 0.96 H new ATOM 0 HB2 PHE A 67 -0.691 -4.600 1.054 1.00 1.04 H new ATOM 0 HB3 PHE A 67 -1.030 -4.767 -0.657 1.00 1.04 H new ATOM 0 HD1 PHE A 67 -2.657 -1.926 1.044 1.00 1.39 H new ATOM 0 HD2 PHE A 67 0.915 -3.268 -0.952 1.00 2.68 H new ATOM 0 HE1 PHE A 67 -1.899 0.428 0.810 1.00 1.46 H new ATOM 0 HE2 PHE A 67 1.717 -0.925 -1.088 1.00 2.93 H new ATOM 0 HZ PHE A 67 0.266 0.935 -0.303 1.00 1.80 H new ATOM 1041 N LEU A 68 -3.633 -4.171 -1.682 1.00 0.84 N ATOM 1042 CA LEU A 68 -4.463 -3.536 -2.698 1.00 0.88 C ATOM 1043 C LEU A 68 -5.903 -4.072 -2.660 1.00 0.69 C ATOM 1044 O LEU A 68 -6.846 -3.382 -3.052 1.00 0.73 O ATOM 1045 CB LEU A 68 -3.848 -3.736 -4.089 1.00 1.01 C ATOM 1046 CG LEU A 68 -2.484 -3.060 -4.327 1.00 1.93 C ATOM 1047 CD1 LEU A 68 -1.298 -3.875 -3.794 1.00 3.36 C ATOM 1048 CD2 LEU A 68 -2.273 -2.867 -5.835 1.00 2.80 C ATOM 0 H LEU A 68 -2.910 -4.782 -2.062 1.00 0.84 H new ATOM 0 HA LEU A 68 -4.502 -2.468 -2.482 1.00 0.88 H new ATOM 0 HB2 LEU A 68 -3.737 -4.806 -4.265 1.00 1.01 H new ATOM 0 HB3 LEU A 68 -4.551 -3.362 -4.833 1.00 1.01 H new ATOM 0 HG LEU A 68 -2.512 -2.113 -3.788 1.00 1.93 H new ATOM 0 HD11 LEU A 68 -0.370 -3.341 -3.995 1.00 3.36 H new ATOM 0 HD12 LEU A 68 -1.409 -4.018 -2.719 1.00 3.36 H new ATOM 0 HD13 LEU A 68 -1.272 -4.846 -4.289 1.00 3.36 H new ATOM 0 HD21 LEU A 68 -1.309 -2.389 -6.009 1.00 2.80 H new ATOM 0 HD22 LEU A 68 -2.292 -3.837 -6.332 1.00 2.80 H new ATOM 0 HD23 LEU A 68 -3.068 -2.238 -6.236 1.00 2.80 H new ATOM 1060 N GLN A 69 -6.079 -5.307 -2.178 1.00 0.65 N ATOM 1061 CA GLN A 69 -7.367 -5.995 -2.145 1.00 0.65 C ATOM 1062 C GLN A 69 -8.320 -5.438 -1.082 1.00 0.73 C ATOM 1063 O GLN A 69 -9.434 -5.934 -0.940 1.00 1.10 O ATOM 1064 CB GLN A 69 -7.129 -7.498 -1.941 1.00 0.76 C ATOM 1065 CG GLN A 69 -8.130 -8.366 -2.716 1.00 1.67 C ATOM 1066 CD GLN A 69 -7.843 -8.371 -4.218 1.00 1.88 C ATOM 1067 OE1 GLN A 69 -8.096 -7.394 -4.914 1.00 3.55 O ATOM 1068 NE2 GLN A 69 -7.283 -9.449 -4.749 1.00 1.53 N ATOM 0 H GLN A 69 -5.315 -5.863 -1.794 1.00 0.65 H new ATOM 0 HA GLN A 69 -7.861 -5.823 -3.101 1.00 0.65 H new ATOM 0 HB2 GLN A 69 -6.116 -7.748 -2.258 1.00 0.76 H new ATOM 0 HB3 GLN A 69 -7.198 -7.732 -0.879 1.00 0.76 H new ATOM 0 HG2 GLN A 69 -8.094 -9.387 -2.337 1.00 1.67 H new ATOM 0 HG3 GLN A 69 -9.141 -7.997 -2.541 1.00 1.67 H new ATOM 0 HE21 GLN A 69 -7.076 -10.257 -4.163 1.00 1.53 H new ATOM 0 HE22 GLN A 69 -7.059 -9.470 -5.744 1.00 1.53 H new ATOM 1077 N LYS A 70 -7.912 -4.414 -0.326 1.00 0.88 N ATOM 1078 CA LYS A 70 -8.883 -3.611 0.401 1.00 0.97 C ATOM 1079 C LYS A 70 -9.690 -2.759 -0.580 1.00 0.66 C ATOM 1080 O LYS A 70 -10.848 -2.447 -0.313 1.00 0.85 O ATOM 1081 CB LYS A 70 -8.187 -2.720 1.439 1.00 1.48 C ATOM 1082 CG LYS A 70 -8.018 -3.431 2.785 1.00 1.44 C ATOM 1083 CD LYS A 70 -6.893 -4.471 2.808 1.00 1.74 C ATOM 1084 CE LYS A 70 -6.966 -5.252 4.130 1.00 2.39 C ATOM 1085 NZ LYS A 70 -5.678 -5.865 4.508 1.00 4.21 N ATOM 0 H LYS A 70 -6.939 -4.131 -0.206 1.00 0.88 H new ATOM 0 HA LYS A 70 -9.561 -4.280 0.932 1.00 0.97 H new ATOM 0 HB2 LYS A 70 -7.209 -2.420 1.062 1.00 1.48 H new ATOM 0 HB3 LYS A 70 -8.767 -1.808 1.581 1.00 1.48 H new ATOM 0 HG2 LYS A 70 -7.824 -2.685 3.556 1.00 1.44 H new ATOM 0 HG3 LYS A 70 -8.956 -3.921 3.045 1.00 1.44 H new ATOM 0 HD2 LYS A 70 -6.991 -5.151 1.962 1.00 1.74 H new ATOM 0 HD3 LYS A 70 -5.924 -3.981 2.712 1.00 1.74 H new ATOM 0 HE2 LYS A 70 -7.290 -4.581 4.925 1.00 2.39 H new ATOM 0 HE3 LYS A 70 -7.722 -6.032 4.044 1.00 2.39 H new ATOM 0 HZ1 LYS A 70 -5.852 -6.769 4.992 1.00 4.21 H new ATOM 0 HZ2 LYS A 70 -5.110 -6.034 3.653 1.00 4.21 H new ATOM 0 HZ3 LYS A 70 -5.163 -5.225 5.145 1.00 4.21 H new ATOM 1099 N PHE A 71 -9.065 -2.341 -1.684 1.00 0.63 N ATOM 1100 CA PHE A 71 -9.645 -1.394 -2.619 1.00 0.72 C ATOM 1101 C PHE A 71 -10.377 -2.154 -3.717 1.00 0.78 C ATOM 1102 O PHE A 71 -11.571 -1.949 -3.929 1.00 1.08 O ATOM 1103 CB PHE A 71 -8.548 -0.499 -3.216 1.00 0.96 C ATOM 1104 CG PHE A 71 -7.426 -0.083 -2.280 1.00 1.23 C ATOM 1105 CD1 PHE A 71 -7.693 0.232 -0.935 1.00 2.06 C ATOM 1106 CD2 PHE A 71 -6.105 -0.010 -2.763 1.00 2.60 C ATOM 1107 CE1 PHE A 71 -6.649 0.623 -0.081 1.00 2.74 C ATOM 1108 CE2 PHE A 71 -5.063 0.398 -1.912 1.00 3.27 C ATOM 1109 CZ PHE A 71 -5.335 0.713 -0.571 1.00 2.95 C ATOM 0 H PHE A 71 -8.133 -2.658 -1.950 1.00 0.63 H new ATOM 0 HA PHE A 71 -10.356 -0.755 -2.096 1.00 0.72 H new ATOM 0 HB2 PHE A 71 -8.107 -1.021 -4.065 1.00 0.96 H new ATOM 0 HB3 PHE A 71 -9.019 0.403 -3.606 1.00 0.96 H new ATOM 0 HD1 PHE A 71 -8.703 0.173 -0.558 1.00 2.06 H new ATOM 0 HD2 PHE A 71 -5.892 -0.268 -3.790 1.00 2.60 H new ATOM 0 HE1 PHE A 71 -6.856 0.855 0.953 1.00 2.74 H new ATOM 0 HE2 PHE A 71 -4.054 0.469 -2.290 1.00 3.27 H new ATOM 0 HZ PHE A 71 -4.535 1.024 0.084 1.00 2.95 H new ATOM 1119 N GLU A 72 -9.637 -3.016 -4.418 1.00 0.68 N ATOM 1120 CA GLU A 72 -10.151 -3.799 -5.529 1.00 0.88 C ATOM 1121 C GLU A 72 -10.501 -5.200 -5.033 1.00 1.13 C ATOM 1122 O GLU A 72 -10.224 -5.546 -3.887 1.00 2.20 O ATOM 1123 CB GLU A 72 -9.087 -3.873 -6.636 1.00 1.01 C ATOM 1124 CG GLU A 72 -9.667 -3.677 -8.042 1.00 1.09 C ATOM 1125 CD GLU A 72 -10.177 -2.255 -8.250 1.00 1.88 C ATOM 1126 OE1 GLU A 72 -9.383 -1.326 -7.985 1.00 2.94 O ATOM 1127 OE2 GLU A 72 -11.348 -2.135 -8.665 1.00 3.04 O ATOM 0 H GLU A 72 -8.651 -3.187 -4.222 1.00 0.68 H new ATOM 0 HA GLU A 72 -11.048 -3.330 -5.934 1.00 0.88 H new ATOM 0 HB2 GLU A 72 -8.328 -3.112 -6.453 1.00 1.01 H new ATOM 0 HB3 GLU A 72 -8.587 -4.840 -6.587 1.00 1.01 H new ATOM 0 HG2 GLU A 72 -8.902 -3.901 -8.785 1.00 1.09 H new ATOM 0 HG3 GLU A 72 -10.482 -4.383 -8.201 1.00 1.09 H new ATOM 1134 N SER A 73 -11.066 -6.018 -5.921 1.00 1.17 N ATOM 1135 CA SER A 73 -11.313 -7.432 -5.683 1.00 1.18 C ATOM 1136 C SER A 73 -10.394 -8.331 -6.517 1.00 1.25 C ATOM 1137 O SER A 73 -10.393 -9.542 -6.308 1.00 2.14 O ATOM 1138 CB SER A 73 -12.783 -7.711 -6.009 1.00 1.43 C ATOM 1139 OG SER A 73 -13.108 -7.164 -7.276 1.00 2.51 O ATOM 0 H SER A 73 -11.369 -5.706 -6.843 1.00 1.17 H new ATOM 0 HA SER A 73 -11.097 -7.662 -4.640 1.00 1.18 H new ATOM 0 HB2 SER A 73 -12.967 -8.785 -6.009 1.00 1.43 H new ATOM 0 HB3 SER A 73 -13.424 -7.278 -5.241 1.00 1.43 H new ATOM 0 HG SER A 73 -14.049 -7.347 -7.480 1.00 2.51 H new ATOM 1145 N GLY A 74 -9.646 -7.768 -7.475 1.00 1.18 N ATOM 1146 CA GLY A 74 -8.732 -8.517 -8.331 1.00 1.19 C ATOM 1147 C GLY A 74 -7.416 -7.766 -8.519 1.00 0.99 C ATOM 1148 O GLY A 74 -6.873 -7.723 -9.621 1.00 1.11 O ATOM 0 H GLY A 74 -9.663 -6.768 -7.675 1.00 1.18 H new ATOM 0 HA2 GLY A 74 -8.537 -9.495 -7.892 1.00 1.19 H new ATOM 0 HA3 GLY A 74 -9.197 -8.690 -9.301 1.00 1.19 H new ATOM 1152 N ALA A 75 -6.907 -7.170 -7.441 1.00 0.85 N ATOM 1153 CA ALA A 75 -5.629 -6.478 -7.434 1.00 0.77 C ATOM 1154 C ALA A 75 -4.467 -7.452 -7.224 1.00 0.91 C ATOM 1155 O ALA A 75 -4.644 -8.664 -7.127 1.00 1.59 O ATOM 1156 CB ALA A 75 -5.633 -5.392 -6.359 1.00 0.77 C ATOM 0 H ALA A 75 -7.381 -7.157 -6.538 1.00 0.85 H new ATOM 0 HA ALA A 75 -5.486 -6.010 -8.408 1.00 0.77 H new ATOM 0 HB1 ALA A 75 -4.672 -4.877 -6.359 1.00 0.77 H new ATOM 0 HB2 ALA A 75 -6.428 -4.676 -6.568 1.00 0.77 H new ATOM 0 HB3 ALA A 75 -5.801 -5.847 -5.383 1.00 0.77 H new ATOM 1162 N ARG A 76 -3.257 -6.893 -7.152 1.00 0.62 N ATOM 1163 CA ARG A 76 -1.997 -7.601 -7.316 1.00 0.61 C ATOM 1164 C ARG A 76 -1.445 -8.174 -6.005 1.00 0.55 C ATOM 1165 O ARG A 76 -0.240 -8.388 -5.890 1.00 0.85 O ATOM 1166 CB ARG A 76 -1.016 -6.587 -7.920 1.00 0.78 C ATOM 1167 CG ARG A 76 0.142 -7.230 -8.676 1.00 0.78 C ATOM 1168 CD ARG A 76 -0.322 -7.879 -9.986 1.00 1.04 C ATOM 1169 NE ARG A 76 0.804 -7.867 -10.912 1.00 1.55 N ATOM 1170 CZ ARG A 76 0.730 -7.469 -12.180 1.00 2.19 C ATOM 1171 NH1 ARG A 76 -0.329 -7.717 -12.954 1.00 3.08 N ATOM 1172 NH2 ARG A 76 1.741 -6.781 -12.670 1.00 2.66 N ATOM 0 H ARG A 76 -3.129 -5.897 -6.971 1.00 0.62 H new ATOM 0 HA ARG A 76 -2.146 -8.468 -7.959 1.00 0.61 H new ATOM 0 HB2 ARG A 76 -1.559 -5.928 -8.597 1.00 0.78 H new ATOM 0 HB3 ARG A 76 -0.615 -5.963 -7.122 1.00 0.78 H new ATOM 0 HG2 ARG A 76 0.898 -6.475 -8.892 1.00 0.78 H new ATOM 0 HG3 ARG A 76 0.614 -7.983 -8.045 1.00 0.78 H new ATOM 0 HD2 ARG A 76 -0.659 -8.900 -9.808 1.00 1.04 H new ATOM 0 HD3 ARG A 76 -1.167 -7.332 -10.405 1.00 1.04 H new ATOM 0 HE ARG A 76 1.709 -8.185 -10.565 1.00 1.55 H new ATOM 0 HH11 ARG A 76 -1.126 -8.231 -12.579 1.00 3.08 H new ATOM 0 HH12 ARG A 76 -0.341 -7.392 -13.921 1.00 3.08 H new ATOM 0 HH21 ARG A 76 2.547 -6.569 -12.081 1.00 2.66 H new ATOM 0 HH22 ARG A 76 1.718 -6.460 -13.638 1.00 2.66 H new ATOM 1186 N GLU A 77 -2.299 -8.426 -5.013 1.00 0.82 N ATOM 1187 CA GLU A 77 -1.865 -8.890 -3.702 1.00 0.85 C ATOM 1188 C GLU A 77 -0.982 -10.139 -3.816 1.00 0.46 C ATOM 1189 O GLU A 77 0.141 -10.202 -3.321 1.00 0.53 O ATOM 1190 CB GLU A 77 -3.098 -9.158 -2.827 1.00 1.26 C ATOM 1191 CG GLU A 77 -4.400 -9.568 -3.533 1.00 2.90 C ATOM 1192 CD GLU A 77 -5.299 -10.344 -2.580 1.00 5.11 C ATOM 1193 OE1 GLU A 77 -5.186 -10.088 -1.368 1.00 5.75 O ATOM 1194 OE2 GLU A 77 -6.100 -11.157 -3.091 1.00 6.74 O ATOM 0 H GLU A 77 -3.309 -8.313 -5.099 1.00 0.82 H new ATOM 0 HA GLU A 77 -1.258 -8.115 -3.234 1.00 0.85 H new ATOM 0 HB2 GLU A 77 -2.840 -9.943 -2.116 1.00 1.26 H new ATOM 0 HB3 GLU A 77 -3.300 -8.257 -2.248 1.00 1.26 H new ATOM 0 HG2 GLU A 77 -4.921 -8.681 -3.893 1.00 2.90 H new ATOM 0 HG3 GLU A 77 -4.171 -10.179 -4.406 1.00 2.90 H new ATOM 1201 N LEU A 78 -1.544 -11.146 -4.474 1.00 0.50 N ATOM 1202 CA LEU A 78 -0.975 -12.462 -4.704 1.00 0.46 C ATOM 1203 C LEU A 78 0.449 -12.400 -5.260 1.00 0.37 C ATOM 1204 O LEU A 78 1.244 -13.278 -4.931 1.00 0.52 O ATOM 1205 CB LEU A 78 -1.852 -13.314 -5.641 1.00 0.72 C ATOM 1206 CG LEU A 78 -3.346 -13.457 -5.289 1.00 1.20 C ATOM 1207 CD1 LEU A 78 -3.644 -13.426 -3.783 1.00 1.31 C ATOM 1208 CD2 LEU A 78 -4.200 -12.454 -6.079 1.00 1.46 C ATOM 0 H LEU A 78 -2.472 -11.055 -4.888 1.00 0.50 H new ATOM 0 HA LEU A 78 -0.938 -12.937 -3.723 1.00 0.46 H new ATOM 0 HB2 LEU A 78 -1.782 -12.890 -6.643 1.00 0.72 H new ATOM 0 HB3 LEU A 78 -1.421 -14.314 -5.687 1.00 0.72 H new ATOM 0 HG LEU A 78 -3.633 -14.461 -5.601 1.00 1.20 H new ATOM 0 HD11 LEU A 78 -4.717 -13.532 -3.622 1.00 1.31 H new ATOM 0 HD12 LEU A 78 -3.120 -14.246 -3.292 1.00 1.31 H new ATOM 0 HD13 LEU A 78 -3.307 -12.478 -3.365 1.00 1.31 H new ATOM 0 HD21 LEU A 78 -5.249 -12.578 -5.810 1.00 1.46 H new ATOM 0 HD22 LEU A 78 -3.882 -11.439 -5.841 1.00 1.46 H new ATOM 0 HD23 LEU A 78 -4.076 -12.632 -7.147 1.00 1.46 H new ATOM 1220 N THR A 79 0.787 -11.421 -6.114 1.00 0.40 N ATOM 1221 CA THR A 79 2.163 -11.345 -6.574 1.00 0.50 C ATOM 1222 C THR A 79 3.046 -10.895 -5.429 1.00 0.48 C ATOM 1223 O THR A 79 3.167 -9.710 -5.106 1.00 0.47 O ATOM 1224 CB THR A 79 2.417 -10.424 -7.750 1.00 0.63 C ATOM 1225 OG1 THR A 79 1.525 -10.646 -8.797 1.00 0.88 O ATOM 1226 CG2 THR A 79 3.820 -10.732 -8.310 1.00 0.80 C ATOM 0 H THR A 79 0.155 -10.708 -6.479 1.00 0.40 H new ATOM 0 HA THR A 79 2.395 -12.351 -6.924 1.00 0.50 H new ATOM 0 HB THR A 79 2.309 -9.400 -7.392 1.00 0.63 H new ATOM 0 HG1 THR A 79 1.724 -10.030 -9.533 1.00 0.88 H new ATOM 0 HG21 THR A 79 4.024 -10.079 -9.159 1.00 0.80 H new ATOM 0 HG22 THR A 79 4.567 -10.563 -7.534 1.00 0.80 H new ATOM 0 HG23 THR A 79 3.862 -11.772 -8.633 1.00 0.80 H new ATOM 1234 N GLU A 80 3.723 -11.881 -4.879 1.00 0.52 N ATOM 1235 CA GLU A 80 4.587 -11.689 -3.739 1.00 0.53 C ATOM 1236 C GLU A 80 5.714 -10.734 -4.114 1.00 0.45 C ATOM 1237 O GLU A 80 5.986 -9.835 -3.338 1.00 0.51 O ATOM 1238 CB GLU A 80 4.997 -13.041 -3.170 1.00 0.71 C ATOM 1239 CG GLU A 80 5.937 -12.963 -1.963 1.00 2.45 C ATOM 1240 CD GLU A 80 6.240 -14.365 -1.451 1.00 2.82 C ATOM 1241 OE1 GLU A 80 5.259 -15.071 -1.128 1.00 3.44 O ATOM 1242 OE2 GLU A 80 7.438 -14.721 -1.445 1.00 3.27 O ATOM 0 H GLU A 80 3.687 -12.844 -5.214 1.00 0.52 H new ATOM 0 HA GLU A 80 4.075 -11.197 -2.912 1.00 0.53 H new ATOM 0 HB2 GLU A 80 4.099 -13.587 -2.881 1.00 0.71 H new ATOM 0 HB3 GLU A 80 5.482 -13.620 -3.956 1.00 0.71 H new ATOM 0 HG2 GLU A 80 6.863 -12.461 -2.244 1.00 2.45 H new ATOM 0 HG3 GLU A 80 5.479 -12.369 -1.172 1.00 2.45 H new ATOM 1249 N SER A 81 6.301 -10.817 -5.315 1.00 0.43 N ATOM 1250 CA SER A 81 7.255 -9.806 -5.768 1.00 0.48 C ATOM 1251 C SER A 81 6.725 -8.378 -5.597 1.00 0.46 C ATOM 1252 O SER A 81 7.411 -7.524 -5.042 1.00 0.48 O ATOM 1253 CB SER A 81 7.594 -10.010 -7.242 1.00 0.55 C ATOM 1254 OG SER A 81 8.025 -11.321 -7.523 1.00 1.27 O ATOM 0 H SER A 81 6.132 -11.569 -5.983 1.00 0.43 H new ATOM 0 HA SER A 81 8.142 -9.928 -5.146 1.00 0.48 H new ATOM 0 HB2 SER A 81 6.717 -9.783 -7.847 1.00 0.55 H new ATOM 0 HB3 SER A 81 8.373 -9.305 -7.533 1.00 0.55 H new ATOM 0 HG SER A 81 8.328 -11.373 -8.453 1.00 1.27 H new ATOM 1260 N GLU A 82 5.521 -8.102 -6.102 1.00 0.50 N ATOM 1261 CA GLU A 82 4.978 -6.752 -6.152 1.00 0.48 C ATOM 1262 C GLU A 82 4.651 -6.296 -4.728 1.00 0.48 C ATOM 1263 O GLU A 82 5.047 -5.205 -4.309 1.00 0.52 O ATOM 1264 CB GLU A 82 3.757 -6.720 -7.084 1.00 0.51 C ATOM 1265 CG GLU A 82 4.089 -7.299 -8.476 1.00 0.95 C ATOM 1266 CD GLU A 82 3.943 -6.331 -9.636 1.00 1.48 C ATOM 1267 OE1 GLU A 82 4.724 -5.367 -9.721 1.00 2.65 O ATOM 1268 OE2 GLU A 82 3.057 -6.606 -10.468 1.00 2.05 O ATOM 0 H GLU A 82 4.898 -8.812 -6.487 1.00 0.50 H new ATOM 0 HA GLU A 82 5.707 -6.054 -6.563 1.00 0.48 H new ATOM 0 HB2 GLU A 82 2.942 -7.290 -6.637 1.00 0.51 H new ATOM 0 HB3 GLU A 82 3.407 -5.693 -7.190 1.00 0.51 H new ATOM 0 HG2 GLU A 82 5.114 -7.670 -8.461 1.00 0.95 H new ATOM 0 HG3 GLU A 82 3.442 -8.157 -8.657 1.00 0.95 H new ATOM 1275 N THR A 83 3.982 -7.166 -3.964 1.00 0.49 N ATOM 1276 CA THR A 83 3.692 -6.926 -2.556 1.00 0.55 C ATOM 1277 C THR A 83 4.993 -6.611 -1.817 1.00 0.56 C ATOM 1278 O THR A 83 5.099 -5.643 -1.065 1.00 0.58 O ATOM 1279 CB THR A 83 2.940 -8.138 -1.954 1.00 0.63 C ATOM 1280 OG1 THR A 83 1.624 -7.736 -1.677 1.00 0.78 O ATOM 1281 CG2 THR A 83 3.519 -8.728 -0.658 1.00 0.60 C ATOM 0 H THR A 83 3.628 -8.057 -4.311 1.00 0.49 H new ATOM 0 HA THR A 83 3.035 -6.063 -2.447 1.00 0.55 H new ATOM 0 HB THR A 83 3.026 -8.926 -2.703 1.00 0.63 H new ATOM 0 HG1 THR A 83 0.996 -8.362 -2.095 1.00 0.78 H new ATOM 0 HG21 THR A 83 2.906 -9.570 -0.336 1.00 0.60 H new ATOM 0 HG22 THR A 83 4.539 -9.069 -0.837 1.00 0.60 H new ATOM 0 HG23 THR A 83 3.523 -7.964 0.119 1.00 0.60 H new ATOM 1289 N LYS A 84 5.992 -7.458 -2.046 1.00 0.55 N ATOM 1290 CA LYS A 84 7.240 -7.476 -1.323 1.00 0.59 C ATOM 1291 C LYS A 84 8.112 -6.307 -1.750 1.00 0.50 C ATOM 1292 O LYS A 84 8.900 -5.835 -0.947 1.00 0.54 O ATOM 1293 CB LYS A 84 7.924 -8.843 -1.493 1.00 0.79 C ATOM 1294 CG LYS A 84 9.110 -9.031 -0.549 1.00 1.45 C ATOM 1295 CD LYS A 84 10.438 -8.577 -1.173 1.00 2.56 C ATOM 1296 CE LYS A 84 11.379 -8.065 -0.075 1.00 3.96 C ATOM 1297 NZ LYS A 84 12.642 -7.545 -0.634 1.00 5.49 N ATOM 0 H LYS A 84 5.943 -8.175 -2.770 1.00 0.55 H new ATOM 0 HA LYS A 84 7.057 -7.348 -0.256 1.00 0.59 H new ATOM 0 HB2 LYS A 84 7.195 -9.634 -1.316 1.00 0.79 H new ATOM 0 HB3 LYS A 84 8.265 -8.949 -2.523 1.00 0.79 H new ATOM 0 HG2 LYS A 84 8.933 -8.469 0.368 1.00 1.45 H new ATOM 0 HG3 LYS A 84 9.184 -10.082 -0.270 1.00 1.45 H new ATOM 0 HD2 LYS A 84 10.903 -9.407 -1.705 1.00 2.56 H new ATOM 0 HD3 LYS A 84 10.256 -7.790 -1.905 1.00 2.56 H new ATOM 0 HE2 LYS A 84 10.882 -7.278 0.492 1.00 3.96 H new ATOM 0 HE3 LYS A 84 11.596 -8.873 0.624 1.00 3.96 H new ATOM 0 HZ1 LYS A 84 13.177 -7.057 0.112 1.00 5.49 H new ATOM 0 HZ2 LYS A 84 13.208 -8.334 -1.006 1.00 5.49 H new ATOM 0 HZ3 LYS A 84 12.432 -6.877 -1.403 1.00 5.49 H new ATOM 1311 N SER A 85 8.001 -5.831 -2.990 1.00 0.46 N ATOM 1312 CA SER A 85 8.634 -4.598 -3.433 1.00 0.48 C ATOM 1313 C SER A 85 8.152 -3.454 -2.542 1.00 0.43 C ATOM 1314 O SER A 85 8.955 -2.723 -1.960 1.00 0.59 O ATOM 1315 CB SER A 85 8.309 -4.332 -4.909 1.00 0.52 C ATOM 1316 OG SER A 85 9.068 -3.232 -5.366 1.00 1.68 O ATOM 0 H SER A 85 7.463 -6.298 -3.719 1.00 0.46 H new ATOM 0 HA SER A 85 9.718 -4.682 -3.349 1.00 0.48 H new ATOM 0 HB2 SER A 85 8.533 -5.216 -5.507 1.00 0.52 H new ATOM 0 HB3 SER A 85 7.245 -4.128 -5.027 1.00 0.52 H new ATOM 0 HG SER A 85 8.556 -2.739 -6.041 1.00 1.68 H new ATOM 1322 N LEU A 86 6.831 -3.329 -2.384 1.00 0.37 N ATOM 1323 CA LEU A 86 6.280 -2.322 -1.491 1.00 0.44 C ATOM 1324 C LEU A 86 6.772 -2.559 -0.064 1.00 0.36 C ATOM 1325 O LEU A 86 7.326 -1.641 0.543 1.00 0.38 O ATOM 1326 CB LEU A 86 4.748 -2.269 -1.599 1.00 0.65 C ATOM 1327 CG LEU A 86 4.270 -1.271 -2.666 1.00 1.75 C ATOM 1328 CD1 LEU A 86 4.420 0.169 -2.152 1.00 2.86 C ATOM 1329 CD2 LEU A 86 4.965 -1.449 -4.020 1.00 3.76 C ATOM 0 H LEU A 86 6.137 -3.907 -2.858 1.00 0.37 H new ATOM 0 HA LEU A 86 6.638 -1.338 -1.793 1.00 0.44 H new ATOM 0 HB2 LEU A 86 4.369 -3.262 -1.839 1.00 0.65 H new ATOM 0 HB3 LEU A 86 4.328 -1.992 -0.632 1.00 0.65 H new ATOM 0 HG LEU A 86 3.215 -1.481 -2.843 1.00 1.75 H new ATOM 0 HD11 LEU A 86 4.078 0.866 -2.917 1.00 2.86 H new ATOM 0 HD12 LEU A 86 3.821 0.298 -1.250 1.00 2.86 H new ATOM 0 HD13 LEU A 86 5.467 0.366 -1.923 1.00 2.86 H new ATOM 0 HD21 LEU A 86 4.580 -0.713 -4.726 1.00 3.76 H new ATOM 0 HD22 LEU A 86 6.039 -1.309 -3.899 1.00 3.76 H new ATOM 0 HD23 LEU A 86 4.770 -2.452 -4.400 1.00 3.76 H new ATOM 1341 N MET A 87 6.622 -3.786 0.453 1.00 0.37 N ATOM 1342 CA MET A 87 7.145 -4.126 1.771 1.00 0.40 C ATOM 1343 C MET A 87 8.616 -3.716 1.920 1.00 0.38 C ATOM 1344 O MET A 87 9.004 -3.176 2.946 1.00 0.46 O ATOM 1345 CB MET A 87 6.981 -5.624 2.068 1.00 0.54 C ATOM 1346 CG MET A 87 7.085 -5.878 3.582 1.00 0.83 C ATOM 1347 SD MET A 87 7.098 -7.604 4.119 1.00 1.71 S ATOM 1348 CE MET A 87 8.761 -8.100 3.625 1.00 2.43 C ATOM 0 H MET A 87 6.145 -4.552 -0.023 1.00 0.37 H new ATOM 0 HA MET A 87 6.560 -3.563 2.498 1.00 0.40 H new ATOM 0 HB2 MET A 87 6.017 -5.972 1.698 1.00 0.54 H new ATOM 0 HB3 MET A 87 7.748 -6.193 1.543 1.00 0.54 H new ATOM 0 HG2 MET A 87 7.996 -5.402 3.945 1.00 0.83 H new ATOM 0 HG3 MET A 87 6.248 -5.377 4.069 1.00 0.83 H new ATOM 0 HE1 MET A 87 8.712 -9.038 3.071 1.00 2.43 H new ATOM 0 HE2 MET A 87 9.198 -7.328 2.992 1.00 2.43 H new ATOM 0 HE3 MET A 87 9.379 -8.235 4.513 1.00 2.43 H new ATOM 1358 N ALA A 88 9.439 -3.988 0.907 1.00 0.39 N ATOM 1359 CA ALA A 88 10.887 -3.833 0.939 1.00 0.43 C ATOM 1360 C ALA A 88 11.281 -2.416 1.331 1.00 0.41 C ATOM 1361 O ALA A 88 12.197 -2.226 2.123 1.00 0.53 O ATOM 1362 CB ALA A 88 11.493 -4.174 -0.429 1.00 0.45 C ATOM 0 H ALA A 88 9.099 -4.335 0.010 1.00 0.39 H new ATOM 0 HA ALA A 88 11.276 -4.522 1.689 1.00 0.43 H new ATOM 0 HB1 ALA A 88 12.575 -4.053 -0.388 1.00 0.45 H new ATOM 0 HB2 ALA A 88 11.253 -5.206 -0.686 1.00 0.45 H new ATOM 0 HB3 ALA A 88 11.082 -3.506 -1.186 1.00 0.45 H new ATOM 1368 N ALA A 89 10.618 -1.428 0.726 1.00 0.34 N ATOM 1369 CA ALA A 89 10.913 -0.028 0.976 1.00 0.39 C ATOM 1370 C ALA A 89 10.097 0.493 2.156 1.00 0.34 C ATOM 1371 O ALA A 89 10.629 1.219 2.989 1.00 0.43 O ATOM 1372 CB ALA A 89 10.639 0.775 -0.287 1.00 0.54 C ATOM 0 H ALA A 89 9.867 -1.581 0.054 1.00 0.34 H new ATOM 0 HA ALA A 89 11.965 0.081 1.239 1.00 0.39 H new ATOM 0 HB1 ALA A 89 10.859 1.827 -0.104 1.00 0.54 H new ATOM 0 HB2 ALA A 89 11.270 0.407 -1.096 1.00 0.54 H new ATOM 0 HB3 ALA A 89 9.591 0.667 -0.567 1.00 0.54 H new ATOM 1378 N ALA A 90 8.802 0.157 2.217 1.00 0.33 N ATOM 1379 CA ALA A 90 7.940 0.579 3.316 1.00 0.38 C ATOM 1380 C ALA A 90 8.532 0.159 4.657 1.00 0.36 C ATOM 1381 O ALA A 90 8.489 0.920 5.622 1.00 0.39 O ATOM 1382 CB ALA A 90 6.551 -0.036 3.155 1.00 0.47 C ATOM 0 H ALA A 90 8.331 -0.409 1.511 1.00 0.33 H new ATOM 0 HA ALA A 90 7.862 1.666 3.293 1.00 0.38 H new ATOM 0 HB1 ALA A 90 5.914 0.284 3.979 1.00 0.47 H new ATOM 0 HB2 ALA A 90 6.115 0.292 2.211 1.00 0.47 H new ATOM 0 HB3 ALA A 90 6.632 -1.123 3.159 1.00 0.47 H new ATOM 1388 N ASP A 91 9.061 -1.065 4.719 1.00 0.38 N ATOM 1389 CA ASP A 91 9.742 -1.538 5.899 1.00 0.41 C ATOM 1390 C ASP A 91 11.105 -0.858 5.969 1.00 0.46 C ATOM 1391 O ASP A 91 12.008 -1.214 5.214 1.00 1.07 O ATOM 1392 CB ASP A 91 9.892 -3.060 5.892 1.00 0.54 C ATOM 1393 CG ASP A 91 10.331 -3.490 7.270 1.00 0.80 C ATOM 1394 OD1 ASP A 91 9.434 -3.675 8.120 1.00 1.21 O ATOM 1395 OD2 ASP A 91 11.542 -3.593 7.542 1.00 0.86 O ATOM 0 H ASP A 91 9.024 -1.740 3.955 1.00 0.38 H new ATOM 0 HA ASP A 91 9.152 -1.287 6.781 1.00 0.41 H new ATOM 0 HB2 ASP A 91 8.947 -3.535 5.627 1.00 0.54 H new ATOM 0 HB3 ASP A 91 10.624 -3.368 5.145 1.00 0.54 H new ATOM 1400 N ASN A 92 11.257 0.128 6.852 1.00 0.80 N ATOM 1401 CA ASN A 92 12.502 0.880 6.974 1.00 0.91 C ATOM 1402 C ASN A 92 13.357 0.370 8.138 1.00 0.83 C ATOM 1403 O ASN A 92 14.426 0.922 8.392 1.00 1.16 O ATOM 1404 CB ASN A 92 12.251 2.396 6.973 1.00 1.19 C ATOM 1405 CG ASN A 92 11.488 2.921 8.185 1.00 1.49 C ATOM 1406 OD1 ASN A 92 11.708 2.491 9.311 1.00 2.87 O ATOM 1407 ND2 ASN A 92 10.583 3.873 7.966 1.00 1.84 N ATOM 0 H ASN A 92 10.526 0.425 7.498 1.00 0.80 H new ATOM 0 HA ASN A 92 13.105 0.698 6.084 1.00 0.91 H new ATOM 0 HB2 ASN A 92 13.211 2.909 6.916 1.00 1.19 H new ATOM 0 HB3 ASN A 92 11.697 2.657 6.072 1.00 1.19 H new ATOM 0 HD21 ASN A 92 10.053 4.262 8.746 1.00 1.84 H new ATOM 0 HD22 ASN A 92 10.420 4.213 7.018 1.00 1.84 H new ATOM 1414 N ASP A 93 12.936 -0.726 8.785 1.00 0.98 N ATOM 1415 CA ASP A 93 13.767 -1.469 9.723 1.00 0.92 C ATOM 1416 C ASP A 93 14.716 -2.370 8.938 1.00 0.85 C ATOM 1417 O ASP A 93 15.918 -2.407 9.197 1.00 0.91 O ATOM 1418 CB ASP A 93 12.914 -2.374 10.627 1.00 0.89 C ATOM 1419 CG ASP A 93 12.055 -1.634 11.637 1.00 1.00 C ATOM 1420 OD1 ASP A 93 12.627 -0.930 12.490 1.00 1.40 O ATOM 1421 OD2 ASP A 93 10.822 -1.847 11.557 1.00 0.92 O ATOM 0 H ASP A 93 12.002 -1.119 8.666 1.00 0.98 H new ATOM 0 HA ASP A 93 14.309 -0.749 10.337 1.00 0.92 H new ATOM 0 HB2 ASP A 93 12.266 -2.985 9.999 1.00 0.89 H new ATOM 0 HB3 ASP A 93 13.575 -3.056 11.163 1.00 0.89 H new ATOM 1426 N GLY A 94 14.140 -3.160 8.029 1.00 0.80 N ATOM 1427 CA GLY A 94 14.738 -4.377 7.517 1.00 0.83 C ATOM 1428 C GLY A 94 14.282 -5.561 8.370 1.00 0.76 C ATOM 1429 O GLY A 94 15.100 -6.408 8.728 1.00 0.82 O ATOM 0 H GLY A 94 13.225 -2.960 7.625 1.00 0.80 H new ATOM 0 HA2 GLY A 94 14.447 -4.529 6.478 1.00 0.83 H new ATOM 0 HA3 GLY A 94 15.825 -4.298 7.536 1.00 0.83 H new ATOM 1433 N ASP A 95 12.980 -5.622 8.687 1.00 0.69 N ATOM 1434 CA ASP A 95 12.359 -6.707 9.448 1.00 0.65 C ATOM 1435 C ASP A 95 11.166 -7.286 8.682 1.00 0.70 C ATOM 1436 O ASP A 95 11.073 -8.498 8.512 1.00 0.84 O ATOM 1437 CB ASP A 95 12.017 -6.267 10.885 1.00 0.59 C ATOM 1438 CG ASP A 95 10.593 -5.769 11.071 1.00 0.95 C ATOM 1439 OD1 ASP A 95 10.287 -4.652 10.602 1.00 1.34 O ATOM 1440 OD2 ASP A 95 9.801 -6.512 11.687 1.00 2.46 O ATOM 0 H ASP A 95 12.316 -4.898 8.412 1.00 0.69 H new ATOM 0 HA ASP A 95 13.079 -7.518 9.558 1.00 0.65 H new ATOM 0 HB2 ASP A 95 12.185 -7.108 11.558 1.00 0.59 H new ATOM 0 HB3 ASP A 95 12.706 -5.477 11.183 1.00 0.59 H new ATOM 1445 N GLY A 96 10.272 -6.424 8.188 1.00 0.63 N ATOM 1446 CA GLY A 96 9.187 -6.784 7.284 1.00 0.61 C ATOM 1447 C GLY A 96 7.853 -6.299 7.837 1.00 0.65 C ATOM 1448 O GLY A 96 7.050 -5.718 7.110 1.00 0.75 O ATOM 0 H GLY A 96 10.288 -5.430 8.415 1.00 0.63 H new ATOM 0 HA2 GLY A 96 9.362 -6.345 6.302 1.00 0.61 H new ATOM 0 HA3 GLY A 96 9.161 -7.865 7.149 1.00 0.61 H new ATOM 1452 N LYS A 97 7.614 -6.537 9.130 1.00 0.69 N ATOM 1453 CA LYS A 97 6.441 -6.020 9.812 1.00 0.73 C ATOM 1454 C LYS A 97 6.460 -4.490 9.742 1.00 0.65 C ATOM 1455 O LYS A 97 7.355 -3.841 10.298 1.00 0.72 O ATOM 1456 CB LYS A 97 6.433 -6.505 11.265 1.00 0.80 C ATOM 1457 CG LYS A 97 6.291 -8.034 11.374 1.00 2.09 C ATOM 1458 CD LYS A 97 7.338 -8.687 12.292 1.00 1.91 C ATOM 1459 CE LYS A 97 7.405 -8.032 13.683 1.00 2.79 C ATOM 1460 NZ LYS A 97 8.629 -7.220 13.848 1.00 3.62 N ATOM 0 H LYS A 97 8.230 -7.092 9.724 1.00 0.69 H new ATOM 0 HA LYS A 97 5.533 -6.383 9.330 1.00 0.73 H new ATOM 0 HB2 LYS A 97 7.356 -6.193 11.754 1.00 0.80 H new ATOM 0 HB3 LYS A 97 5.612 -6.028 11.800 1.00 0.80 H new ATOM 0 HG2 LYS A 97 5.295 -8.272 11.747 1.00 2.09 H new ATOM 0 HG3 LYS A 97 6.371 -8.470 10.378 1.00 2.09 H new ATOM 0 HD2 LYS A 97 7.105 -9.746 12.405 1.00 1.91 H new ATOM 0 HD3 LYS A 97 8.318 -8.625 11.819 1.00 1.91 H new ATOM 0 HE2 LYS A 97 6.528 -7.402 13.831 1.00 2.79 H new ATOM 0 HE3 LYS A 97 7.375 -8.805 14.451 1.00 2.79 H new ATOM 0 HZ1 LYS A 97 9.204 -7.612 14.620 1.00 3.62 H new ATOM 0 HZ2 LYS A 97 9.178 -7.236 12.965 1.00 3.62 H new ATOM 0 HZ3 LYS A 97 8.367 -6.239 14.075 1.00 3.62 H new ATOM 1474 N ILE A 98 5.479 -3.924 9.043 1.00 0.61 N ATOM 1475 CA ILE A 98 5.290 -2.488 8.889 1.00 0.58 C ATOM 1476 C ILE A 98 4.241 -2.022 9.895 1.00 0.60 C ATOM 1477 O ILE A 98 3.390 -2.804 10.309 1.00 0.77 O ATOM 1478 CB ILE A 98 4.923 -2.203 7.423 1.00 0.59 C ATOM 1479 CG1 ILE A 98 6.215 -2.264 6.597 1.00 0.68 C ATOM 1480 CG2 ILE A 98 4.220 -0.859 7.188 1.00 0.76 C ATOM 1481 CD1 ILE A 98 5.924 -2.802 5.201 1.00 0.74 C ATOM 0 H ILE A 98 4.772 -4.472 8.553 1.00 0.61 H new ATOM 0 HA ILE A 98 6.197 -1.924 9.104 1.00 0.58 H new ATOM 0 HB ILE A 98 4.199 -2.959 7.119 1.00 0.59 H new ATOM 0 HG12 ILE A 98 6.657 -1.270 6.527 1.00 0.68 H new ATOM 0 HG13 ILE A 98 6.944 -2.903 7.096 1.00 0.68 H new ATOM 0 HG21 ILE A 98 4.000 -0.744 6.127 1.00 0.76 H new ATOM 0 HG22 ILE A 98 3.291 -0.830 7.757 1.00 0.76 H new ATOM 0 HG23 ILE A 98 4.870 -0.047 7.514 1.00 0.76 H new ATOM 0 HD11 ILE A 98 6.849 -2.840 4.626 1.00 0.74 H new ATOM 0 HD12 ILE A 98 5.503 -3.804 5.278 1.00 0.74 H new ATOM 0 HD13 ILE A 98 5.212 -2.147 4.700 1.00 0.74 H new ATOM 1493 N GLY A 99 4.315 -0.749 10.285 1.00 0.99 N ATOM 1494 CA GLY A 99 3.351 -0.078 11.141 1.00 1.02 C ATOM 1495 C GLY A 99 2.876 1.198 10.452 1.00 0.87 C ATOM 1496 O GLY A 99 3.331 1.525 9.355 1.00 0.80 O ATOM 0 H GLY A 99 5.080 -0.138 9.999 1.00 0.99 H new ATOM 0 HA2 GLY A 99 2.505 -0.735 11.341 1.00 1.02 H new ATOM 0 HA3 GLY A 99 3.804 0.160 12.103 1.00 1.02 H new ATOM 1500 N ALA A 100 1.962 1.930 11.096 1.00 0.92 N ATOM 1501 CA ALA A 100 1.362 3.120 10.517 1.00 0.92 C ATOM 1502 C ALA A 100 2.435 4.156 10.244 1.00 0.84 C ATOM 1503 O ALA A 100 2.475 4.717 9.153 1.00 0.79 O ATOM 1504 CB ALA A 100 0.300 3.693 11.448 1.00 1.04 C ATOM 0 H ALA A 100 1.622 1.709 12.032 1.00 0.92 H new ATOM 0 HA ALA A 100 0.882 2.848 9.577 1.00 0.92 H new ATOM 0 HB1 ALA A 100 -0.137 4.584 10.997 1.00 1.04 H new ATOM 0 HB2 ALA A 100 -0.480 2.949 11.612 1.00 1.04 H new ATOM 0 HB3 ALA A 100 0.756 3.957 12.402 1.00 1.04 H new ATOM 1510 N GLU A 101 3.295 4.377 11.242 1.00 0.88 N ATOM 1511 CA GLU A 101 4.426 5.271 11.115 1.00 0.84 C ATOM 1512 C GLU A 101 5.275 4.841 9.915 1.00 0.65 C ATOM 1513 O GLU A 101 5.230 5.512 8.892 1.00 0.76 O ATOM 1514 CB GLU A 101 5.194 5.367 12.448 1.00 0.95 C ATOM 1515 CG GLU A 101 4.953 6.706 13.177 1.00 1.95 C ATOM 1516 CD GLU A 101 4.301 6.526 14.541 1.00 2.43 C ATOM 1517 OE1 GLU A 101 3.094 6.197 14.552 1.00 3.68 O ATOM 1518 OE2 GLU A 101 5.019 6.712 15.547 1.00 2.60 O ATOM 0 H GLU A 101 3.218 3.935 12.158 1.00 0.88 H new ATOM 0 HA GLU A 101 4.096 6.289 10.909 1.00 0.84 H new ATOM 0 HB2 GLU A 101 4.892 4.545 13.097 1.00 0.95 H new ATOM 0 HB3 GLU A 101 6.261 5.248 12.258 1.00 0.95 H new ATOM 0 HG2 GLU A 101 5.904 7.224 13.300 1.00 1.95 H new ATOM 0 HG3 GLU A 101 4.321 7.343 12.558 1.00 1.95 H new ATOM 1525 N GLU A 102 5.943 3.681 9.984 1.00 0.49 N ATOM 1526 CA GLU A 102 6.735 3.128 8.880 1.00 0.34 C ATOM 1527 C GLU A 102 6.069 3.364 7.513 1.00 0.34 C ATOM 1528 O GLU A 102 6.704 3.860 6.580 1.00 0.39 O ATOM 1529 CB GLU A 102 7.007 1.626 9.113 1.00 0.36 C ATOM 1530 CG GLU A 102 8.483 1.346 9.425 1.00 0.95 C ATOM 1531 CD GLU A 102 8.778 -0.137 9.577 1.00 0.73 C ATOM 1532 OE1 GLU A 102 8.045 -0.861 10.284 1.00 1.21 O ATOM 1533 OE2 GLU A 102 9.752 -0.663 8.996 1.00 1.40 O ATOM 0 H GLU A 102 5.948 3.095 10.819 1.00 0.49 H new ATOM 0 HA GLU A 102 7.688 3.657 8.862 1.00 0.34 H new ATOM 0 HB2 GLU A 102 6.389 1.270 9.938 1.00 0.36 H new ATOM 0 HB3 GLU A 102 6.711 1.063 8.227 1.00 0.36 H new ATOM 0 HG2 GLU A 102 9.103 1.756 8.628 1.00 0.95 H new ATOM 0 HG3 GLU A 102 8.761 1.864 10.343 1.00 0.95 H new ATOM 1540 N PHE A 103 4.778 3.027 7.403 1.00 0.40 N ATOM 1541 CA PHE A 103 4.041 3.211 6.163 1.00 0.46 C ATOM 1542 C PHE A 103 3.984 4.695 5.768 1.00 0.57 C ATOM 1543 O PHE A 103 4.403 5.065 4.669 1.00 0.63 O ATOM 1544 CB PHE A 103 2.645 2.594 6.308 1.00 0.57 C ATOM 1545 CG PHE A 103 1.854 2.546 5.016 1.00 1.29 C ATOM 1546 CD1 PHE A 103 2.202 1.616 4.018 1.00 1.66 C ATOM 1547 CD2 PHE A 103 0.782 3.432 4.804 1.00 2.87 C ATOM 1548 CE1 PHE A 103 1.480 1.571 2.812 1.00 2.14 C ATOM 1549 CE2 PHE A 103 0.047 3.372 3.607 1.00 3.59 C ATOM 1550 CZ PHE A 103 0.403 2.452 2.607 1.00 2.85 C ATOM 0 H PHE A 103 4.229 2.626 8.163 1.00 0.40 H new ATOM 0 HA PHE A 103 4.559 2.698 5.352 1.00 0.46 H new ATOM 0 HB2 PHE A 103 2.746 1.581 6.698 1.00 0.57 H new ATOM 0 HB3 PHE A 103 2.082 3.165 7.046 1.00 0.57 H new ATOM 0 HD1 PHE A 103 3.025 0.936 4.179 1.00 1.66 H new ATOM 0 HD2 PHE A 103 0.524 4.158 5.561 1.00 2.87 H new ATOM 0 HE1 PHE A 103 1.752 0.861 2.045 1.00 2.14 H new ATOM 0 HE2 PHE A 103 -0.793 4.034 3.456 1.00 3.59 H new ATOM 0 HZ PHE A 103 -0.151 2.421 1.680 1.00 2.85 H new ATOM 1560 N GLN A 104 3.463 5.546 6.658 1.00 0.68 N ATOM 1561 CA GLN A 104 3.347 6.976 6.412 1.00 0.83 C ATOM 1562 C GLN A 104 4.713 7.584 6.106 1.00 0.77 C ATOM 1563 O GLN A 104 4.791 8.325 5.143 1.00 0.96 O ATOM 1564 CB GLN A 104 2.628 7.695 7.559 1.00 1.05 C ATOM 1565 CG GLN A 104 2.666 9.233 7.437 1.00 1.35 C ATOM 1566 CD GLN A 104 2.113 9.835 6.148 1.00 3.49 C ATOM 1567 OE1 GLN A 104 1.495 9.165 5.340 1.00 5.03 O ATOM 1568 NE2 GLN A 104 2.297 11.137 5.946 1.00 4.31 N ATOM 0 H GLN A 104 3.111 5.256 7.570 1.00 0.68 H new ATOM 0 HA GLN A 104 2.724 7.118 5.529 1.00 0.83 H new ATOM 0 HB2 GLN A 104 1.589 7.366 7.590 1.00 1.05 H new ATOM 0 HB3 GLN A 104 3.084 7.401 8.505 1.00 1.05 H new ATOM 0 HG2 GLN A 104 2.110 9.654 8.275 1.00 1.35 H new ATOM 0 HG3 GLN A 104 3.701 9.557 7.547 1.00 1.35 H new ATOM 0 HE21 GLN A 104 2.816 11.691 6.628 1.00 4.31 H new ATOM 0 HE22 GLN A 104 1.919 11.582 5.109 1.00 4.31 H new ATOM 1577 N GLU A 105 5.771 7.311 6.875 1.00 0.59 N ATOM 1578 CA GLU A 105 7.119 7.799 6.588 1.00 0.54 C ATOM 1579 C GLU A 105 7.450 7.618 5.110 1.00 0.58 C ATOM 1580 O GLU A 105 7.795 8.576 4.418 1.00 0.72 O ATOM 1581 CB GLU A 105 8.174 7.063 7.432 1.00 0.48 C ATOM 1582 CG GLU A 105 8.446 7.740 8.781 1.00 0.71 C ATOM 1583 CD GLU A 105 7.345 7.485 9.795 1.00 2.56 C ATOM 1584 OE1 GLU A 105 6.338 8.224 9.748 1.00 3.79 O ATOM 1585 OE2 GLU A 105 7.548 6.548 10.595 1.00 3.70 O ATOM 0 H GLU A 105 5.714 6.741 7.719 1.00 0.59 H new ATOM 0 HA GLU A 105 7.141 8.859 6.843 1.00 0.54 H new ATOM 0 HB2 GLU A 105 7.841 6.040 7.607 1.00 0.48 H new ATOM 0 HB3 GLU A 105 9.105 7.004 6.868 1.00 0.48 H new ATOM 0 HG2 GLU A 105 9.393 7.378 9.180 1.00 0.71 H new ATOM 0 HG3 GLU A 105 8.553 8.814 8.629 1.00 0.71 H new ATOM 1592 N MET A 106 7.356 6.381 4.621 1.00 0.53 N ATOM 1593 CA MET A 106 7.710 6.114 3.240 1.00 0.61 C ATOM 1594 C MET A 106 6.756 6.845 2.292 1.00 0.71 C ATOM 1595 O MET A 106 7.205 7.526 1.371 1.00 0.80 O ATOM 1596 CB MET A 106 7.798 4.601 2.987 1.00 0.73 C ATOM 1597 CG MET A 106 9.170 4.270 2.388 1.00 1.42 C ATOM 1598 SD MET A 106 10.565 4.549 3.514 1.00 3.31 S ATOM 1599 CE MET A 106 11.940 4.270 2.378 1.00 3.68 C ATOM 0 H MET A 106 7.044 5.568 5.153 1.00 0.53 H new ATOM 0 HA MET A 106 8.704 6.510 3.034 1.00 0.61 H new ATOM 0 HB2 MET A 106 7.653 4.055 3.919 1.00 0.73 H new ATOM 0 HB3 MET A 106 7.006 4.287 2.308 1.00 0.73 H new ATOM 0 HG2 MET A 106 9.174 3.226 2.075 1.00 1.42 H new ATOM 0 HG3 MET A 106 9.316 4.872 1.491 1.00 1.42 H new ATOM 0 HE1 MET A 106 12.883 4.402 2.909 1.00 3.68 H new ATOM 0 HE2 MET A 106 11.885 3.256 1.982 1.00 3.68 H new ATOM 0 HE3 MET A 106 11.883 4.984 1.556 1.00 3.68 H new ATOM 1609 N VAL A 107 5.448 6.743 2.538 1.00 0.77 N ATOM 1610 CA VAL A 107 4.434 7.440 1.754 1.00 0.89 C ATOM 1611 C VAL A 107 4.660 8.960 1.724 1.00 1.10 C ATOM 1612 O VAL A 107 4.373 9.605 0.721 1.00 1.36 O ATOM 1613 CB VAL A 107 3.040 7.059 2.282 1.00 0.82 C ATOM 1614 CG1 VAL A 107 1.944 7.971 1.728 1.00 0.90 C ATOM 1615 CG2 VAL A 107 2.706 5.610 1.905 1.00 0.71 C ATOM 0 H VAL A 107 5.064 6.171 3.290 1.00 0.77 H new ATOM 0 HA VAL A 107 4.511 7.122 0.714 1.00 0.89 H new ATOM 0 HB VAL A 107 3.072 7.174 3.365 1.00 0.82 H new ATOM 0 HG11 VAL A 107 0.978 7.664 2.129 1.00 0.90 H new ATOM 0 HG12 VAL A 107 2.146 9.002 2.020 1.00 0.90 H new ATOM 0 HG13 VAL A 107 1.926 7.899 0.641 1.00 0.90 H new ATOM 0 HG21 VAL A 107 1.717 5.354 2.285 1.00 0.71 H new ATOM 0 HG22 VAL A 107 2.716 5.505 0.820 1.00 0.71 H new ATOM 0 HG23 VAL A 107 3.447 4.940 2.342 1.00 0.71 H new ATOM 1625 N HIS A 108 5.146 9.532 2.825 1.00 1.11 N ATOM 1626 CA HIS A 108 5.322 10.959 3.039 1.00 1.21 C ATOM 1627 C HIS A 108 6.504 11.491 2.229 1.00 1.32 C ATOM 1628 O HIS A 108 6.603 12.699 2.020 1.00 1.47 O ATOM 1629 CB HIS A 108 5.555 11.198 4.540 1.00 1.40 C ATOM 1630 CG HIS A 108 5.729 12.638 4.948 1.00 1.65 C ATOM 1631 ND1 HIS A 108 4.897 13.684 4.623 1.00 1.83 N ATOM 1632 CD2 HIS A 108 6.710 13.127 5.771 1.00 2.62 C ATOM 1633 CE1 HIS A 108 5.371 14.780 5.240 1.00 1.95 C ATOM 1634 NE2 HIS A 108 6.468 14.491 5.958 1.00 2.50 N ATOM 0 H HIS A 108 5.441 8.980 3.630 1.00 1.11 H new ATOM 0 HA HIS A 108 4.430 11.490 2.707 1.00 1.21 H new ATOM 0 HB2 HIS A 108 4.712 10.782 5.092 1.00 1.40 H new ATOM 0 HB3 HIS A 108 6.442 10.642 4.845 1.00 1.40 H new ATOM 0 HD2 HIS A 108 7.524 12.560 6.198 1.00 2.62 H new ATOM 0 HE1 HIS A 108 4.928 15.762 5.168 1.00 1.95 H new ATOM 0 HE2 HIS A 108 7.015 15.137 6.526 1.00 2.50 H new ATOM 1642 N SER A 109 7.423 10.593 1.860 1.00 1.35 N ATOM 1643 CA SER A 109 8.644 10.945 1.158 1.00 1.51 C ATOM 1644 C SER A 109 8.387 11.458 -0.264 1.00 2.08 C ATOM 1645 O SER A 109 9.406 11.851 -0.879 1.00 2.63 O ATOM 1646 CB SER A 109 9.578 9.732 1.102 1.00 1.43 C ATOM 1647 OG SER A 109 10.825 10.134 0.569 1.00 1.75 O ATOM 1648 OXT SER A 109 7.231 11.390 -0.738 1.00 2.53 O ATOM 0 H SER A 109 7.332 9.594 2.046 1.00 1.35 H new ATOM 0 HA SER A 109 9.108 11.758 1.716 1.00 1.51 H new ATOM 0 HB2 SER A 109 9.712 9.314 2.100 1.00 1.43 H new ATOM 0 HB3 SER A 109 9.140 8.948 0.484 1.00 1.43 H new ATOM 0 HG SER A 109 10.680 10.801 -0.134 1.00 1.75 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.403 -2.682 10.096 1.00 0.62 CA HETATM 1656 CA CA A 111 -2.671 -6.411 11.280 1.00 0.95 CA