USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 522 hydrogens (10 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.104 USER MOD Single : A 9 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 143:sc= -2.32 (180deg=-5.13!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 180:sc= 0.031 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.95) USER MOD Single : B 54 ASN : amide:sc= -0.215 K(o=-0.22,f=-0.86) USER MOD Single : B 65 LYS NZ :NH3+ -174:sc= -0.0142 (180deg=-0.0706) USER MOD Single : B 66 MET CE :methyl 142:sc= -3.17! (180deg=-3.87!) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 18.662 10.616 -1.095 1.00 0.00 C HETATM 2 O ACE A 1 19.540 9.821 -1.446 1.00 0.00 O HETATM 3 CH3 ACE A 1 18.734 12.135 -1.499 1.00 0.00 C HETATM 0 H1 ACE A 1 17.854 12.398 -2.086 1.00 0.00 H new HETATM 0 H2 ACE A 1 18.767 12.750 -0.599 1.00 0.00 H new HETATM 0 H3 ACE A 1 19.631 12.312 -2.092 1.00 0.00 H new ATOM 7 N LYS A 2 17.645 10.236 -0.301 1.00 0.00 N ATOM 8 CA LYS A 2 17.691 9.015 0.565 1.00 0.00 C ATOM 9 C LYS A 2 17.454 7.728 -0.306 1.00 0.00 C ATOM 10 O LYS A 2 16.637 7.725 -1.234 1.00 0.00 O ATOM 11 CB LYS A 2 16.682 9.143 1.751 1.00 0.00 C ATOM 12 CG LYS A 2 16.328 7.828 2.507 1.00 0.00 C ATOM 13 CD LYS A 2 15.914 8.025 3.983 1.00 0.00 C ATOM 14 CE LYS A 2 16.356 6.832 4.850 1.00 0.00 C ATOM 15 NZ LYS A 2 16.470 7.271 6.268 1.00 0.00 N ATOM 0 H LYS A 2 16.769 10.753 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 2 18.681 8.921 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.091 9.851 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.758 9.576 1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.516 7.329 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.189 7.161 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.359 8.942 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.832 8.143 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.635 6.019 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.313 6.447 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.768 6.468 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.174 8.033 6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.548 7.619 6.599 1.00 0.00 H new ATOM 29 N SER A 3 18.220 6.654 -0.046 1.00 0.00 N ATOM 30 CA SER A 3 18.077 5.347 -0.763 1.00 0.00 C ATOM 31 C SER A 3 16.577 4.899 -0.900 1.00 0.00 C ATOM 32 O SER A 3 15.813 4.909 0.071 1.00 0.00 O ATOM 33 CB SER A 3 18.990 4.341 -0.023 1.00 0.00 C ATOM 34 OG SER A 3 19.397 3.249 -0.853 1.00 0.00 O ATOM 0 H SER A 3 18.956 6.653 0.661 1.00 0.00 H new ATOM 0 HA SER A 3 18.398 5.422 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.874 4.862 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.464 3.953 0.849 1.00 0.00 H new ATOM 0 HG SER A 3 19.972 2.644 -0.339 1.00 0.00 H new ATOM 40 N GLU A 4 16.150 4.527 -2.121 1.00 0.00 N ATOM 41 CA GLU A 4 14.879 3.770 -2.355 1.00 0.00 C ATOM 42 C GLU A 4 15.101 2.215 -2.360 1.00 0.00 C ATOM 43 O GLU A 4 14.158 1.444 -2.608 1.00 0.00 O ATOM 44 CB GLU A 4 14.066 4.345 -3.554 1.00 0.00 C ATOM 45 CG GLU A 4 13.049 5.508 -3.351 1.00 0.00 C ATOM 46 CD GLU A 4 13.564 6.832 -3.881 1.00 0.00 C ATOM 47 OE1 GLU A 4 14.585 7.326 -3.360 1.00 0.00 O ATOM 48 OE2 GLU A 4 13.087 7.318 -4.925 1.00 0.00 O ATOM 0 H GLU A 4 16.664 4.735 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 4 14.227 3.931 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.789 4.679 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.516 3.513 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.114 5.259 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.825 5.608 -2.289 1.00 0.00 H new ATOM 55 N GLU A 5 16.310 1.727 -2.028 1.00 0.00 N ATOM 56 CA GLU A 5 16.744 0.332 -2.362 1.00 0.00 C ATOM 57 C GLU A 5 15.960 -0.781 -1.580 1.00 0.00 C ATOM 58 O GLU A 5 15.480 -1.759 -2.164 1.00 0.00 O ATOM 59 CB GLU A 5 18.301 0.234 -2.249 1.00 0.00 C ATOM 60 CG GLU A 5 18.937 -1.112 -1.778 1.00 0.00 C ATOM 61 CD GLU A 5 19.428 -2.051 -2.872 1.00 0.00 C ATOM 62 OE1 GLU A 5 18.593 -2.599 -3.621 1.00 0.00 O ATOM 63 OE2 GLU A 5 20.651 -2.281 -2.964 1.00 0.00 O ATOM 0 H GLU A 5 17.015 2.269 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 5 16.474 0.124 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.719 0.472 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.632 1.014 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.778 -0.882 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.201 -1.645 -1.176 1.00 0.00 H new ATOM 70 N GLU A 6 15.773 -0.597 -0.261 1.00 0.00 N ATOM 71 CA GLU A 6 15.068 -1.584 0.617 1.00 0.00 C ATOM 72 C GLU A 6 13.507 -1.590 0.442 1.00 0.00 C ATOM 73 O GLU A 6 12.879 -2.647 0.315 1.00 0.00 O ATOM 74 CB GLU A 6 15.557 -1.403 2.092 1.00 0.00 C ATOM 75 CG GLU A 6 14.697 -0.540 3.069 1.00 0.00 C ATOM 76 CD GLU A 6 15.267 -0.326 4.466 1.00 0.00 C ATOM 77 OE1 GLU A 6 16.092 0.593 4.644 1.00 0.00 O ATOM 78 OE2 GLU A 6 14.867 -1.050 5.401 1.00 0.00 O ATOM 0 H GLU A 6 16.099 0.231 0.237 1.00 0.00 H new ATOM 0 HA GLU A 6 15.342 -2.589 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.658 -2.396 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.555 -0.967 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.538 0.437 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.718 -1.009 3.168 1.00 0.00 H new ATOM 85 N LEU A 7 12.879 -0.401 0.448 1.00 0.00 N ATOM 86 CA LEU A 7 11.445 -0.219 0.061 1.00 0.00 C ATOM 87 C LEU A 7 11.184 -0.650 -1.427 1.00 0.00 C ATOM 88 O LEU A 7 10.088 -1.101 -1.781 1.00 0.00 O ATOM 89 CB LEU A 7 11.015 1.256 0.332 1.00 0.00 C ATOM 90 CG LEU A 7 10.857 1.708 1.809 1.00 0.00 C ATOM 91 CD1 LEU A 7 9.378 1.973 2.131 1.00 0.00 C ATOM 92 CD2 LEU A 7 11.411 0.682 2.813 1.00 0.00 C ATOM 0 H LEU A 7 13.340 0.468 0.719 1.00 0.00 H new ATOM 0 HA LEU A 7 10.828 -0.875 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.748 1.910 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.064 1.425 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 7 11.440 2.623 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.283 2.289 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.998 2.758 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.803 1.060 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.272 1.054 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.881 -0.263 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.474 0.527 2.626 1.00 0.00 H new ATOM 104 N ALA A 8 12.209 -0.555 -2.294 1.00 0.00 N ATOM 105 CA ALA A 8 12.158 -1.099 -3.688 1.00 0.00 C ATOM 106 C ALA A 8 11.988 -2.658 -3.778 1.00 0.00 C ATOM 107 O ALA A 8 10.980 -3.167 -4.280 1.00 0.00 O ATOM 108 CB ALA A 8 13.448 -0.602 -4.372 1.00 0.00 C ATOM 0 H ALA A 8 13.095 -0.105 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 8 11.262 -0.738 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.478 -0.964 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.464 0.488 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.315 -0.978 -3.830 1.00 0.00 H new ATOM 114 N ASN A 9 12.976 -3.420 -3.273 1.00 0.00 N ATOM 115 CA ASN A 9 12.803 -4.865 -2.923 1.00 0.00 C ATOM 116 C ASN A 9 11.414 -5.182 -2.262 1.00 0.00 C ATOM 117 O ASN A 9 10.578 -5.889 -2.834 1.00 0.00 O ATOM 118 CB ASN A 9 14.000 -5.285 -2.013 1.00 0.00 C ATOM 119 CG ASN A 9 15.398 -4.951 -2.542 1.00 0.00 C ATOM 120 OD1 ASN A 9 16.256 -4.472 -1.809 1.00 0.00 O ATOM 121 ND2 ASN A 9 15.653 -5.148 -3.809 1.00 0.00 N ATOM 0 H ASN A 9 13.915 -3.066 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 9 12.805 -5.454 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.877 -4.806 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.944 -6.361 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.567 -4.903 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.938 -5.547 -4.417 1.00 0.00 H new ATOM 128 N ALA A 10 11.157 -4.629 -1.063 1.00 0.00 N ATOM 129 CA ALA A 10 9.889 -4.859 -0.303 1.00 0.00 C ATOM 130 C ALA A 10 8.573 -4.567 -1.112 1.00 0.00 C ATOM 131 O ALA A 10 7.535 -5.202 -0.895 1.00 0.00 O ATOM 132 CB ALA A 10 10.009 -3.991 0.968 1.00 0.00 C ATOM 0 H ALA A 10 11.812 -4.010 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 10 9.785 -5.919 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.112 -4.110 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.880 -4.305 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.119 -2.944 0.685 1.00 0.00 H new ATOM 138 N PHE A 11 8.622 -3.613 -2.059 1.00 0.00 N ATOM 139 CA PHE A 11 7.458 -3.252 -2.929 1.00 0.00 C ATOM 140 C PHE A 11 7.200 -4.325 -4.046 1.00 0.00 C ATOM 141 O PHE A 11 6.054 -4.672 -4.352 1.00 0.00 O ATOM 142 CB PHE A 11 7.698 -1.828 -3.533 1.00 0.00 C ATOM 143 CG PHE A 11 6.621 -1.246 -4.474 1.00 0.00 C ATOM 144 CD1 PHE A 11 5.256 -1.398 -4.197 1.00 0.00 C ATOM 145 CD2 PHE A 11 7.006 -0.551 -5.626 1.00 0.00 C ATOM 146 CE1 PHE A 11 4.301 -0.771 -4.998 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.053 0.085 -6.418 1.00 0.00 C ATOM 148 CZ PHE A 11 4.701 -0.024 -6.102 1.00 0.00 C ATOM 0 H PHE A 11 9.460 -3.065 -2.252 1.00 0.00 H new ATOM 0 HA PHE A 11 6.554 -3.235 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.828 -1.132 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.641 -1.852 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.942 -2.003 -3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.049 -0.507 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.251 -0.865 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.362 0.662 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.962 0.472 -6.714 1.00 0.00 H new ATOM 158 N ARG A 12 8.276 -4.869 -4.643 1.00 0.00 N ATOM 159 CA ARG A 12 8.195 -6.001 -5.619 1.00 0.00 C ATOM 160 C ARG A 12 7.946 -7.390 -4.927 1.00 0.00 C ATOM 161 O ARG A 12 7.334 -8.293 -5.507 1.00 0.00 O ATOM 162 CB ARG A 12 9.467 -6.001 -6.520 1.00 0.00 C ATOM 163 CG ARG A 12 10.775 -6.405 -5.791 1.00 0.00 C ATOM 164 CD ARG A 12 11.841 -6.973 -6.740 1.00 0.00 C ATOM 165 NE ARG A 12 12.749 -7.841 -5.939 1.00 0.00 N ATOM 166 CZ ARG A 12 14.024 -8.083 -6.208 1.00 0.00 C ATOM 167 NH1 ARG A 12 14.659 -7.560 -7.220 1.00 0.00 N ATOM 168 NH2 ARG A 12 14.671 -8.881 -5.421 1.00 0.00 N ATOM 0 H ARG A 12 9.228 -4.547 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 12 7.321 -5.844 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.305 -6.684 -7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.596 -5.005 -6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.181 -5.534 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.544 -7.147 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.373 -7.546 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.402 -6.166 -7.211 1.00 0.00 H new ATOM 0 HE ARG A 12 12.355 -8.288 -5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.173 -6.927 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.642 -7.784 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.198 -9.303 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.654 -9.088 -5.600 1.00 0.00 H new ATOM 182 N ILE A 13 8.449 -7.568 -3.694 1.00 0.00 N ATOM 183 CA ILE A 13 8.217 -8.792 -2.864 1.00 0.00 C ATOM 184 C ILE A 13 6.697 -8.913 -2.483 1.00 0.00 C ATOM 185 O ILE A 13 6.096 -9.989 -2.564 1.00 0.00 O ATOM 186 CB ILE A 13 9.175 -8.824 -1.603 1.00 0.00 C ATOM 187 CG1 ILE A 13 10.689 -9.035 -1.932 1.00 0.00 C ATOM 188 CG2 ILE A 13 8.755 -9.910 -0.570 1.00 0.00 C ATOM 189 CD1 ILE A 13 11.165 -10.499 -2.009 1.00 0.00 C ATOM 0 H ILE A 13 9.033 -6.871 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 13 8.470 -9.672 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 13 9.060 -7.825 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.904 -8.553 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.280 -8.521 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.442 -9.892 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.743 -9.707 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.785 -10.892 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.229 -10.524 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.992 -10.989 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.610 -11.021 -2.788 1.00 0.00 H new ATOM 201 N PHE A 14 6.060 -7.781 -2.127 1.00 0.00 N ATOM 202 CA PHE A 14 4.594 -7.720 -1.832 1.00 0.00 C ATOM 203 C PHE A 14 3.762 -8.139 -3.097 1.00 0.00 C ATOM 204 O PHE A 14 3.049 -9.149 -3.090 1.00 0.00 O ATOM 205 CB PHE A 14 4.224 -6.275 -1.372 1.00 0.00 C ATOM 206 CG PHE A 14 4.685 -5.840 0.033 1.00 0.00 C ATOM 207 CD1 PHE A 14 5.095 -6.798 0.964 1.00 0.00 C ATOM 208 CD2 PHE A 14 4.692 -4.488 0.395 1.00 0.00 C ATOM 209 CE1 PHE A 14 5.506 -6.413 2.238 1.00 0.00 C ATOM 210 CE2 PHE A 14 5.106 -4.102 1.667 1.00 0.00 C ATOM 211 CZ PHE A 14 5.512 -5.064 2.588 1.00 0.00 C ATOM 0 H PHE A 14 6.533 -6.882 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 14 4.353 -8.419 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.640 -5.574 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.140 -6.174 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.093 -7.844 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.374 -3.740 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.820 -7.159 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.112 -3.057 1.939 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.832 -4.764 3.575 1.00 0.00 H new ATOM 221 N ASP A 15 3.894 -7.386 -4.203 1.00 0.00 N ATOM 222 CA ASP A 15 3.259 -7.729 -5.516 1.00 0.00 C ATOM 223 C ASP A 15 3.850 -9.036 -6.154 1.00 0.00 C ATOM 224 O ASP A 15 4.857 -9.002 -6.870 1.00 0.00 O ATOM 225 CB ASP A 15 3.355 -6.460 -6.418 1.00 0.00 C ATOM 226 CG ASP A 15 2.762 -6.570 -7.822 1.00 0.00 C ATOM 227 OD1 ASP A 15 1.763 -7.299 -7.990 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.281 -5.936 -8.765 1.00 0.00 O ATOM 0 H ASP A 15 4.438 -6.524 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 15 2.208 -7.985 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.859 -5.638 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.406 -6.189 -6.513 1.00 0.00 H new ATOM 233 N LYS A 16 3.257 -10.203 -5.842 1.00 0.00 N ATOM 234 CA LYS A 16 3.913 -11.535 -6.035 1.00 0.00 C ATOM 235 C LYS A 16 4.135 -11.784 -7.570 1.00 0.00 C ATOM 236 O LYS A 16 5.055 -12.502 -7.977 1.00 0.00 O ATOM 237 CB LYS A 16 3.092 -12.675 -5.340 1.00 0.00 C ATOM 238 CG LYS A 16 3.631 -13.255 -3.997 1.00 0.00 C ATOM 239 CD LYS A 16 4.647 -14.404 -4.159 1.00 0.00 C ATOM 240 CE LYS A 16 4.093 -15.730 -4.699 1.00 0.00 C ATOM 241 NZ LYS A 16 3.576 -16.490 -3.522 1.00 0.00 N ATOM 0 H LYS A 16 2.317 -10.263 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 16 4.890 -11.539 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.085 -12.298 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.002 -13.500 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.099 -12.450 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.788 -13.613 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.441 -14.068 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.106 -14.595 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.299 -15.551 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.872 -16.294 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.188 -17.401 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.352 -16.659 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.828 -15.939 -3.055 1.00 0.00 H new ATOM 255 N ASN A 17 3.295 -11.174 -8.425 1.00 0.00 N ATOM 256 CA ASN A 17 3.435 -11.256 -9.913 1.00 0.00 C ATOM 257 C ASN A 17 4.400 -10.186 -10.538 1.00 0.00 C ATOM 258 O ASN A 17 5.232 -10.497 -11.398 1.00 0.00 O ATOM 259 CB ASN A 17 2.014 -11.184 -10.559 1.00 0.00 C ATOM 260 CG ASN A 17 1.036 -12.370 -10.463 1.00 0.00 C ATOM 261 OD1 ASN A 17 1.451 -13.502 -10.253 1.00 0.00 O ATOM 262 ND2 ASN A 17 -0.252 -12.181 -10.597 1.00 0.00 N ATOM 0 H ASN A 17 2.501 -10.611 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 17 3.910 -12.212 -10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.510 -10.320 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.156 -10.973 -11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.893 -12.971 -10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.614 -11.244 -10.772 1.00 0.00 H new ATOM 269 N ALA A 18 4.263 -8.912 -10.130 1.00 0.00 N ATOM 270 CA ALA A 18 5.355 -7.892 -10.221 1.00 0.00 C ATOM 271 C ALA A 18 5.554 -7.269 -11.649 1.00 0.00 C ATOM 272 O ALA A 18 6.584 -7.474 -12.301 1.00 0.00 O ATOM 273 CB ALA A 18 6.623 -8.601 -9.699 1.00 0.00 C ATOM 0 H ALA A 18 3.399 -8.548 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 18 5.098 -7.018 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.467 -7.912 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.463 -8.923 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.836 -9.470 -10.321 1.00 0.00 H new ATOM 279 N ASP A 19 4.566 -6.494 -12.131 1.00 0.00 N ATOM 280 CA ASP A 19 4.750 -5.490 -13.225 1.00 0.00 C ATOM 281 C ASP A 19 5.278 -4.108 -12.699 1.00 0.00 C ATOM 282 O ASP A 19 5.929 -3.351 -13.430 1.00 0.00 O ATOM 283 CB ASP A 19 3.410 -5.418 -14.019 1.00 0.00 C ATOM 284 CG ASP A 19 2.502 -6.644 -13.929 1.00 0.00 C ATOM 285 OD1 ASP A 19 2.720 -7.603 -14.696 1.00 0.00 O ATOM 286 OD2 ASP A 19 1.565 -6.660 -13.102 1.00 0.00 O ATOM 0 H ASP A 19 3.609 -6.537 -11.780 1.00 0.00 H new ATOM 0 HA ASP A 19 5.541 -5.803 -13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.850 -4.551 -13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.644 -5.242 -15.069 1.00 0.00 H new ATOM 291 N GLY A 20 5.044 -3.796 -11.411 1.00 0.00 N ATOM 292 CA GLY A 20 5.339 -2.450 -10.825 1.00 0.00 C ATOM 293 C GLY A 20 4.386 -1.998 -9.661 1.00 0.00 C ATOM 294 O GLY A 20 4.725 -1.113 -8.865 1.00 0.00 O ATOM 0 H GLY A 20 4.648 -4.456 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.364 -2.451 -10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.290 -1.707 -11.621 1.00 0.00 H new ATOM 298 N TYR A 21 3.163 -2.556 -9.597 1.00 0.00 N ATOM 299 CA TYR A 21 1.987 -1.896 -8.948 1.00 0.00 C ATOM 300 C TYR A 21 1.464 -2.722 -7.717 1.00 0.00 C ATOM 301 O TYR A 21 1.705 -3.930 -7.607 1.00 0.00 O ATOM 302 CB TYR A 21 0.815 -1.708 -9.968 1.00 0.00 C ATOM 303 CG TYR A 21 1.075 -0.804 -11.189 1.00 0.00 C ATOM 304 CD1 TYR A 21 2.164 -1.081 -12.028 1.00 0.00 C ATOM 305 CD2 TYR A 21 0.256 0.290 -11.468 1.00 0.00 C ATOM 306 CE1 TYR A 21 2.440 -0.247 -13.110 1.00 0.00 C ATOM 307 CE2 TYR A 21 0.533 1.119 -12.557 1.00 0.00 C ATOM 308 CZ TYR A 21 1.631 0.846 -13.373 1.00 0.00 C ATOM 309 OH TYR A 21 1.893 1.635 -14.463 1.00 0.00 O ATOM 0 H TYR A 21 2.950 -3.473 -9.989 1.00 0.00 H new ATOM 0 HA TYR A 21 2.328 -0.921 -8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.526 -2.693 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.041 -1.305 -9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.789 -1.941 -11.836 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.597 0.497 -10.839 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.288 -0.454 -13.746 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.100 1.968 -12.767 1.00 0.00 H new ATOM 0 HH TYR A 21 1.234 2.359 -14.509 1.00 0.00 H new ATOM 319 N ILE A 22 0.790 -2.059 -6.760 1.00 0.00 N ATOM 320 CA ILE A 22 -0.145 -2.713 -5.792 1.00 0.00 C ATOM 321 C ILE A 22 -1.636 -2.410 -6.187 1.00 0.00 C ATOM 322 O ILE A 22 -1.945 -1.364 -6.767 1.00 0.00 O ATOM 323 CB ILE A 22 0.186 -2.320 -4.292 1.00 0.00 C ATOM 324 CG1 ILE A 22 1.710 -2.240 -3.954 1.00 0.00 C ATOM 325 CG2 ILE A 22 -0.481 -3.285 -3.269 1.00 0.00 C ATOM 326 CD1 ILE A 22 2.110 -2.683 -2.533 1.00 0.00 C ATOM 0 H ILE A 22 0.870 -1.051 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.004 -3.792 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.229 -1.316 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.254 -2.854 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.041 -1.212 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.225 -2.975 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.563 -3.257 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.122 -4.300 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.189 -2.585 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.604 -2.055 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.820 -3.723 -2.381 1.00 0.00 H new ATOM 338 N ASP A 23 -2.571 -3.301 -5.812 1.00 0.00 N ATOM 339 CA ASP A 23 -4.044 -3.076 -5.963 1.00 0.00 C ATOM 340 C ASP A 23 -4.788 -2.993 -4.582 1.00 0.00 C ATOM 341 O ASP A 23 -4.247 -3.366 -3.535 1.00 0.00 O ATOM 342 CB ASP A 23 -4.585 -4.172 -6.931 1.00 0.00 C ATOM 343 CG ASP A 23 -3.971 -5.565 -6.788 1.00 0.00 C ATOM 344 OD1 ASP A 23 -3.718 -5.988 -5.643 1.00 0.00 O ATOM 345 OD2 ASP A 23 -3.770 -6.259 -7.808 1.00 0.00 O ATOM 0 H ASP A 23 -2.340 -4.202 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.243 -2.098 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.662 -4.256 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.428 -3.832 -7.955 1.00 0.00 H new ATOM 350 N ILE A 24 -6.059 -2.545 -4.590 1.00 0.00 N ATOM 351 CA ILE A 24 -6.918 -2.500 -3.365 1.00 0.00 C ATOM 352 C ILE A 24 -7.162 -3.953 -2.817 1.00 0.00 C ATOM 353 O ILE A 24 -7.440 -4.147 -1.626 1.00 0.00 O ATOM 354 CB ILE A 24 -8.266 -1.702 -3.610 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.769 -0.871 -2.386 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.427 -2.631 -4.068 1.00 0.00 C ATOM 357 CD1 ILE A 24 -10.262 -0.484 -2.401 1.00 0.00 C ATOM 0 H ILE A 24 -6.526 -2.205 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.385 -1.943 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.998 -1.002 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.571 -1.441 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.178 0.043 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.328 -2.038 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.152 -3.124 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.615 -3.383 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.498 0.089 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.473 0.119 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.872 -1.387 -2.425 1.00 0.00 H new ATOM 369 N GLU A 25 -7.103 -4.974 -3.689 1.00 0.00 N ATOM 370 CA GLU A 25 -7.253 -6.410 -3.293 1.00 0.00 C ATOM 371 C GLU A 25 -6.015 -6.984 -2.514 1.00 0.00 C ATOM 372 O GLU A 25 -6.148 -7.847 -1.639 1.00 0.00 O ATOM 373 CB GLU A 25 -7.681 -7.249 -4.541 1.00 0.00 C ATOM 374 CG GLU A 25 -9.162 -7.166 -5.032 1.00 0.00 C ATOM 375 CD GLU A 25 -9.493 -6.038 -6.001 1.00 0.00 C ATOM 376 OE1 GLU A 25 -8.569 -5.520 -6.661 1.00 0.00 O ATOM 377 OE2 GLU A 25 -10.680 -5.669 -6.120 1.00 0.00 O ATOM 0 H GLU A 25 -6.951 -4.842 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.052 -6.484 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.041 -6.954 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.463 -8.295 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.417 -8.112 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.806 -7.066 -4.158 1.00 0.00 H new ATOM 384 N GLU A 26 -4.803 -6.506 -2.847 1.00 0.00 N ATOM 385 CA GLU A 26 -3.536 -6.868 -2.139 1.00 0.00 C ATOM 386 C GLU A 26 -3.316 -6.096 -0.789 1.00 0.00 C ATOM 387 O GLU A 26 -2.688 -6.603 0.146 1.00 0.00 O ATOM 388 CB GLU A 26 -2.338 -6.776 -3.142 1.00 0.00 C ATOM 389 CG GLU A 26 -2.194 -7.873 -4.244 1.00 0.00 C ATOM 390 CD GLU A 26 -1.280 -7.542 -5.416 1.00 0.00 C ATOM 391 OE1 GLU A 26 -0.287 -6.811 -5.223 1.00 0.00 O ATOM 392 OE2 GLU A 26 -1.570 -7.981 -6.548 1.00 0.00 O ATOM 0 H GLU A 26 -4.661 -5.853 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.612 -7.903 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.401 -5.810 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.418 -6.772 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.827 -8.785 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.186 -8.094 -4.637 1.00 0.00 H new ATOM 399 N LEU A 27 -3.857 -4.869 -0.680 1.00 0.00 N ATOM 400 CA LEU A 27 -3.482 -3.891 0.389 1.00 0.00 C ATOM 401 C LEU A 27 -3.914 -4.388 1.814 1.00 0.00 C ATOM 402 O LEU A 27 -3.132 -4.355 2.771 1.00 0.00 O ATOM 403 CB LEU A 27 -4.085 -2.491 0.039 1.00 0.00 C ATOM 404 CG LEU A 27 -3.876 -1.324 1.039 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.608 -0.013 0.281 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.073 -1.119 1.982 1.00 0.00 C ATOM 0 H LEU A 27 -4.566 -4.516 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.396 -3.802 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.672 -2.183 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.158 -2.618 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.015 -1.596 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.463 0.797 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.712 -0.123 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.459 0.217 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.866 -0.289 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.964 -0.896 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.238 -2.026 2.563 1.00 0.00 H new ATOM 418 N GLY A 28 -5.146 -4.914 1.941 1.00 0.00 N ATOM 419 CA GLY A 28 -5.711 -5.379 3.249 1.00 0.00 C ATOM 420 C GLY A 28 -5.167 -6.764 3.755 1.00 0.00 C ATOM 421 O GLY A 28 -4.876 -6.943 4.943 1.00 0.00 O ATOM 0 H GLY A 28 -5.784 -5.034 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.500 -4.625 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.795 -5.444 3.156 1.00 0.00 H new ATOM 425 N GLU A 29 -4.975 -7.728 2.837 1.00 0.00 N ATOM 426 CA GLU A 29 -4.360 -9.056 3.152 1.00 0.00 C ATOM 427 C GLU A 29 -2.864 -8.969 3.623 1.00 0.00 C ATOM 428 O GLU A 29 -2.453 -9.637 4.578 1.00 0.00 O ATOM 429 CB GLU A 29 -4.611 -10.036 1.959 1.00 0.00 C ATOM 430 CG GLU A 29 -6.006 -10.725 1.832 1.00 0.00 C ATOM 431 CD GLU A 29 -6.238 -11.563 0.580 1.00 0.00 C ATOM 432 OE1 GLU A 29 -5.260 -11.852 -0.139 1.00 0.00 O ATOM 433 OE2 GLU A 29 -7.402 -11.904 0.286 1.00 0.00 O ATOM 0 H GLU A 29 -5.236 -7.622 1.857 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.857 -9.468 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.430 -9.485 1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.858 -10.822 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.151 -11.365 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.773 -9.952 1.873 1.00 0.00 H new ATOM 440 N ILE A 30 -2.062 -8.098 2.985 1.00 0.00 N ATOM 441 CA ILE A 30 -0.727 -7.673 3.516 1.00 0.00 C ATOM 442 C ILE A 30 -0.874 -7.127 4.982 1.00 0.00 C ATOM 443 O ILE A 30 -0.404 -7.736 5.950 1.00 0.00 O ATOM 444 CB ILE A 30 -0.005 -6.647 2.547 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.622 -7.283 1.265 1.00 0.00 C ATOM 446 CG2 ILE A 30 1.108 -5.836 3.272 1.00 0.00 C ATOM 447 CD1 ILE A 30 1.691 -8.368 1.503 1.00 0.00 C ATOM 0 H ILE A 30 -2.305 -7.665 2.094 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.077 -8.547 3.556 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.817 -5.992 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.181 -7.717 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.067 -6.487 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.574 -5.147 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.670 -5.272 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.862 -6.520 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.055 -8.737 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.521 -7.943 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.254 -9.192 2.067 1.00 0.00 H new ATOM 459 N LEU A 31 -1.562 -5.983 5.148 1.00 0.00 N ATOM 460 CA LEU A 31 -1.522 -5.166 6.400 1.00 0.00 C ATOM 461 C LEU A 31 -2.213 -5.908 7.601 1.00 0.00 C ATOM 462 O LEU A 31 -2.016 -5.558 8.769 1.00 0.00 O ATOM 463 CB LEU A 31 -2.150 -3.761 6.138 1.00 0.00 C ATOM 464 CG LEU A 31 -3.681 -3.685 5.897 1.00 0.00 C ATOM 465 CD1 LEU A 31 -4.425 -3.543 7.235 1.00 0.00 C ATOM 466 CD2 LEU A 31 -4.087 -2.523 4.974 1.00 0.00 C ATOM 0 H LEU A 31 -2.165 -5.589 4.425 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.481 -5.024 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.913 -3.124 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.653 -3.329 5.270 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.959 -4.615 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.498 -3.491 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.207 -4.405 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.099 -2.633 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.169 -2.523 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.775 -1.578 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.605 -2.643 4.004 1.00 0.00 H new ATOM 478 N ARG A 32 -3.034 -6.933 7.310 1.00 0.00 N ATOM 479 CA ARG A 32 -3.838 -7.659 8.344 1.00 0.00 C ATOM 480 C ARG A 32 -3.203 -9.062 8.662 1.00 0.00 C ATOM 481 O ARG A 32 -3.389 -9.618 9.750 1.00 0.00 O ATOM 482 CB ARG A 32 -5.283 -7.663 7.766 1.00 0.00 C ATOM 483 CG ARG A 32 -6.406 -7.888 8.802 1.00 0.00 C ATOM 484 CD ARG A 32 -6.958 -9.325 8.741 1.00 0.00 C ATOM 485 NE ARG A 32 -6.674 -9.996 10.042 1.00 0.00 N ATOM 486 CZ ARG A 32 -7.500 -10.052 11.080 1.00 0.00 C ATOM 487 NH1 ARG A 32 -8.673 -9.483 11.108 1.00 0.00 N ATOM 488 NH2 ARG A 32 -7.120 -10.710 12.127 1.00 0.00 N ATOM 0 H ARG A 32 -3.167 -7.289 6.364 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.852 -7.190 9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.459 -6.711 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.351 -8.441 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.023 -7.687 9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.215 -7.180 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.031 -9.311 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.494 -9.875 7.922 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.767 -10.451 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.004 -8.956 10.300 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.260 -9.565 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.208 -11.167 12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.732 -10.771 12.941 1.00 0.00 H new ATOM 502 N ALA A 33 -2.464 -9.641 7.699 1.00 0.00 N ATOM 503 CA ALA A 33 -1.605 -10.845 7.936 1.00 0.00 C ATOM 504 C ALA A 33 -0.252 -10.551 8.681 1.00 0.00 C ATOM 505 O ALA A 33 0.463 -9.597 8.358 1.00 0.00 O ATOM 506 CB ALA A 33 -1.392 -11.478 6.544 1.00 0.00 C ATOM 0 H ALA A 33 -2.436 -9.301 6.738 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.104 -11.527 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.770 -12.368 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.357 -11.754 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.899 -10.759 5.889 1.00 0.00 H new ATOM 512 N THR A 34 0.065 -11.338 9.723 1.00 0.00 N ATOM 513 CA THR A 34 1.318 -11.199 10.528 1.00 0.00 C ATOM 514 C THR A 34 1.854 -12.621 10.929 1.00 0.00 C ATOM 515 O THR A 34 3.018 -12.959 10.689 1.00 0.00 O ATOM 516 CB THR A 34 1.071 -10.272 11.764 1.00 0.00 C ATOM 517 OG1 THR A 34 -0.230 -10.393 12.331 1.00 0.00 O ATOM 518 CG2 THR A 34 1.200 -8.790 11.376 1.00 0.00 C ATOM 0 H THR A 34 -0.536 -12.097 10.043 1.00 0.00 H new ATOM 0 HA THR A 34 2.092 -10.720 9.929 1.00 0.00 H new ATOM 0 HB THR A 34 1.823 -10.593 12.485 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.311 -9.787 13.097 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.024 -8.168 12.253 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.202 -8.600 10.992 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.466 -8.550 10.607 1.00 0.00 H new ATOM 526 N GLY A 35 1.018 -13.432 11.602 1.00 0.00 N ATOM 527 CA GLY A 35 1.476 -14.641 12.359 1.00 0.00 C ATOM 528 C GLY A 35 0.796 -15.992 11.934 1.00 0.00 C ATOM 529 O GLY A 35 1.315 -16.735 11.095 1.00 0.00 O ATOM 0 H GLY A 35 0.010 -13.281 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.554 -14.741 12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.291 -14.477 13.421 1.00 0.00 H new HETATM 533 N NH2 A 36 -0.394 -16.288 12.487 1.00 0.00 N TER 536 NH2 A 36 HETATM 537 C ACE B 37 -11.989 -6.115 12.494 1.00 0.00 C HETATM 538 O ACE B 37 -10.937 -5.469 12.549 1.00 0.00 O HETATM 539 CH3 ACE B 37 -12.831 -6.407 13.792 1.00 0.00 C HETATM 0 H1 ACE B 37 -13.827 -5.977 13.684 1.00 0.00 H new HETATM 0 H2 ACE B 37 -12.915 -7.484 13.937 1.00 0.00 H new HETATM 0 H3 ACE B 37 -12.335 -5.962 14.655 1.00 0.00 H new ATOM 543 N VAL B 38 -12.425 -6.652 11.341 1.00 0.00 N ATOM 544 CA VAL B 38 -11.933 -6.219 9.995 1.00 0.00 C ATOM 545 C VAL B 38 -13.067 -6.484 8.941 1.00 0.00 C ATOM 546 O VAL B 38 -13.649 -7.574 8.884 1.00 0.00 O ATOM 547 CB VAL B 38 -10.563 -6.907 9.644 1.00 0.00 C ATOM 548 CG1 VAL B 38 -10.698 -8.059 8.616 1.00 0.00 C ATOM 549 CG2 VAL B 38 -9.513 -5.930 9.062 1.00 0.00 C ATOM 0 H VAL B 38 -13.124 -7.394 11.301 1.00 0.00 H new ATOM 0 HA VAL B 38 -11.719 -5.150 9.989 1.00 0.00 H new ATOM 0 HB VAL B 38 -10.232 -7.292 10.609 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -9.716 -8.489 8.420 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -11.357 -8.829 9.017 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -11.116 -7.671 7.687 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -8.593 -6.472 8.843 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -9.899 -5.485 8.145 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -9.306 -5.143 9.788 1.00 0.00 H new ATOM 559 N THR B 39 -13.417 -5.465 8.135 1.00 0.00 N ATOM 560 CA THR B 39 -14.281 -5.634 6.925 1.00 0.00 C ATOM 561 C THR B 39 -13.654 -4.857 5.712 1.00 0.00 C ATOM 562 O THR B 39 -12.668 -4.126 5.859 1.00 0.00 O ATOM 563 CB THR B 39 -15.750 -5.193 7.235 1.00 0.00 C ATOM 564 OG1 THR B 39 -15.849 -3.977 7.971 1.00 0.00 O ATOM 565 CG2 THR B 39 -16.467 -6.241 8.101 1.00 0.00 C ATOM 0 H THR B 39 -13.117 -4.503 8.292 1.00 0.00 H new ATOM 0 HA THR B 39 -14.326 -6.687 6.647 1.00 0.00 H new ATOM 0 HB THR B 39 -16.200 -5.070 6.250 1.00 0.00 H new ATOM 0 HG1 THR B 39 -16.793 -3.764 8.126 1.00 0.00 H new ATOM 0 HG21 THR B 39 -17.486 -5.911 8.302 1.00 0.00 H new ATOM 0 HG22 THR B 39 -16.492 -7.194 7.573 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.932 -6.362 9.043 1.00 0.00 H new ATOM 573 N GLU B 40 -14.251 -4.990 4.514 1.00 0.00 N ATOM 574 CA GLU B 40 -13.830 -4.228 3.296 1.00 0.00 C ATOM 575 C GLU B 40 -13.959 -2.670 3.443 1.00 0.00 C ATOM 576 O GLU B 40 -13.154 -1.905 2.900 1.00 0.00 O ATOM 577 CB GLU B 40 -14.548 -4.825 2.041 1.00 0.00 C ATOM 578 CG GLU B 40 -13.704 -5.123 0.761 1.00 0.00 C ATOM 579 CD GLU B 40 -12.505 -4.217 0.512 1.00 0.00 C ATOM 580 OE1 GLU B 40 -11.448 -4.422 1.144 1.00 0.00 O ATOM 581 OE2 GLU B 40 -12.616 -3.285 -0.311 1.00 0.00 O ATOM 0 H GLU B 40 -15.035 -5.621 4.350 1.00 0.00 H new ATOM 0 HA GLU B 40 -12.757 -4.361 3.159 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -15.025 -5.756 2.346 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -15.344 -4.137 1.758 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -13.348 -6.152 0.819 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -14.364 -5.062 -0.105 1.00 0.00 H new ATOM 588 N GLU B 41 -14.983 -2.198 4.177 1.00 0.00 N ATOM 589 CA GLU B 41 -15.290 -0.739 4.315 1.00 0.00 C ATOM 590 C GLU B 41 -14.136 0.094 4.981 1.00 0.00 C ATOM 591 O GLU B 41 -13.941 1.276 4.678 1.00 0.00 O ATOM 592 CB GLU B 41 -16.690 -0.568 4.993 1.00 0.00 C ATOM 593 CG GLU B 41 -16.788 -0.662 6.549 1.00 0.00 C ATOM 594 CD GLU B 41 -17.962 0.060 7.199 1.00 0.00 C ATOM 595 OE1 GLU B 41 -18.965 0.332 6.508 1.00 0.00 O ATOM 596 OE2 GLU B 41 -17.898 0.337 8.415 1.00 0.00 O ATOM 0 H GLU B 41 -15.624 -2.801 4.692 1.00 0.00 H new ATOM 0 HA GLU B 41 -15.348 -0.302 3.318 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -17.085 0.404 4.695 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -17.354 -1.324 4.574 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -16.840 -1.715 6.825 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.866 -0.266 6.974 1.00 0.00 H new ATOM 603 N ASP B 42 -13.377 -0.525 5.903 1.00 0.00 N ATOM 604 CA ASP B 42 -12.225 0.137 6.595 1.00 0.00 C ATOM 605 C ASP B 42 -10.957 0.260 5.678 1.00 0.00 C ATOM 606 O ASP B 42 -10.295 1.303 5.628 1.00 0.00 O ATOM 607 CB ASP B 42 -11.990 -0.624 7.935 1.00 0.00 C ATOM 608 CG ASP B 42 -12.897 -0.235 9.103 1.00 0.00 C ATOM 609 OD1 ASP B 42 -13.225 0.962 9.228 1.00 0.00 O ATOM 610 OD2 ASP B 42 -13.310 -1.118 9.886 1.00 0.00 O ATOM 0 H ASP B 42 -13.532 -1.489 6.197 1.00 0.00 H new ATOM 0 HA ASP B 42 -12.457 1.177 6.823 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -12.111 -1.691 7.748 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -10.955 -0.469 8.239 1.00 0.00 H new ATOM 615 N ILE B 43 -10.575 -0.839 4.993 1.00 0.00 N ATOM 616 CA ILE B 43 -9.540 -0.800 3.911 1.00 0.00 C ATOM 617 C ILE B 43 -9.955 0.235 2.803 1.00 0.00 C ATOM 618 O ILE B 43 -9.130 1.009 2.307 1.00 0.00 O ATOM 619 CB ILE B 43 -9.232 -2.239 3.321 1.00 0.00 C ATOM 620 CG1 ILE B 43 -8.180 -3.068 4.125 1.00 0.00 C ATOM 621 CG2 ILE B 43 -8.763 -2.180 1.838 1.00 0.00 C ATOM 622 CD1 ILE B 43 -8.279 -2.976 5.661 1.00 0.00 C ATOM 0 H ILE B 43 -10.961 -1.768 5.162 1.00 0.00 H new ATOM 0 HA ILE B 43 -8.601 -0.460 4.349 1.00 0.00 H new ATOM 0 HB ILE B 43 -10.192 -2.749 3.402 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -8.274 -4.115 3.837 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -7.184 -2.743 3.825 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -8.564 -3.190 1.479 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -9.543 -1.725 1.228 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -7.853 -1.584 1.768 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -7.501 -3.591 6.113 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -8.150 -1.939 5.973 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -9.257 -3.333 5.985 1.00 0.00 H new ATOM 634 N GLU B 44 -11.243 0.242 2.414 1.00 0.00 N ATOM 635 CA GLU B 44 -11.796 1.205 1.411 1.00 0.00 C ATOM 636 C GLU B 44 -11.765 2.703 1.885 1.00 0.00 C ATOM 637 O GLU B 44 -11.592 3.627 1.084 1.00 0.00 O ATOM 638 CB GLU B 44 -13.198 0.704 0.932 1.00 0.00 C ATOM 639 CG GLU B 44 -13.293 -0.106 -0.400 1.00 0.00 C ATOM 640 CD GLU B 44 -13.833 0.642 -1.612 1.00 0.00 C ATOM 641 OE1 GLU B 44 -13.580 1.859 -1.729 1.00 0.00 O ATOM 642 OE2 GLU B 44 -14.531 0.026 -2.444 1.00 0.00 O ATOM 0 H GLU B 44 -11.937 -0.412 2.777 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.135 1.219 0.544 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -13.616 0.084 1.726 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -13.845 1.576 0.835 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -12.298 -0.479 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -13.926 -0.976 -0.226 1.00 0.00 H new ATOM 649 N ASP B 45 -11.938 2.940 3.198 1.00 0.00 N ATOM 650 CA ASP B 45 -11.682 4.271 3.834 1.00 0.00 C ATOM 651 C ASP B 45 -10.191 4.739 3.680 1.00 0.00 C ATOM 652 O ASP B 45 -9.913 5.867 3.257 1.00 0.00 O ATOM 653 CB ASP B 45 -12.191 4.188 5.305 1.00 0.00 C ATOM 654 CG ASP B 45 -13.703 4.299 5.507 1.00 0.00 C ATOM 655 OD1 ASP B 45 -14.376 5.026 4.746 1.00 0.00 O ATOM 656 OD2 ASP B 45 -14.225 3.666 6.446 1.00 0.00 O ATOM 0 H ASP B 45 -12.257 2.228 3.855 1.00 0.00 H new ATOM 0 HA ASP B 45 -12.234 5.058 3.320 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -11.858 3.241 5.729 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -11.710 4.981 5.878 1.00 0.00 H new ATOM 661 N LEU B 46 -9.225 3.878 4.049 1.00 0.00 N ATOM 662 CA LEU B 46 -7.769 4.130 3.813 1.00 0.00 C ATOM 663 C LEU B 46 -7.431 4.533 2.334 1.00 0.00 C ATOM 664 O LEU B 46 -6.790 5.555 2.063 1.00 0.00 O ATOM 665 CB LEU B 46 -6.958 2.872 4.280 1.00 0.00 C ATOM 666 CG LEU B 46 -5.413 2.893 4.182 1.00 0.00 C ATOM 667 CD1 LEU B 46 -4.804 1.699 4.931 1.00 0.00 C ATOM 668 CD2 LEU B 46 -4.905 2.895 2.732 1.00 0.00 C ATOM 0 H LEU B 46 -9.417 2.992 4.516 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.477 4.998 4.404 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.219 2.681 5.321 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -7.312 2.019 3.701 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.093 3.826 4.646 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.718 1.734 4.849 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.090 1.744 5.982 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -5.171 0.770 4.495 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -3.815 2.910 2.728 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -5.257 1.998 2.222 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.282 3.778 2.216 1.00 0.00 H new ATOM 680 N MET B 47 -7.861 3.708 1.357 1.00 0.00 N ATOM 681 CA MET B 47 -7.484 3.876 -0.083 1.00 0.00 C ATOM 682 C MET B 47 -8.068 5.199 -0.695 1.00 0.00 C ATOM 683 O MET B 47 -7.337 6.028 -1.248 1.00 0.00 O ATOM 684 CB MET B 47 -7.950 2.630 -0.883 1.00 0.00 C ATOM 685 CG MET B 47 -8.130 2.857 -2.395 1.00 0.00 C ATOM 686 SD MET B 47 -6.589 3.436 -3.120 1.00 0.00 S ATOM 687 CE MET B 47 -6.183 1.971 -4.081 1.00 0.00 C ATOM 0 H MET B 47 -8.474 2.911 1.530 1.00 0.00 H new ATOM 0 HA MET B 47 -6.399 3.961 -0.149 1.00 0.00 H new ATOM 0 HB2 MET B 47 -7.225 1.830 -0.735 1.00 0.00 H new ATOM 0 HB3 MET B 47 -8.896 2.283 -0.468 1.00 0.00 H new ATOM 0 HG2 MET B 47 -8.441 1.929 -2.875 1.00 0.00 H new ATOM 0 HG3 MET B 47 -8.920 3.587 -2.570 1.00 0.00 H new ATOM 0 HE1 MET B 47 -5.730 2.270 -5.026 1.00 0.00 H new ATOM 0 HE2 MET B 47 -5.481 1.352 -3.522 1.00 0.00 H new ATOM 0 HE3 MET B 47 -7.091 1.402 -4.278 1.00 0.00 H new ATOM 697 N LYS B 48 -9.393 5.404 -0.580 1.00 0.00 N ATOM 698 CA LYS B 48 -10.086 6.623 -1.105 1.00 0.00 C ATOM 699 C LYS B 48 -9.488 7.913 -0.435 1.00 0.00 C ATOM 700 O LYS B 48 -9.455 8.990 -1.041 1.00 0.00 O ATOM 701 CB LYS B 48 -11.623 6.418 -0.893 1.00 0.00 C ATOM 702 CG LYS B 48 -12.467 6.005 -2.135 1.00 0.00 C ATOM 703 CD LYS B 48 -11.645 5.526 -3.366 1.00 0.00 C ATOM 704 CE LYS B 48 -12.463 4.925 -4.531 1.00 0.00 C ATOM 705 NZ LYS B 48 -12.299 3.444 -4.568 1.00 0.00 N ATOM 0 H LYS B 48 -10.021 4.741 -0.126 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.924 6.769 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.759 5.657 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.036 7.346 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.149 5.207 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.080 6.854 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.073 6.371 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.925 4.780 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.517 5.178 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.135 5.358 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.854 3.053 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.295 3.209 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.634 3.035 -3.672 1.00 0.00 H new ATOM 719 N ASP B 49 -9.074 7.811 0.847 1.00 0.00 N ATOM 720 CA ASP B 49 -8.476 8.966 1.593 1.00 0.00 C ATOM 721 C ASP B 49 -7.077 9.393 1.017 1.00 0.00 C ATOM 722 O ASP B 49 -6.732 10.579 0.989 1.00 0.00 O ATOM 723 CB ASP B 49 -8.470 8.610 3.111 1.00 0.00 C ATOM 724 CG ASP B 49 -8.227 9.769 4.078 1.00 0.00 C ATOM 725 OD1 ASP B 49 -7.692 10.807 3.639 1.00 0.00 O ATOM 726 OD2 ASP B 49 -8.539 9.646 5.282 1.00 0.00 O ATOM 0 H ASP B 49 -9.138 6.952 1.393 1.00 0.00 H new ATOM 0 HA ASP B 49 -9.085 9.860 1.458 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -9.428 8.153 3.359 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -7.703 7.855 3.282 1.00 0.00 H new ATOM 731 N SER B 50 -6.292 8.426 0.511 1.00 0.00 N ATOM 732 CA SER B 50 -5.052 8.692 -0.283 1.00 0.00 C ATOM 733 C SER B 50 -5.254 8.469 -1.825 1.00 0.00 C ATOM 734 O SER B 50 -4.288 8.313 -2.582 1.00 0.00 O ATOM 735 CB SER B 50 -3.914 7.777 0.264 1.00 0.00 C ATOM 736 OG SER B 50 -4.422 6.594 0.896 1.00 0.00 O ATOM 0 H SER B 50 -6.489 7.433 0.634 1.00 0.00 H new ATOM 0 HA SER B 50 -4.788 9.743 -0.167 1.00 0.00 H new ATOM 0 HB2 SER B 50 -3.254 7.493 -0.555 1.00 0.00 H new ATOM 0 HB3 SER B 50 -3.312 8.338 0.979 1.00 0.00 H new ATOM 0 HG SER B 50 -3.674 6.050 1.222 1.00 0.00 H new ATOM 742 N ASP B 51 -6.512 8.500 -2.300 1.00 0.00 N ATOM 743 CA ASP B 51 -6.839 8.464 -3.761 1.00 0.00 C ATOM 744 C ASP B 51 -6.739 9.878 -4.439 1.00 0.00 C ATOM 745 O ASP B 51 -7.496 10.799 -4.111 1.00 0.00 O ATOM 746 CB ASP B 51 -8.226 7.767 -3.909 1.00 0.00 C ATOM 747 CG ASP B 51 -8.548 7.185 -5.285 1.00 0.00 C ATOM 748 OD1 ASP B 51 -8.747 7.954 -6.251 1.00 0.00 O ATOM 749 OD2 ASP B 51 -8.639 5.947 -5.401 1.00 0.00 O ATOM 0 H ASP B 51 -7.334 8.550 -1.698 1.00 0.00 H new ATOM 0 HA ASP B 51 -6.098 7.882 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -8.285 6.963 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -9.001 8.490 -3.653 1.00 0.00 H new ATOM 754 N LYS B 52 -5.800 10.054 -5.385 1.00 0.00 N ATOM 755 CA LYS B 52 -5.893 11.104 -6.449 1.00 0.00 C ATOM 756 C LYS B 52 -7.188 10.880 -7.311 1.00 0.00 C ATOM 757 O LYS B 52 -8.259 10.555 -6.786 1.00 0.00 O ATOM 758 CB LYS B 52 -4.551 11.083 -7.250 1.00 0.00 C ATOM 759 CG LYS B 52 -3.238 11.339 -6.452 1.00 0.00 C ATOM 760 CD LYS B 52 -1.947 10.755 -7.094 1.00 0.00 C ATOM 761 CE LYS B 52 -1.294 11.616 -8.198 1.00 0.00 C ATOM 762 NZ LYS B 52 -1.834 11.239 -9.537 1.00 0.00 N ATOM 0 H LYS B 52 -4.956 9.484 -5.445 1.00 0.00 H new ATOM 0 HA LYS B 52 -6.006 12.107 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -4.465 10.112 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -4.618 11.832 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -3.110 12.415 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -3.351 10.917 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -1.213 10.593 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -2.184 9.778 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -1.485 12.672 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -0.213 11.480 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -1.386 11.826 -10.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -1.630 10.236 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -2.863 11.392 -9.552 1.00 0.00 H new ATOM 776 N ASN B 53 -7.100 11.106 -8.634 1.00 0.00 N ATOM 777 CA ASN B 53 -8.137 10.654 -9.615 1.00 0.00 C ATOM 778 C ASN B 53 -8.147 9.098 -9.833 1.00 0.00 C ATOM 779 O ASN B 53 -9.162 8.428 -9.614 1.00 0.00 O ATOM 780 CB ASN B 53 -7.911 11.435 -10.948 1.00 0.00 C ATOM 781 CG ASN B 53 -6.471 11.480 -11.465 1.00 0.00 C ATOM 782 OD1 ASN B 53 -6.032 10.603 -12.200 1.00 0.00 O ATOM 783 ND2 ASN B 53 -5.718 12.499 -11.138 1.00 0.00 N ATOM 0 H ASN B 53 -6.319 11.602 -9.064 1.00 0.00 H new ATOM 0 HA ASN B 53 -9.125 10.878 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.539 10.988 -11.719 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -8.258 12.459 -10.809 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.765 12.564 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.084 13.228 -10.526 1.00 0.00 H new ATOM 790 N ASN B 54 -6.998 8.521 -10.228 1.00 0.00 N ATOM 791 CA ASN B 54 -6.767 7.042 -10.213 1.00 0.00 C ATOM 792 C ASN B 54 -7.635 6.264 -11.265 1.00 0.00 C ATOM 793 O ASN B 54 -8.870 6.291 -11.226 1.00 0.00 O ATOM 794 CB ASN B 54 -7.009 6.531 -8.757 1.00 0.00 C ATOM 795 CG ASN B 54 -5.908 6.849 -7.741 1.00 0.00 C ATOM 796 OD1 ASN B 54 -5.037 7.675 -7.986 1.00 0.00 O ATOM 797 ND2 ASN B 54 -5.906 6.213 -6.598 1.00 0.00 N ATOM 0 H ASN B 54 -6.198 9.054 -10.568 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.738 6.845 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -7.944 6.957 -8.394 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -7.143 5.450 -8.790 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -5.179 6.404 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -6.632 5.526 -6.396 1.00 0.00 H new ATOM 804 N ASP B 55 -6.984 5.513 -12.172 1.00 0.00 N ATOM 805 CA ASP B 55 -7.588 4.327 -12.856 1.00 0.00 C ATOM 806 C ASP B 55 -7.441 3.006 -12.016 1.00 0.00 C ATOM 807 O ASP B 55 -7.161 1.930 -12.557 1.00 0.00 O ATOM 808 CB ASP B 55 -6.984 4.259 -14.291 1.00 0.00 C ATOM 809 CG ASP B 55 -7.890 3.685 -15.381 1.00 0.00 C ATOM 810 OD1 ASP B 55 -8.750 4.416 -15.917 1.00 0.00 O ATOM 811 OD2 ASP B 55 -7.733 2.495 -15.718 1.00 0.00 O ATOM 0 H ASP B 55 -6.024 5.701 -12.460 1.00 0.00 H new ATOM 0 HA ASP B 55 -8.669 4.438 -12.942 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -6.689 5.266 -14.586 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -6.075 3.660 -14.251 1.00 0.00 H new ATOM 816 N GLY B 56 -7.696 3.080 -10.698 1.00 0.00 N ATOM 817 CA GLY B 56 -8.082 1.898 -9.862 1.00 0.00 C ATOM 818 C GLY B 56 -6.941 1.319 -8.949 1.00 0.00 C ATOM 819 O GLY B 56 -7.180 0.447 -8.104 1.00 0.00 O ATOM 0 H GLY B 56 -7.644 3.952 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.923 2.181 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -8.433 1.106 -10.523 1.00 0.00 H new ATOM 823 N ARG B 57 -5.692 1.779 -9.139 1.00 0.00 N ATOM 824 CA ARG B 57 -4.464 1.021 -8.744 1.00 0.00 C ATOM 825 C ARG B 57 -3.285 1.929 -8.237 1.00 0.00 C ATOM 826 O ARG B 57 -3.196 3.114 -8.578 1.00 0.00 O ATOM 827 CB ARG B 57 -4.045 0.139 -9.956 1.00 0.00 C ATOM 828 CG ARG B 57 -3.687 0.945 -11.228 1.00 0.00 C ATOM 829 CD ARG B 57 -3.666 0.083 -12.499 1.00 0.00 C ATOM 830 NE ARG B 57 -3.254 -1.289 -12.089 1.00 0.00 N ATOM 831 CZ ARG B 57 -4.003 -2.377 -12.048 1.00 0.00 C ATOM 832 NH1 ARG B 57 -5.280 -2.376 -12.283 1.00 0.00 N ATOM 833 NH2 ARG B 57 -3.439 -3.500 -11.759 1.00 0.00 N ATOM 0 H ARG B 57 -5.492 2.682 -9.568 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.702 0.400 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.187 -0.469 -9.670 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -4.858 -0.548 -10.191 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -4.409 1.752 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -2.710 1.409 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -4.649 0.066 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -2.970 0.492 -13.231 1.00 0.00 H new ATOM 0 HE ARG B 57 -2.280 -1.402 -11.807 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -5.755 -1.504 -12.514 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -5.808 -3.248 -12.237 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -2.437 -3.534 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -3.994 -4.355 -11.721 1.00 0.00 H new ATOM 847 N ILE B 58 -2.405 1.380 -7.381 1.00 0.00 N ATOM 848 CA ILE B 58 -1.423 2.170 -6.571 1.00 0.00 C ATOM 849 C ILE B 58 0.035 1.929 -7.097 1.00 0.00 C ATOM 850 O ILE B 58 0.448 0.791 -7.351 1.00 0.00 O ATOM 851 CB ILE B 58 -1.581 1.877 -5.020 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.880 2.480 -4.391 1.00 0.00 C ATOM 853 CG2 ILE B 58 -0.361 2.367 -4.187 1.00 0.00 C ATOM 854 CD1 ILE B 58 -3.088 2.227 -2.886 1.00 0.00 C ATOM 0 H ILE B 58 -2.344 0.374 -7.221 1.00 0.00 H new ATOM 0 HA ILE B 58 -1.637 3.232 -6.696 1.00 0.00 H new ATOM 0 HB ILE B 58 -1.646 0.790 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.874 3.557 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -3.739 2.078 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -0.525 2.140 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE B 58 0.541 1.861 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -0.244 3.443 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -4.020 2.692 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -3.135 1.154 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -2.257 2.656 -2.327 1.00 0.00 H new ATOM 866 N ASP B 59 0.847 3.000 -7.199 1.00 0.00 N ATOM 867 CA ASP B 59 2.285 2.922 -7.612 1.00 0.00 C ATOM 868 C ASP B 59 3.274 3.283 -6.447 1.00 0.00 C ATOM 869 O ASP B 59 2.858 3.648 -5.342 1.00 0.00 O ATOM 870 CB ASP B 59 2.447 3.794 -8.895 1.00 0.00 C ATOM 871 CG ASP B 59 2.140 5.283 -8.744 1.00 0.00 C ATOM 872 OD1 ASP B 59 3.005 6.047 -8.262 1.00 0.00 O ATOM 873 OD2 ASP B 59 1.037 5.707 -9.142 1.00 0.00 O ATOM 0 H ASP B 59 0.535 3.950 -7.000 1.00 0.00 H new ATOM 0 HA ASP B 59 2.561 1.895 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.472 3.690 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP B 59 1.797 3.387 -9.670 1.00 0.00 H new ATOM 878 N PHE B 60 4.594 3.209 -6.704 1.00 0.00 N ATOM 879 CA PHE B 60 5.650 3.224 -5.641 1.00 0.00 C ATOM 880 C PHE B 60 5.563 4.509 -4.743 1.00 0.00 C ATOM 881 O PHE B 60 5.765 4.467 -3.524 1.00 0.00 O ATOM 882 CB PHE B 60 7.059 3.082 -6.303 1.00 0.00 C ATOM 883 CG PHE B 60 8.250 2.693 -5.394 1.00 0.00 C ATOM 884 CD1 PHE B 60 8.011 1.985 -4.213 1.00 0.00 C ATOM 885 CD2 PHE B 60 9.567 3.003 -5.750 1.00 0.00 C ATOM 886 CE1 PHE B 60 9.069 1.610 -3.389 1.00 0.00 C ATOM 887 CE2 PHE B 60 10.625 2.639 -4.917 1.00 0.00 C ATOM 888 CZ PHE B 60 10.373 1.950 -3.734 1.00 0.00 C ATOM 0 H PHE B 60 4.971 3.137 -7.649 1.00 0.00 H new ATOM 0 HA PHE B 60 5.483 2.375 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE B 60 6.984 2.335 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.300 4.031 -6.783 1.00 0.00 H new ATOM 0 HD1 PHE B 60 6.999 1.727 -3.938 1.00 0.00 H new ATOM 0 HD2 PHE B 60 9.765 3.526 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE B 60 8.877 1.055 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE B 60 11.639 2.892 -5.190 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.191 1.679 -3.083 1.00 0.00 H new ATOM 898 N ASP B 61 5.176 5.654 -5.334 1.00 0.00 N ATOM 899 CA ASP B 61 4.861 6.907 -4.585 1.00 0.00 C ATOM 900 C ASP B 61 3.880 6.627 -3.377 1.00 0.00 C ATOM 901 O ASP B 61 4.226 6.495 -2.204 1.00 0.00 O ATOM 902 CB ASP B 61 4.220 7.913 -5.597 1.00 0.00 C ATOM 903 CG ASP B 61 3.229 8.954 -5.035 1.00 0.00 C ATOM 904 OD1 ASP B 61 3.653 9.767 -4.191 1.00 0.00 O ATOM 905 OD2 ASP B 61 2.048 8.951 -5.439 1.00 0.00 O ATOM 0 H ASP B 61 5.070 5.748 -6.344 1.00 0.00 H new ATOM 0 HA ASP B 61 5.773 7.322 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP B 61 5.027 8.451 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.703 7.336 -6.363 1.00 0.00 H new ATOM 910 N GLU B 62 2.554 6.609 -3.730 1.00 0.00 N ATOM 911 CA GLU B 62 1.434 6.120 -2.876 1.00 0.00 C ATOM 912 C GLU B 62 1.871 5.069 -1.796 1.00 0.00 C ATOM 913 O GLU B 62 1.333 5.062 -0.675 1.00 0.00 O ATOM 914 CB GLU B 62 0.240 5.658 -3.780 1.00 0.00 C ATOM 915 CG GLU B 62 -0.100 6.492 -5.055 1.00 0.00 C ATOM 916 CD GLU B 62 -1.528 6.388 -5.577 1.00 0.00 C ATOM 917 OE1 GLU B 62 -2.459 6.217 -4.764 1.00 0.00 O ATOM 918 OE2 GLU B 62 -1.732 6.519 -6.801 1.00 0.00 O ATOM 0 H GLU B 62 2.234 6.943 -4.639 1.00 0.00 H new ATOM 0 HA GLU B 62 1.082 6.955 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU B 62 0.442 4.635 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -0.654 5.627 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU B 62 0.110 7.540 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.577 6.187 -5.853 1.00 0.00 H new ATOM 925 N PHE B 63 2.832 4.181 -2.115 1.00 0.00 N ATOM 926 CA PHE B 63 3.421 3.239 -1.105 1.00 0.00 C ATOM 927 C PHE B 63 4.130 4.007 0.069 1.00 0.00 C ATOM 928 O PHE B 63 3.785 3.846 1.244 1.00 0.00 O ATOM 929 CB PHE B 63 4.401 2.248 -1.812 1.00 0.00 C ATOM 930 CG PHE B 63 4.871 1.007 -1.014 1.00 0.00 C ATOM 931 CD1 PHE B 63 4.596 0.866 0.355 1.00 0.00 C ATOM 932 CD2 PHE B 63 5.621 0.008 -1.651 1.00 0.00 C ATOM 933 CE1 PHE B 63 5.188 -0.160 1.094 1.00 0.00 C ATOM 934 CE2 PHE B 63 6.224 -1.008 -0.911 1.00 0.00 C ATOM 935 CZ PHE B 63 6.030 -1.074 0.466 1.00 0.00 C ATOM 0 H PHE B 63 3.224 4.085 -3.052 1.00 0.00 H new ATOM 0 HA PHE B 63 2.608 2.668 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE B 63 3.921 1.897 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.286 2.809 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE B 63 3.922 1.556 0.840 1.00 0.00 H new ATOM 0 HD2 PHE B 63 5.733 0.026 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE B 63 4.993 -0.245 2.153 1.00 0.00 H new ATOM 0 HE2 PHE B 63 6.841 -1.743 -1.406 1.00 0.00 H new ATOM 0 HZ PHE B 63 6.532 -1.834 1.047 1.00 0.00 H new ATOM 945 N LEU B 64 5.125 4.849 -0.264 1.00 0.00 N ATOM 946 CA LEU B 64 5.876 5.690 0.720 1.00 0.00 C ATOM 947 C LEU B 64 4.915 6.615 1.550 1.00 0.00 C ATOM 948 O LEU B 64 5.256 7.082 2.642 1.00 0.00 O ATOM 949 CB LEU B 64 6.980 6.502 -0.029 1.00 0.00 C ATOM 950 CG LEU B 64 8.245 5.733 -0.499 1.00 0.00 C ATOM 951 CD1 LEU B 64 8.947 6.503 -1.629 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.252 5.481 0.636 1.00 0.00 C ATOM 0 H LEU B 64 5.442 4.975 -1.225 1.00 0.00 H new ATOM 0 HA LEU B 64 6.361 5.038 1.446 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.522 6.962 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.303 7.312 0.625 1.00 0.00 H new ATOM 0 HG LEU B 64 7.899 4.763 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.832 5.953 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.265 6.615 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.243 7.488 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.114 4.940 0.245 1.00 0.00 H new ATOM 0 HD22 LEU B 64 9.580 6.435 1.050 1.00 0.00 H new ATOM 0 HD23 LEU B 64 8.777 4.889 1.419 1.00 0.00 H new ATOM 964 N LYS B 65 3.697 6.865 1.035 1.00 0.00 N ATOM 965 CA LYS B 65 2.611 7.564 1.794 1.00 0.00 C ATOM 966 C LYS B 65 1.856 6.528 2.703 1.00 0.00 C ATOM 967 O LYS B 65 1.700 6.729 3.912 1.00 0.00 O ATOM 968 CB LYS B 65 1.783 8.268 0.670 1.00 0.00 C ATOM 969 CG LYS B 65 1.576 9.801 0.745 1.00 0.00 C ATOM 970 CD LYS B 65 0.092 10.113 1.067 1.00 0.00 C ATOM 971 CE LYS B 65 -0.515 9.409 2.291 1.00 0.00 C ATOM 972 NZ LYS B 65 -0.425 10.337 3.465 1.00 0.00 N ATOM 0 H LYS B 65 3.426 6.596 0.089 1.00 0.00 H new ATOM 0 HA LYS B 65 2.929 8.317 2.515 1.00 0.00 H new ATOM 0 HB2 LYS B 65 2.264 8.046 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS B 65 0.798 7.803 0.645 1.00 0.00 H new ATOM 0 HG2 LYS B 65 2.222 10.228 1.512 1.00 0.00 H new ATOM 0 HG3 LYS B 65 1.858 10.262 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -0.005 11.189 1.211 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -0.507 9.853 0.194 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -1.554 9.142 2.098 1.00 0.00 H new ATOM 0 HE3 LYS B 65 0.019 8.482 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -0.737 9.841 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 0.559 10.651 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -1.034 11.164 3.301 1.00 0.00 H new ATOM 986 N MET B 66 1.328 5.446 2.102 1.00 0.00 N ATOM 987 CA MET B 66 0.678 4.326 2.854 1.00 0.00 C ATOM 988 C MET B 66 1.479 3.842 4.116 1.00 0.00 C ATOM 989 O MET B 66 0.899 3.485 5.147 1.00 0.00 O ATOM 990 CB MET B 66 0.444 3.150 1.859 1.00 0.00 C ATOM 991 CG MET B 66 0.108 1.783 2.497 1.00 0.00 C ATOM 992 SD MET B 66 0.963 0.461 1.624 1.00 0.00 S ATOM 993 CE MET B 66 0.571 0.960 -0.061 1.00 0.00 C ATOM 0 H MET B 66 1.333 5.312 1.091 1.00 0.00 H new ATOM 0 HA MET B 66 -0.264 4.700 3.255 1.00 0.00 H new ATOM 0 HB2 MET B 66 -0.369 3.425 1.186 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.339 3.034 1.247 1.00 0.00 H new ATOM 0 HG2 MET B 66 0.399 1.783 3.547 1.00 0.00 H new ATOM 0 HG3 MET B 66 -0.968 1.613 2.465 1.00 0.00 H new ATOM 0 HE1 MET B 66 1.432 0.778 -0.704 1.00 0.00 H new ATOM 0 HE2 MET B 66 -0.280 0.383 -0.423 1.00 0.00 H new ATOM 0 HE3 MET B 66 0.323 2.021 -0.078 1.00 0.00 H new ATOM 1003 N MET B 67 2.819 3.775 4.010 1.00 0.00 N ATOM 1004 CA MET B 67 3.735 3.710 5.192 1.00 0.00 C ATOM 1005 C MET B 67 3.855 5.119 5.876 1.00 0.00 C ATOM 1006 O MET B 67 3.010 5.511 6.689 1.00 0.00 O ATOM 1007 CB MET B 67 5.139 3.202 4.753 1.00 0.00 C ATOM 1008 CG MET B 67 5.303 1.669 4.693 1.00 0.00 C ATOM 1009 SD MET B 67 5.877 1.060 6.289 1.00 0.00 S ATOM 1010 CE MET B 67 7.107 -0.129 5.727 1.00 0.00 C ATOM 0 H MET B 67 3.307 3.764 3.114 1.00 0.00 H new ATOM 0 HA MET B 67 3.318 3.011 5.917 1.00 0.00 H new ATOM 0 HB2 MET B 67 5.363 3.612 3.768 1.00 0.00 H new ATOM 0 HB3 MET B 67 5.883 3.603 5.442 1.00 0.00 H new ATOM 0 HG2 MET B 67 4.353 1.201 4.434 1.00 0.00 H new ATOM 0 HG3 MET B 67 6.014 1.399 3.912 1.00 0.00 H new ATOM 0 HE1 MET B 67 7.570 -0.608 6.589 1.00 0.00 H new ATOM 0 HE2 MET B 67 6.625 -0.885 5.107 1.00 0.00 H new ATOM 0 HE3 MET B 67 7.871 0.386 5.144 1.00 0.00 H new ATOM 1020 N GLU B 68 4.928 5.870 5.569 1.00 0.00 N ATOM 1021 CA GLU B 68 5.381 7.046 6.376 1.00 0.00 C ATOM 1022 C GLU B 68 4.500 8.331 6.184 1.00 0.00 C ATOM 1023 O GLU B 68 4.794 9.396 6.744 1.00 0.00 O ATOM 1024 CB GLU B 68 6.913 7.269 6.146 1.00 0.00 C ATOM 1025 CG GLU B 68 7.458 7.298 4.683 1.00 0.00 C ATOM 1026 CD GLU B 68 8.965 7.455 4.524 1.00 0.00 C ATOM 1027 OE1 GLU B 68 9.692 6.449 4.652 1.00 0.00 O ATOM 1028 OE2 GLU B 68 9.436 8.588 4.296 1.00 0.00 O ATOM 0 H GLU B 68 5.515 5.688 4.755 1.00 0.00 H new ATOM 0 HA GLU B 68 5.231 6.817 7.431 1.00 0.00 H new ATOM 0 HB2 GLU B 68 7.183 8.214 6.618 1.00 0.00 H new ATOM 0 HB3 GLU B 68 7.445 6.482 6.681 1.00 0.00 H new ATOM 0 HG2 GLU B 68 7.157 6.375 4.188 1.00 0.00 H new ATOM 0 HG3 GLU B 68 6.972 8.117 4.153 1.00 0.00 H new ATOM 1035 N GLY B 69 3.427 8.246 5.377 1.00 0.00 N ATOM 1036 CA GLY B 69 2.441 9.363 5.203 1.00 0.00 C ATOM 1037 C GLY B 69 1.797 9.897 6.533 1.00 0.00 C ATOM 1038 O GLY B 69 1.054 9.184 7.216 1.00 0.00 O ATOM 0 H GLY B 69 3.208 7.416 4.826 1.00 0.00 H new ATOM 0 HA2 GLY B 69 2.940 10.192 4.701 1.00 0.00 H new ATOM 0 HA3 GLY B 69 1.643 9.023 4.542 1.00 0.00 H new ATOM 1042 N VAL B 70 2.131 11.138 6.930 1.00 0.00 N ATOM 1043 CA VAL B 70 1.440 11.860 8.043 1.00 0.00 C ATOM 1044 C VAL B 70 -0.006 12.246 7.565 1.00 0.00 C ATOM 1045 O VAL B 70 -0.216 12.635 6.411 1.00 0.00 O ATOM 1046 CB VAL B 70 2.292 13.084 8.544 1.00 0.00 C ATOM 1047 CG1 VAL B 70 1.559 13.956 9.594 1.00 0.00 C ATOM 1048 CG2 VAL B 70 3.641 12.676 9.186 1.00 0.00 C ATOM 0 H VAL B 70 2.882 11.677 6.499 1.00 0.00 H new ATOM 0 HA VAL B 70 1.341 11.214 8.915 1.00 0.00 H new ATOM 0 HB VAL B 70 2.462 13.650 7.628 1.00 0.00 H new ATOM 0 HG11 VAL B 70 2.204 14.781 9.896 1.00 0.00 H new ATOM 0 HG12 VAL B 70 0.641 14.352 9.161 1.00 0.00 H new ATOM 0 HG13 VAL B 70 1.316 13.348 10.466 1.00 0.00 H new ATOM 0 HG21 VAL B 70 4.176 13.570 9.508 1.00 0.00 H new ATOM 0 HG22 VAL B 70 3.455 12.034 10.047 1.00 0.00 H new ATOM 0 HG23 VAL B 70 4.243 12.137 8.455 1.00 0.00 H new ATOM 1058 N GLN B 71 -1.011 12.101 8.445 1.00 0.00 N ATOM 1059 CA GLN B 71 -2.389 12.644 8.235 1.00 0.00 C ATOM 1060 C GLN B 71 -2.425 14.211 8.344 1.00 0.00 C ATOM 1061 O GLN B 71 -2.307 14.927 7.344 1.00 0.00 O ATOM 1062 CB GLN B 71 -3.343 11.902 9.212 1.00 0.00 C ATOM 1063 CG GLN B 71 -4.804 12.440 9.209 1.00 0.00 C ATOM 1064 CD GLN B 71 -5.887 11.467 8.737 1.00 0.00 C ATOM 1065 OE1 GLN B 71 -6.441 10.682 9.497 1.00 0.00 O ATOM 1066 NE2 GLN B 71 -6.226 11.481 7.474 1.00 0.00 N ATOM 0 H GLN B 71 -0.903 11.604 9.329 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.734 12.454 7.219 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.357 10.843 8.954 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.942 11.979 10.222 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -5.051 12.762 10.221 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -4.841 13.326 8.575 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -5.772 12.130 6.831 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -6.944 10.843 7.132 1.00 0.00 H new HETATM 1075 N NH2 B 72 -2.614 14.744 9.565 1.00 0.00 N TER 1078 NH2 B 72