USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 72 TYR OH : rot -102:sc= 0.0686 USER MOD Set 1.2: A 76 ASN : amide:sc= -2.95! K(o=-2.9!,f=-0.57) USER MOD Set 2.1: A 71 ASN : amide:sc= 1.42 K(o=2.1,f=-2.8) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -139:sc= 0.641 (180deg=0) USER MOD Set 3.1: A 52 SER OG : rot 36:sc= 1.13 USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.337 K(o=1.5,f=-4.5!) USER MOD Set 4.1: A 38 ASN : amide:sc= 1.06 K(o=2.3,f=-0.47) USER MOD Set 4.2: A 51 TYR OH : rot -166:sc= 1.22 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 0.941 (180deg=0.387) USER MOD Single : A 18 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.44) USER MOD Single : A 19 THR OG1 : rot 29:sc= -0.275 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.2 K(o=1.2,f=-0.23) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 32 GLN : amide:sc= -0.812 K(o=-0.81,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= 0.985 (180deg=0.383) USER MOD Single : A 45 TYR OH : rot 67:sc= 1.22 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.93) USER MOD Single : A 66 THR OG1 : rot -62:sc= 1.15 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.329 (180deg=0.236) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 78:sc= 0.223 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -11.649 1.838 1.857 1.00 0.00 N ATOM 2 CA LYS A 5 -11.416 2.879 0.876 1.00 0.00 C ATOM 3 C LYS A 5 -9.921 3.149 0.735 1.00 0.00 C ATOM 4 O LYS A 5 -9.413 3.350 -0.369 1.00 0.00 O ATOM 5 CB LYS A 5 -12.144 4.160 1.296 1.00 0.00 C ATOM 6 CG LYS A 5 -13.657 4.012 1.373 1.00 0.00 C ATOM 7 CD LYS A 5 -14.321 5.315 1.795 1.00 0.00 C ATOM 8 CE LYS A 5 -15.841 5.196 1.816 1.00 0.00 C ATOM 9 NZ LYS A 5 -16.483 6.441 2.314 1.00 0.00 N ATOM 0 HA LYS A 5 -11.802 2.548 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.770 4.477 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.902 4.953 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.044 3.702 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.912 3.225 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.965 5.600 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.028 6.111 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.203 4.977 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.132 4.358 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.516 6.323 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.157 6.637 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.226 7.236 1.695 1.00 0.00 H new ATOM 23 N LEU A 6 -9.214 3.117 1.860 1.00 0.00 N ATOM 24 CA LEU A 6 -7.782 3.394 1.873 1.00 0.00 C ATOM 25 C LEU A 6 -6.999 2.242 1.263 1.00 0.00 C ATOM 26 O LEU A 6 -5.920 2.440 0.711 1.00 0.00 O ATOM 27 CB LEU A 6 -7.290 3.671 3.298 1.00 0.00 C ATOM 28 CG LEU A 6 -7.317 5.141 3.737 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.727 5.706 3.679 1.00 0.00 C ATOM 30 CD2 LEU A 6 -6.742 5.286 5.139 1.00 0.00 C ATOM 0 H LEU A 6 -9.610 2.902 2.775 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.612 4.285 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.900 3.092 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.268 3.303 3.388 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.699 5.711 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.714 6.749 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.103 5.641 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.376 5.133 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.768 6.334 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.334 4.696 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.711 4.932 5.148 1.00 0.00 H new ATOM 42 N ARG A 7 -7.558 1.040 1.337 1.00 0.00 N ATOM 43 CA ARG A 7 -6.898 -0.139 0.781 1.00 0.00 C ATOM 44 C ARG A 7 -6.881 -0.078 -0.743 1.00 0.00 C ATOM 45 O ARG A 7 -6.195 -0.858 -1.398 1.00 0.00 O ATOM 46 CB ARG A 7 -7.575 -1.418 1.270 1.00 0.00 C ATOM 47 CG ARG A 7 -7.449 -1.624 2.769 1.00 0.00 C ATOM 48 CD ARG A 7 -8.153 -2.888 3.231 1.00 0.00 C ATOM 49 NE ARG A 7 -8.180 -2.989 4.691 1.00 0.00 N ATOM 50 CZ ARG A 7 -8.926 -3.860 5.369 1.00 0.00 C ATOM 51 NH1 ARG A 7 -9.695 -4.731 4.727 1.00 0.00 N ATOM 52 NH2 ARG A 7 -8.893 -3.857 6.694 1.00 0.00 N ATOM 0 H ARG A 7 -8.461 0.855 1.773 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.865 -0.150 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.631 -1.389 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.138 -2.273 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.395 -1.677 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.870 -0.764 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.173 -2.898 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.647 -3.759 2.815 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.589 -2.351 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.718 -4.737 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.263 -5.395 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.299 -3.191 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.461 -4.521 7.220 1.00 0.00 H new ATOM 66 N TYR A 8 -7.645 0.849 -1.297 1.00 0.00 N ATOM 67 CA TYR A 8 -7.590 1.137 -2.719 1.00 0.00 C ATOM 68 C TYR A 8 -6.744 2.383 -2.958 1.00 0.00 C ATOM 69 O TYR A 8 -5.881 2.402 -3.833 1.00 0.00 O ATOM 70 CB TYR A 8 -9.002 1.335 -3.280 1.00 0.00 C ATOM 71 CG TYR A 8 -9.039 1.905 -4.683 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.686 1.135 -5.785 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.423 3.221 -4.900 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.717 1.664 -7.064 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.455 3.755 -6.171 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.101 2.976 -7.249 1.00 0.00 C ATOM 77 OH TYR A 8 -9.134 3.516 -8.517 1.00 0.00 O ATOM 0 H TYR A 8 -8.315 1.418 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.133 0.292 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.520 0.376 -3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.555 1.999 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.383 0.108 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.702 3.838 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.442 1.053 -7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.757 4.781 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.428 4.450 -8.467 1.00 0.00 H new ATOM 87 N ALA A 9 -6.995 3.415 -2.159 1.00 0.00 N ATOM 88 CA ALA A 9 -6.313 4.695 -2.310 1.00 0.00 C ATOM 89 C ALA A 9 -4.801 4.557 -2.143 1.00 0.00 C ATOM 90 O ALA A 9 -4.035 5.045 -2.974 1.00 0.00 O ATOM 91 CB ALA A 9 -6.866 5.705 -1.318 1.00 0.00 C ATOM 0 H ALA A 9 -7.671 3.389 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.498 5.051 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.349 6.656 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.932 5.846 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.715 5.338 -0.303 1.00 0.00 H new ATOM 97 N ILE A 10 -4.373 3.879 -1.083 1.00 0.00 N ATOM 98 CA ILE A 10 -2.949 3.720 -0.803 1.00 0.00 C ATOM 99 C ILE A 10 -2.261 2.938 -1.918 1.00 0.00 C ATOM 100 O ILE A 10 -1.221 3.353 -2.427 1.00 0.00 O ATOM 101 CB ILE A 10 -2.706 3.010 0.549 1.00 0.00 C ATOM 102 CG1 ILE A 10 -3.325 3.820 1.692 1.00 0.00 C ATOM 103 CG2 ILE A 10 -1.214 2.813 0.789 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.194 3.161 3.050 1.00 0.00 C ATOM 0 H ILE A 10 -4.990 3.432 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.523 4.722 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.183 2.030 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.851 4.801 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.381 3.984 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.062 2.312 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.794 2.203 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.717 3.783 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.656 3.794 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.693 2.192 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.139 3.022 3.287 1.00 0.00 H new ATOM 116 N LEU A 11 -2.859 1.818 -2.312 1.00 0.00 N ATOM 117 CA LEU A 11 -2.299 0.994 -3.377 1.00 0.00 C ATOM 118 C LEU A 11 -2.293 1.747 -4.703 1.00 0.00 C ATOM 119 O LEU A 11 -1.401 1.556 -5.523 1.00 0.00 O ATOM 120 CB LEU A 11 -3.065 -0.325 -3.534 1.00 0.00 C ATOM 121 CG LEU A 11 -2.655 -1.449 -2.577 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.051 -1.124 -1.148 1.00 0.00 C ATOM 123 CD2 LEU A 11 -3.274 -2.770 -3.012 1.00 0.00 C ATOM 0 H LEU A 11 -3.727 1.462 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.272 0.762 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.128 -0.125 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.937 -0.679 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.570 -1.542 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.747 -1.940 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.559 -0.203 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.132 -0.995 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.973 -3.558 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.360 -2.681 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.933 -3.018 -4.017 1.00 0.00 H new ATOM 135 N LYS A 12 -3.285 2.609 -4.906 1.00 0.00 N ATOM 136 CA LYS A 12 -3.347 3.417 -6.114 1.00 0.00 C ATOM 137 C LYS A 12 -2.167 4.385 -6.152 1.00 0.00 C ATOM 138 O LYS A 12 -1.510 4.536 -7.181 1.00 0.00 O ATOM 139 CB LYS A 12 -4.662 4.197 -6.185 1.00 0.00 C ATOM 140 CG LYS A 12 -4.954 4.756 -7.568 1.00 0.00 C ATOM 141 CD LYS A 12 -5.466 6.184 -7.500 1.00 0.00 C ATOM 142 CE LYS A 12 -4.388 7.133 -7.002 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.857 8.540 -6.940 1.00 0.00 N ATOM 0 H LYS A 12 -4.052 2.764 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.298 2.750 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.481 3.544 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.629 5.018 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.048 4.723 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.693 4.128 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.803 6.499 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.330 6.232 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.060 6.818 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.521 7.071 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.320 9.053 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.712 8.995 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.869 8.558 -6.700 1.00 0.00 H new ATOM 157 N GLU A 13 -1.897 5.026 -5.016 1.00 0.00 N ATOM 158 CA GLU A 13 -0.760 5.937 -4.899 1.00 0.00 C ATOM 159 C GLU A 13 0.549 5.189 -5.128 1.00 0.00 C ATOM 160 O GLU A 13 1.453 5.689 -5.792 1.00 0.00 O ATOM 161 CB GLU A 13 -0.734 6.613 -3.525 1.00 0.00 C ATOM 162 CG GLU A 13 -1.904 7.554 -3.272 1.00 0.00 C ATOM 163 CD GLU A 13 -1.947 8.722 -4.239 1.00 0.00 C ATOM 164 OE1 GLU A 13 -0.992 9.525 -4.262 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.941 8.849 -4.980 1.00 0.00 O ATOM 0 H GLU A 13 -2.450 4.931 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.872 6.707 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.728 5.843 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.196 7.172 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.836 6.994 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.842 7.936 -2.253 1.00 0.00 H new ATOM 172 N ILE A 14 0.640 3.982 -4.578 1.00 0.00 N ATOM 173 CA ILE A 14 1.810 3.134 -4.776 1.00 0.00 C ATOM 174 C ILE A 14 1.943 2.737 -6.248 1.00 0.00 C ATOM 175 O ILE A 14 3.040 2.706 -6.799 1.00 0.00 O ATOM 176 CB ILE A 14 1.736 1.863 -3.895 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.738 2.250 -2.413 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.890 0.915 -4.203 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.583 1.074 -1.472 1.00 0.00 C ATOM 0 H ILE A 14 -0.084 3.569 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 14 2.688 3.708 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 14 0.806 1.342 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.670 2.766 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.929 2.957 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.813 0.031 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.846 0.616 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.837 1.419 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.594 1.429 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.638 0.570 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.406 0.376 -1.624 1.00 0.00 H new ATOM 191 N PHE A 15 0.810 2.460 -6.879 1.00 0.00 N ATOM 192 CA PHE A 15 0.786 2.041 -8.274 1.00 0.00 C ATOM 193 C PHE A 15 1.198 3.189 -9.194 1.00 0.00 C ATOM 194 O PHE A 15 2.078 3.027 -10.043 1.00 0.00 O ATOM 195 CB PHE A 15 -0.622 1.555 -8.640 1.00 0.00 C ATOM 196 CG PHE A 15 -0.705 0.789 -9.933 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.631 1.437 -11.156 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.870 -0.586 -9.921 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.719 0.729 -12.338 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.958 -1.300 -11.101 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.881 -0.641 -12.312 1.00 0.00 C ATOM 0 H PHE A 15 -0.110 2.519 -6.443 1.00 0.00 H new ATOM 0 HA PHE A 15 1.498 1.227 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.995 0.923 -7.834 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.285 2.418 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.503 2.509 -11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.931 -1.107 -8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.661 1.248 -13.283 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.087 -2.372 -11.076 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.947 -1.196 -13.236 1.00 0.00 H new ATOM 211 N GLU A 16 0.578 4.351 -9.009 1.00 0.00 N ATOM 212 CA GLU A 16 0.803 5.493 -9.893 1.00 0.00 C ATOM 213 C GLU A 16 2.090 6.229 -9.544 1.00 0.00 C ATOM 214 O GLU A 16 2.843 6.627 -10.427 1.00 0.00 O ATOM 215 CB GLU A 16 -0.368 6.471 -9.812 1.00 0.00 C ATOM 216 CG GLU A 16 -1.710 5.877 -10.211 1.00 0.00 C ATOM 217 CD GLU A 16 -1.723 5.358 -11.635 1.00 0.00 C ATOM 218 OE1 GLU A 16 -1.462 6.147 -12.564 1.00 0.00 O ATOM 219 OE2 GLU A 16 -2.008 4.158 -11.829 1.00 0.00 O ATOM 0 H GLU A 16 -0.085 4.528 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 16 0.889 5.102 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.440 6.849 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.157 7.326 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.959 5.063 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.485 6.635 -10.098 1.00 0.00 H new ATOM 226 N GLY A 17 2.351 6.391 -8.255 1.00 0.00 N ATOM 227 CA GLY A 17 3.505 7.159 -7.827 1.00 0.00 C ATOM 228 C GLY A 17 4.762 6.322 -7.753 1.00 0.00 C ATOM 229 O GLY A 17 5.871 6.859 -7.729 1.00 0.00 O ATOM 0 H GLY A 17 1.786 6.006 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.664 7.987 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.305 7.595 -6.848 1.00 0.00 H new ATOM 233 N ASN A 18 4.578 5.001 -7.701 1.00 0.00 N ATOM 234 CA ASN A 18 5.686 4.044 -7.641 1.00 0.00 C ATOM 235 C ASN A 18 6.505 4.251 -6.363 1.00 0.00 C ATOM 236 O ASN A 18 7.674 3.875 -6.288 1.00 0.00 O ATOM 237 CB ASN A 18 6.563 4.165 -8.897 1.00 0.00 C ATOM 238 CG ASN A 18 7.451 2.953 -9.122 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.603 2.920 -8.696 1.00 0.00 O ATOM 240 ND2 ASN A 18 6.917 1.947 -9.799 1.00 0.00 N ATOM 0 H ASN A 18 3.656 4.564 -7.699 1.00 0.00 H new ATOM 0 HA ASN A 18 5.279 3.033 -7.613 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.923 4.306 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.187 5.055 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.466 1.107 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.957 2.012 -10.136 1.00 0.00 H new ATOM 247 N THR A 19 5.848 4.830 -5.347 1.00 0.00 N ATOM 248 CA THR A 19 6.441 5.090 -4.026 1.00 0.00 C ATOM 249 C THR A 19 7.743 5.914 -4.095 1.00 0.00 C ATOM 250 O THR A 19 8.244 6.224 -5.174 1.00 0.00 O ATOM 251 CB THR A 19 6.665 3.780 -3.220 1.00 0.00 C ATOM 252 OG1 THR A 19 7.235 2.750 -4.030 1.00 0.00 O ATOM 253 CG2 THR A 19 5.358 3.285 -2.624 1.00 0.00 C ATOM 0 H THR A 19 4.877 5.135 -5.420 1.00 0.00 H new ATOM 0 HA THR A 19 5.708 5.698 -3.495 1.00 0.00 H new ATOM 0 HB THR A 19 7.365 4.016 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.783 3.154 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.538 2.367 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.952 4.044 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.645 3.088 -3.424 1.00 0.00 H new ATOM 261 N PRO A 20 8.280 6.350 -2.935 1.00 0.00 N ATOM 262 CA PRO A 20 7.655 6.158 -1.625 1.00 0.00 C ATOM 263 C PRO A 20 6.636 7.250 -1.310 1.00 0.00 C ATOM 264 O PRO A 20 6.417 8.157 -2.118 1.00 0.00 O ATOM 265 CB PRO A 20 8.843 6.255 -0.675 1.00 0.00 C ATOM 266 CG PRO A 20 9.769 7.222 -1.332 1.00 0.00 C ATOM 267 CD PRO A 20 9.566 7.065 -2.820 1.00 0.00 C ATOM 0 HA PRO A 20 7.101 5.222 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.536 6.606 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.318 5.284 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.552 8.243 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.804 7.016 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.531 8.032 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.379 6.499 -3.276 1.00 0.00 H new ATOM 275 N LEU A 21 6.014 7.153 -0.143 1.00 0.00 N ATOM 276 CA LEU A 21 5.114 8.194 0.335 1.00 0.00 C ATOM 277 C LEU A 21 5.035 8.151 1.857 1.00 0.00 C ATOM 278 O LEU A 21 4.752 7.106 2.443 1.00 0.00 O ATOM 279 CB LEU A 21 3.708 8.080 -0.288 1.00 0.00 C ATOM 280 CG LEU A 21 2.851 6.880 0.140 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.405 7.103 -0.267 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.362 5.588 -0.473 1.00 0.00 C ATOM 0 H LEU A 21 6.117 6.361 0.492 1.00 0.00 H new ATOM 0 HA LEU A 21 5.521 9.155 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.158 8.991 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.819 8.047 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 21 2.917 6.791 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.804 6.247 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.026 8.004 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.345 7.218 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.733 4.758 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.332 5.664 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.388 5.413 -0.150 1.00 0.00 H new ATOM 294 N SER A 22 5.334 9.274 2.487 1.00 0.00 N ATOM 295 CA SER A 22 5.263 9.382 3.936 1.00 0.00 C ATOM 296 C SER A 22 3.808 9.506 4.388 1.00 0.00 C ATOM 297 O SER A 22 2.927 9.821 3.587 1.00 0.00 O ATOM 298 CB SER A 22 6.067 10.596 4.405 1.00 0.00 C ATOM 299 OG SER A 22 7.368 10.600 3.838 1.00 0.00 O ATOM 0 H SER A 22 5.630 10.129 2.016 1.00 0.00 H new ATOM 0 HA SER A 22 5.688 8.481 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.544 11.511 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.141 10.588 5.492 1.00 0.00 H new ATOM 0 HG SER A 22 7.860 11.387 4.153 1.00 0.00 H new ATOM 305 N GLU A 23 3.560 9.274 5.674 1.00 0.00 N ATOM 306 CA GLU A 23 2.207 9.345 6.217 1.00 0.00 C ATOM 307 C GLU A 23 1.615 10.745 6.060 1.00 0.00 C ATOM 308 O GLU A 23 0.465 10.900 5.645 1.00 0.00 O ATOM 309 CB GLU A 23 2.183 8.894 7.688 1.00 0.00 C ATOM 310 CG GLU A 23 3.496 9.092 8.441 1.00 0.00 C ATOM 311 CD GLU A 23 3.875 10.547 8.616 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.357 11.198 9.542 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.695 11.047 7.820 1.00 0.00 O ATOM 0 H GLU A 23 4.277 9.035 6.359 1.00 0.00 H new ATOM 0 HA GLU A 23 1.582 8.660 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.396 9.441 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.915 7.838 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.418 8.624 9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.294 8.578 7.906 1.00 0.00 H new ATOM 320 N ASN A 24 2.412 11.763 6.352 1.00 0.00 N ATOM 321 CA ASN A 24 1.965 13.146 6.228 1.00 0.00 C ATOM 322 C ASN A 24 1.916 13.553 4.760 1.00 0.00 C ATOM 323 O ASN A 24 1.282 14.542 4.396 1.00 0.00 O ATOM 324 CB ASN A 24 2.887 14.091 7.012 1.00 0.00 C ATOM 325 CG ASN A 24 4.246 14.278 6.358 1.00 0.00 C ATOM 326 OD1 ASN A 24 4.449 15.207 5.572 1.00 0.00 O ATOM 327 ND2 ASN A 24 5.184 13.394 6.666 1.00 0.00 N ATOM 0 H ASN A 24 3.373 11.659 6.677 1.00 0.00 H new ATOM 0 HA ASN A 24 0.963 13.221 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.402 15.062 7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.026 13.699 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.112 13.468 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.978 12.639 7.321 1.00 0.00 H new ATOM 334 N ASP A 25 2.580 12.767 3.922 1.00 0.00 N ATOM 335 CA ASP A 25 2.630 13.029 2.491 1.00 0.00 C ATOM 336 C ASP A 25 1.358 12.527 1.820 1.00 0.00 C ATOM 337 O ASP A 25 0.791 13.202 0.961 1.00 0.00 O ATOM 338 CB ASP A 25 3.862 12.356 1.877 1.00 0.00 C ATOM 339 CG ASP A 25 4.014 12.636 0.397 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.310 13.794 0.033 1.00 0.00 O ATOM 341 OD2 ASP A 25 3.881 11.694 -0.407 1.00 0.00 O ATOM 0 H ASP A 25 3.095 11.936 4.213 1.00 0.00 H new ATOM 0 HA ASP A 25 2.704 14.105 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.755 12.699 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.796 11.279 2.032 1.00 0.00 H new ATOM 346 N ILE A 26 0.907 11.344 2.225 1.00 0.00 N ATOM 347 CA ILE A 26 -0.336 10.783 1.707 1.00 0.00 C ATOM 348 C ILE A 26 -1.549 11.456 2.364 1.00 0.00 C ATOM 349 O ILE A 26 -2.548 11.735 1.700 1.00 0.00 O ATOM 350 CB ILE A 26 -0.400 9.246 1.900 1.00 0.00 C ATOM 351 CG1 ILE A 26 -1.719 8.683 1.346 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.225 8.863 3.364 1.00 0.00 C ATOM 353 CD1 ILE A 26 -1.943 7.216 1.646 1.00 0.00 C ATOM 0 H ILE A 26 1.383 10.756 2.909 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.360 10.982 0.636 1.00 0.00 H new ATOM 0 HB ILE A 26 0.425 8.806 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.548 9.257 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.738 8.828 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.275 7.779 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.743 9.216 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.018 9.319 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.895 6.899 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.136 6.628 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.959 7.064 2.725 1.00 0.00 H new ATOM 365 N GLY A 27 -1.449 11.742 3.663 1.00 0.00 N ATOM 366 CA GLY A 27 -2.528 12.426 4.358 1.00 0.00 C ATOM 367 C GLY A 27 -3.132 11.606 5.483 1.00 0.00 C ATOM 368 O GLY A 27 -4.340 11.664 5.724 1.00 0.00 O ATOM 0 H GLY A 27 -0.642 11.513 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.152 13.365 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.310 12.679 3.642 1.00 0.00 H new ATOM 372 N VAL A 28 -2.297 10.842 6.175 1.00 0.00 N ATOM 373 CA VAL A 28 -2.747 10.045 7.311 1.00 0.00 C ATOM 374 C VAL A 28 -1.747 10.149 8.455 1.00 0.00 C ATOM 375 O VAL A 28 -0.690 10.765 8.312 1.00 0.00 O ATOM 376 CB VAL A 28 -2.939 8.551 6.948 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.016 8.372 5.891 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.631 7.931 6.484 1.00 0.00 C ATOM 0 H VAL A 28 -1.302 10.757 5.970 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.714 10.447 7.612 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.264 8.034 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.126 7.313 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.962 8.761 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.733 8.914 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.793 6.882 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.270 8.461 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.891 8.005 7.281 1.00 0.00 H new ATOM 388 N THR A 29 -2.082 9.560 9.591 1.00 0.00 N ATOM 389 CA THR A 29 -1.161 9.508 10.712 1.00 0.00 C ATOM 390 C THR A 29 -0.219 8.321 10.571 1.00 0.00 C ATOM 391 O THR A 29 -0.542 7.348 9.885 1.00 0.00 O ATOM 392 CB THR A 29 -1.907 9.396 12.052 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.818 8.287 12.019 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.668 10.673 12.363 1.00 0.00 C ATOM 0 H THR A 29 -2.983 9.112 9.760 1.00 0.00 H new ATOM 0 HA THR A 29 -0.592 10.437 10.705 1.00 0.00 H new ATOM 0 HB THR A 29 -1.167 9.235 12.836 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.287 8.223 12.877 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.186 10.565 13.316 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.969 11.508 12.422 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.396 10.864 11.574 1.00 0.00 H new ATOM 402 N GLU A 30 0.944 8.406 11.214 1.00 0.00 N ATOM 403 CA GLU A 30 1.891 7.294 11.243 1.00 0.00 C ATOM 404 C GLU A 30 1.195 6.058 11.780 1.00 0.00 C ATOM 405 O GLU A 30 1.373 4.954 11.276 1.00 0.00 O ATOM 406 CB GLU A 30 3.089 7.625 12.132 1.00 0.00 C ATOM 407 CG GLU A 30 3.513 9.076 12.054 1.00 0.00 C ATOM 408 CD GLU A 30 4.944 9.290 12.501 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.868 8.995 11.709 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.153 9.752 13.642 1.00 0.00 O ATOM 0 H GLU A 30 1.253 9.235 11.722 1.00 0.00 H new ATOM 0 HA GLU A 30 2.249 7.114 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.843 7.381 13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.930 6.993 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.400 9.429 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.849 9.678 12.674 1.00 0.00 H new ATOM 417 N ASP A 31 0.382 6.287 12.801 1.00 0.00 N ATOM 418 CA ASP A 31 -0.439 5.257 13.413 1.00 0.00 C ATOM 419 C ASP A 31 -1.147 4.408 12.365 1.00 0.00 C ATOM 420 O ASP A 31 -0.929 3.197 12.278 1.00 0.00 O ATOM 421 CB ASP A 31 -1.477 5.921 14.311 1.00 0.00 C ATOM 422 CG ASP A 31 -0.929 6.298 15.668 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.839 5.413 16.543 1.00 0.00 O ATOM 424 OD2 ASP A 31 -0.603 7.485 15.873 1.00 0.00 O ATOM 0 H ASP A 31 0.274 7.205 13.232 1.00 0.00 H new ATOM 0 HA ASP A 31 0.209 4.601 13.994 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.857 6.815 13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.322 5.245 14.442 1.00 0.00 H new ATOM 429 N GLN A 32 -1.978 5.057 11.559 1.00 0.00 N ATOM 430 CA GLN A 32 -2.754 4.360 10.547 1.00 0.00 C ATOM 431 C GLN A 32 -1.859 3.875 9.412 1.00 0.00 C ATOM 432 O GLN A 32 -2.117 2.834 8.815 1.00 0.00 O ATOM 433 CB GLN A 32 -3.856 5.267 9.994 1.00 0.00 C ATOM 434 CG GLN A 32 -4.829 5.770 11.051 1.00 0.00 C ATOM 435 CD GLN A 32 -5.999 6.533 10.457 1.00 0.00 C ATOM 436 OE1 GLN A 32 -7.094 6.550 11.018 1.00 0.00 O ATOM 437 NE2 GLN A 32 -5.783 7.162 9.314 1.00 0.00 N ATOM 0 H GLN A 32 -2.130 6.065 11.588 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.216 3.492 11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.395 6.123 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.413 4.722 9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.207 4.923 11.623 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.297 6.416 11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.862 7.126 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.538 7.684 8.868 1.00 0.00 H new ATOM 446 N PHE A 33 -0.804 4.629 9.124 1.00 0.00 N ATOM 447 CA PHE A 33 0.095 4.297 8.026 1.00 0.00 C ATOM 448 C PHE A 33 0.824 2.981 8.297 1.00 0.00 C ATOM 449 O PHE A 33 0.695 2.027 7.527 1.00 0.00 O ATOM 450 CB PHE A 33 1.103 5.425 7.794 1.00 0.00 C ATOM 451 CG PHE A 33 1.920 5.248 6.547 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.361 5.484 5.301 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.244 4.850 6.621 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.106 5.325 4.150 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.996 4.687 5.472 1.00 0.00 C ATOM 456 CZ PHE A 33 3.425 4.926 4.235 1.00 0.00 C ATOM 0 H PHE A 33 -0.551 5.474 9.636 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.505 4.177 7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.569 6.374 7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.772 5.486 8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.330 5.796 5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.694 4.665 7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.658 5.512 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.027 4.374 5.540 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.011 4.801 3.336 1.00 0.00 H new ATOM 466 N ASP A 34 1.571 2.929 9.398 1.00 0.00 N ATOM 467 CA ASP A 34 2.328 1.730 9.757 1.00 0.00 C ATOM 468 C ASP A 34 1.401 0.526 9.874 1.00 0.00 C ATOM 469 O ASP A 34 1.711 -0.557 9.377 1.00 0.00 O ATOM 470 CB ASP A 34 3.089 1.924 11.077 1.00 0.00 C ATOM 471 CG ASP A 34 4.244 2.908 10.971 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.009 4.126 11.107 1.00 0.00 O ATOM 473 OD2 ASP A 34 5.398 2.469 10.795 1.00 0.00 O ATOM 0 H ASP A 34 1.669 3.702 10.057 1.00 0.00 H new ATOM 0 HA ASP A 34 3.053 1.551 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.394 2.273 11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.473 0.960 11.411 1.00 0.00 H new ATOM 478 N ASP A 35 0.254 0.725 10.521 1.00 0.00 N ATOM 479 CA ASP A 35 -0.720 -0.350 10.701 1.00 0.00 C ATOM 480 C ASP A 35 -1.212 -0.882 9.357 1.00 0.00 C ATOM 481 O ASP A 35 -1.288 -2.097 9.147 1.00 0.00 O ATOM 482 CB ASP A 35 -1.910 0.138 11.532 1.00 0.00 C ATOM 483 CG ASP A 35 -2.998 -0.909 11.659 1.00 0.00 C ATOM 484 OD1 ASP A 35 -2.886 -1.792 12.537 1.00 0.00 O ATOM 485 OD2 ASP A 35 -3.983 -0.851 10.893 1.00 0.00 O ATOM 0 H ASP A 35 -0.023 1.618 10.928 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.222 -1.162 11.231 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.563 0.419 12.526 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.326 1.035 11.073 1.00 0.00 H new ATOM 490 N ALA A 36 -1.532 0.032 8.447 1.00 0.00 N ATOM 491 CA ALA A 36 -2.043 -0.336 7.135 1.00 0.00 C ATOM 492 C ALA A 36 -0.993 -1.074 6.315 1.00 0.00 C ATOM 493 O ALA A 36 -1.275 -2.127 5.748 1.00 0.00 O ATOM 494 CB ALA A 36 -2.528 0.895 6.386 1.00 0.00 C ATOM 0 H ALA A 36 -1.445 1.037 8.597 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.886 -1.011 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.906 0.600 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.325 1.376 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.701 1.593 6.260 1.00 0.00 H new ATOM 500 N VAL A 37 0.219 -0.527 6.269 1.00 0.00 N ATOM 501 CA VAL A 37 1.296 -1.116 5.476 1.00 0.00 C ATOM 502 C VAL A 37 1.594 -2.548 5.923 1.00 0.00 C ATOM 503 O VAL A 37 1.779 -3.444 5.094 1.00 0.00 O ATOM 504 CB VAL A 37 2.587 -0.267 5.547 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.709 -0.912 4.748 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.326 1.143 5.038 1.00 0.00 C ATOM 0 H VAL A 37 0.480 0.322 6.770 1.00 0.00 H new ATOM 0 HA VAL A 37 0.953 -1.134 4.442 1.00 0.00 H new ATOM 0 HB VAL A 37 2.896 -0.214 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.605 -0.295 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.920 -1.902 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.407 -1.002 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.245 1.726 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.988 1.099 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.558 1.615 5.651 1.00 0.00 H new ATOM 516 N ASN A 38 1.618 -2.765 7.234 1.00 0.00 N ATOM 517 CA ASN A 38 1.855 -4.098 7.774 1.00 0.00 C ATOM 518 C ASN A 38 0.735 -5.045 7.363 1.00 0.00 C ATOM 519 O ASN A 38 0.990 -6.169 6.932 1.00 0.00 O ATOM 520 CB ASN A 38 1.980 -4.064 9.301 1.00 0.00 C ATOM 521 CG ASN A 38 3.209 -3.309 9.774 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.212 -3.221 9.069 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.141 -2.759 10.978 1.00 0.00 N ATOM 0 H ASN A 38 1.477 -2.040 7.938 1.00 0.00 H new ATOM 0 HA ASN A 38 2.797 -4.461 7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.089 -3.600 9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.018 -5.085 9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.938 -2.242 11.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.291 -2.853 11.534 1.00 0.00 H new ATOM 530 N PHE A 39 -0.504 -4.577 7.479 1.00 0.00 N ATOM 531 CA PHE A 39 -1.665 -5.369 7.086 1.00 0.00 C ATOM 532 C PHE A 39 -1.624 -5.687 5.595 1.00 0.00 C ATOM 533 O PHE A 39 -1.907 -6.812 5.183 1.00 0.00 O ATOM 534 CB PHE A 39 -2.960 -4.621 7.425 1.00 0.00 C ATOM 535 CG PHE A 39 -4.205 -5.309 6.931 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.740 -6.389 7.617 1.00 0.00 C ATOM 537 CD2 PHE A 39 -4.839 -4.874 5.778 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.882 -7.021 7.162 1.00 0.00 C ATOM 539 CE2 PHE A 39 -5.980 -5.500 5.319 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.503 -6.575 6.011 1.00 0.00 C ATOM 0 H PHE A 39 -0.730 -3.651 7.843 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.640 -6.306 7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.027 -4.501 8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.914 -3.620 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.259 -6.741 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.435 -4.034 5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.288 -7.862 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.464 -5.150 4.419 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.396 -7.066 5.653 1.00 0.00 H new ATOM 550 N LEU A 40 -1.260 -4.689 4.800 1.00 0.00 N ATOM 551 CA LEU A 40 -1.200 -4.832 3.352 1.00 0.00 C ATOM 552 C LEU A 40 -0.232 -5.938 2.940 1.00 0.00 C ATOM 553 O LEU A 40 -0.535 -6.738 2.053 1.00 0.00 O ATOM 554 CB LEU A 40 -0.786 -3.507 2.707 1.00 0.00 C ATOM 555 CG LEU A 40 -1.803 -2.374 2.829 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.234 -1.084 2.261 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.092 -2.741 2.117 1.00 0.00 C ATOM 0 H LEU A 40 -0.999 -3.763 5.139 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.195 -5.108 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.152 -3.181 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.588 -3.683 1.650 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.022 -2.219 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.972 -0.288 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.333 -0.811 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.988 -1.227 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.806 -1.923 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.886 -2.921 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.510 -3.643 2.564 1.00 0.00 H new ATOM 569 N LYS A 41 0.926 -5.991 3.585 1.00 0.00 N ATOM 570 CA LYS A 41 1.906 -7.021 3.274 1.00 0.00 C ATOM 571 C LYS A 41 1.476 -8.359 3.867 1.00 0.00 C ATOM 572 O LYS A 41 1.647 -9.409 3.244 1.00 0.00 O ATOM 573 CB LYS A 41 3.293 -6.642 3.795 1.00 0.00 C ATOM 574 CG LYS A 41 4.398 -7.504 3.204 1.00 0.00 C ATOM 575 CD LYS A 41 5.737 -7.273 3.883 1.00 0.00 C ATOM 576 CE LYS A 41 5.726 -7.748 5.328 1.00 0.00 C ATOM 577 NZ LYS A 41 7.102 -7.968 5.847 1.00 0.00 N ATOM 0 H LYS A 41 1.207 -5.340 4.319 1.00 0.00 H new ATOM 0 HA LYS A 41 1.962 -7.111 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.490 -5.596 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.307 -6.735 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.124 -8.555 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.492 -7.290 2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.519 -7.798 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.983 -6.212 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.217 -7.011 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.157 -8.675 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.083 -8.708 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.723 -8.266 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.463 -7.084 6.259 1.00 0.00 H new ATOM 591 N ARG A 42 0.907 -8.304 5.065 1.00 0.00 N ATOM 592 CA ARG A 42 0.430 -9.497 5.759 1.00 0.00 C ATOM 593 C ARG A 42 -0.683 -10.196 4.971 1.00 0.00 C ATOM 594 O ARG A 42 -0.724 -11.426 4.892 1.00 0.00 O ATOM 595 CB ARG A 42 -0.046 -9.113 7.168 1.00 0.00 C ATOM 596 CG ARG A 42 -0.871 -10.180 7.868 1.00 0.00 C ATOM 597 CD ARG A 42 -2.313 -9.732 8.032 1.00 0.00 C ATOM 598 NE ARG A 42 -3.181 -10.819 8.481 1.00 0.00 N ATOM 599 CZ ARG A 42 -4.353 -10.633 9.089 1.00 0.00 C ATOM 600 NH1 ARG A 42 -4.737 -9.411 9.437 1.00 0.00 N ATOM 601 NH2 ARG A 42 -5.125 -11.673 9.380 1.00 0.00 N ATOM 0 H ARG A 42 0.763 -7.437 5.582 1.00 0.00 H new ATOM 0 HA ARG A 42 1.254 -10.206 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.825 -8.884 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.638 -8.200 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.837 -11.106 7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.440 -10.395 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.358 -8.913 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.681 -9.344 7.082 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.872 -11.777 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.135 -8.612 9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.634 -9.271 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.822 -12.617 9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.021 -11.529 9.845 1.00 0.00 H new ATOM 615 N GLU A 43 -1.577 -9.410 4.380 1.00 0.00 N ATOM 616 CA GLU A 43 -2.672 -9.960 3.584 1.00 0.00 C ATOM 617 C GLU A 43 -2.191 -10.296 2.173 1.00 0.00 C ATOM 618 O GLU A 43 -2.937 -10.843 1.356 1.00 0.00 O ATOM 619 CB GLU A 43 -3.843 -8.976 3.536 1.00 0.00 C ATOM 620 CG GLU A 43 -5.165 -9.572 4.000 1.00 0.00 C ATOM 621 CD GLU A 43 -5.682 -10.655 3.075 1.00 0.00 C ATOM 622 OE1 GLU A 43 -5.290 -11.828 3.243 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.486 -10.342 2.170 1.00 0.00 O ATOM 0 H GLU A 43 -1.566 -8.392 4.436 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.016 -10.880 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.606 -8.113 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.958 -8.611 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.040 -9.986 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.909 -8.779 4.074 1.00 0.00 H new ATOM 630 N GLY A 44 -0.937 -9.957 1.899 1.00 0.00 N ATOM 631 CA GLY A 44 -0.314 -10.324 0.642 1.00 0.00 C ATOM 632 C GLY A 44 -0.774 -9.482 -0.527 1.00 0.00 C ATOM 633 O GLY A 44 -0.922 -9.992 -1.632 1.00 0.00 O ATOM 0 H GLY A 44 -0.336 -9.429 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.768 -10.234 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.528 -11.372 0.432 1.00 0.00 H new ATOM 637 N TYR A 45 -0.999 -8.195 -0.298 1.00 0.00 N ATOM 638 CA TYR A 45 -1.413 -7.305 -1.373 1.00 0.00 C ATOM 639 C TYR A 45 -0.197 -6.818 -2.152 1.00 0.00 C ATOM 640 O TYR A 45 -0.176 -6.863 -3.384 1.00 0.00 O ATOM 641 CB TYR A 45 -2.218 -6.121 -0.828 1.00 0.00 C ATOM 642 CG TYR A 45 -3.512 -6.534 -0.165 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.346 -7.471 -0.759 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.899 -5.993 1.053 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.525 -7.861 -0.157 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.080 -6.375 1.660 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.888 -7.310 1.052 1.00 0.00 C ATOM 648 OH TYR A 45 -7.059 -7.701 1.659 1.00 0.00 O ATOM 0 H TYR A 45 -0.903 -7.748 0.614 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.059 -7.863 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.607 -5.575 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.439 -5.434 -1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.067 -7.903 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.267 -5.262 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.160 -8.595 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.368 -5.942 2.607 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.988 -8.640 1.932 1.00 0.00 H new ATOM 658 N ILE A 46 0.823 -6.374 -1.433 1.00 0.00 N ATOM 659 CA ILE A 46 2.063 -5.930 -2.061 1.00 0.00 C ATOM 660 C ILE A 46 3.265 -6.506 -1.318 1.00 0.00 C ATOM 661 O ILE A 46 3.146 -6.952 -0.175 1.00 0.00 O ATOM 662 CB ILE A 46 2.199 -4.379 -2.132 1.00 0.00 C ATOM 663 CG1 ILE A 46 2.461 -3.760 -0.749 1.00 0.00 C ATOM 664 CG2 ILE A 46 0.965 -3.753 -2.771 1.00 0.00 C ATOM 665 CD1 ILE A 46 1.329 -3.930 0.234 1.00 0.00 C ATOM 0 H ILE A 46 0.819 -6.311 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 46 2.033 -6.299 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 46 3.064 -4.162 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.362 -4.208 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.662 -2.696 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.085 -2.670 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.843 -4.140 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.084 -4.000 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.598 -3.464 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.430 -3.457 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.140 -4.992 0.392 1.00 0.00 H new ATOM 677 N ILE A 47 4.408 -6.505 -1.978 1.00 0.00 N ATOM 678 CA ILE A 47 5.643 -6.995 -1.389 1.00 0.00 C ATOM 679 C ILE A 47 6.750 -5.969 -1.577 1.00 0.00 C ATOM 680 O ILE A 47 6.537 -4.932 -2.205 1.00 0.00 O ATOM 681 CB ILE A 47 6.083 -8.338 -2.013 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.166 -8.211 -3.537 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.123 -9.452 -1.614 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.645 -9.464 -4.233 1.00 0.00 C ATOM 0 H ILE A 47 4.508 -6.166 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 47 5.458 -7.157 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 47 7.073 -8.592 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.182 -7.947 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.838 -7.390 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.448 -10.391 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.113 -9.553 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.120 -9.211 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.676 -9.293 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.643 -9.719 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.962 -10.285 -4.016 1.00 0.00 H new ATOM 696 N GLY A 48 7.925 -6.257 -1.038 1.00 0.00 N ATOM 697 CA GLY A 48 9.047 -5.350 -1.177 1.00 0.00 C ATOM 698 C GLY A 48 9.097 -4.315 -0.071 1.00 0.00 C ATOM 699 O GLY A 48 9.850 -3.342 -0.152 1.00 0.00 O ATOM 0 H GLY A 48 8.123 -7.104 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.975 -5.922 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.984 -4.845 -2.141 1.00 0.00 H new ATOM 703 N VAL A 49 8.294 -4.526 0.963 1.00 0.00 N ATOM 704 CA VAL A 49 8.271 -3.624 2.101 1.00 0.00 C ATOM 705 C VAL A 49 9.479 -3.901 2.986 1.00 0.00 C ATOM 706 O VAL A 49 9.665 -5.020 3.459 1.00 0.00 O ATOM 707 CB VAL A 49 6.977 -3.775 2.929 1.00 0.00 C ATOM 708 CG1 VAL A 49 6.921 -2.733 4.037 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.754 -3.669 2.033 1.00 0.00 C ATOM 0 H VAL A 49 7.651 -5.314 1.035 1.00 0.00 H new ATOM 0 HA VAL A 49 8.304 -2.602 1.722 1.00 0.00 H new ATOM 0 HB VAL A 49 6.981 -4.763 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.001 -2.858 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.778 -2.859 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.944 -1.735 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.852 -3.778 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.747 -2.696 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.785 -4.457 1.280 1.00 0.00 H new ATOM 719 N HIS A 50 10.301 -2.885 3.197 1.00 0.00 N ATOM 720 CA HIS A 50 11.558 -3.067 3.904 1.00 0.00 C ATOM 721 C HIS A 50 11.465 -2.586 5.343 1.00 0.00 C ATOM 722 O HIS A 50 11.001 -1.476 5.617 1.00 0.00 O ATOM 723 CB HIS A 50 12.694 -2.348 3.171 1.00 0.00 C ATOM 724 CG HIS A 50 13.105 -3.031 1.904 1.00 0.00 C ATOM 725 ND1 HIS A 50 12.752 -2.582 0.650 1.00 0.00 N ATOM 726 CD2 HIS A 50 13.848 -4.141 1.710 1.00 0.00 C ATOM 727 CE1 HIS A 50 13.261 -3.393 -0.259 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.932 -4.348 0.358 1.00 0.00 N ATOM 0 H HIS A 50 10.121 -1.929 2.890 1.00 0.00 H new ATOM 0 HA HIS A 50 11.774 -4.135 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.382 -1.329 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.557 -2.276 3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.294 -4.754 2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.147 -3.292 -1.328 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.430 -5.113 -0.096 1.00 0.00 H new ATOM 737 N TYR A 51 11.890 -3.443 6.256 1.00 0.00 N ATOM 738 CA TYR A 51 11.925 -3.118 7.670 1.00 0.00 C ATOM 739 C TYR A 51 13.365 -3.113 8.162 1.00 0.00 C ATOM 740 O TYR A 51 14.130 -4.032 7.873 1.00 0.00 O ATOM 741 CB TYR A 51 11.132 -4.143 8.493 1.00 0.00 C ATOM 742 CG TYR A 51 9.664 -4.250 8.146 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.252 -4.815 6.949 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.689 -3.802 9.028 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.915 -4.928 6.636 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.347 -3.917 8.723 1.00 0.00 C ATOM 747 CZ TYR A 51 6.966 -4.481 7.525 1.00 0.00 C ATOM 748 OH TYR A 51 5.634 -4.600 7.214 1.00 0.00 O ATOM 0 H TYR A 51 12.220 -4.383 6.037 1.00 0.00 H new ATOM 0 HA TYR A 51 11.475 -2.133 7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.592 -5.123 8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.222 -3.885 9.548 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.992 -5.173 6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.985 -3.357 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.613 -5.366 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.600 -3.567 9.420 1.00 0.00 H new ATOM 0 HH TYR A 51 5.104 -4.048 7.827 1.00 0.00 H new ATOM 758 N SER A 52 13.732 -2.080 8.892 1.00 0.00 N ATOM 759 CA SER A 52 15.022 -2.043 9.558 1.00 0.00 C ATOM 760 C SER A 52 14.833 -2.345 11.041 1.00 0.00 C ATOM 761 O SER A 52 15.549 -1.825 11.899 1.00 0.00 O ATOM 762 CB SER A 52 15.688 -0.682 9.342 1.00 0.00 C ATOM 763 OG SER A 52 14.734 0.370 9.367 1.00 0.00 O ATOM 0 H SER A 52 13.155 -1.252 9.041 1.00 0.00 H new ATOM 0 HA SER A 52 15.680 -2.802 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.437 -0.515 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.211 -0.679 8.386 1.00 0.00 H new ATOM 0 HG SER A 52 14.034 0.162 10.021 1.00 0.00 H new ATOM 769 N ASP A 53 13.867 -3.227 11.307 1.00 0.00 N ATOM 770 CA ASP A 53 13.450 -3.589 12.661 1.00 0.00 C ATOM 771 C ASP A 53 13.148 -2.346 13.489 1.00 0.00 C ATOM 772 O ASP A 53 13.758 -2.098 14.529 1.00 0.00 O ATOM 773 CB ASP A 53 14.494 -4.465 13.354 1.00 0.00 C ATOM 774 CG ASP A 53 13.963 -5.056 14.645 1.00 0.00 C ATOM 775 OD1 ASP A 53 12.989 -5.831 14.588 1.00 0.00 O ATOM 776 OD2 ASP A 53 14.513 -4.747 15.721 1.00 0.00 O ATOM 0 H ASP A 53 13.347 -3.715 10.578 1.00 0.00 H new ATOM 0 HA ASP A 53 12.533 -4.173 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.797 -5.269 12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.384 -3.872 13.564 1.00 0.00 H new ATOM 781 N ASP A 54 12.209 -1.560 12.994 1.00 0.00 N ATOM 782 CA ASP A 54 11.783 -0.341 13.662 1.00 0.00 C ATOM 783 C ASP A 54 10.375 0.020 13.208 1.00 0.00 C ATOM 784 O ASP A 54 9.509 0.327 14.025 1.00 0.00 O ATOM 785 CB ASP A 54 12.759 0.815 13.378 1.00 0.00 C ATOM 786 CG ASP A 54 12.798 1.233 11.917 1.00 0.00 C ATOM 787 OD1 ASP A 54 12.799 0.351 11.032 1.00 0.00 O ATOM 788 OD2 ASP A 54 12.842 2.451 11.641 1.00 0.00 O ATOM 0 H ASP A 54 11.720 -1.747 12.119 1.00 0.00 H new ATOM 0 HA ASP A 54 11.780 -0.512 14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.478 1.675 13.986 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.761 0.519 13.689 1.00 0.00 H new ATOM 793 N ARG A 55 10.166 -0.034 11.896 1.00 0.00 N ATOM 794 CA ARG A 55 8.867 0.207 11.283 1.00 0.00 C ATOM 795 C ARG A 55 8.988 -0.023 9.778 1.00 0.00 C ATOM 796 O ARG A 55 10.103 -0.086 9.254 1.00 0.00 O ATOM 797 CB ARG A 55 8.386 1.636 11.576 1.00 0.00 C ATOM 798 CG ARG A 55 9.245 2.719 10.952 1.00 0.00 C ATOM 799 CD ARG A 55 8.898 4.090 11.512 1.00 0.00 C ATOM 800 NE ARG A 55 7.514 4.484 11.244 1.00 0.00 N ATOM 801 CZ ARG A 55 7.090 5.750 11.297 1.00 0.00 C ATOM 802 NH1 ARG A 55 7.946 6.723 11.592 1.00 0.00 N ATOM 803 NH2 ARG A 55 5.818 6.043 11.074 1.00 0.00 N ATOM 0 H ARG A 55 10.902 -0.249 11.223 1.00 0.00 H new ATOM 0 HA ARG A 55 8.131 -0.480 11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.364 1.745 11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.360 1.785 12.655 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.297 2.504 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.105 2.719 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.068 4.090 12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.571 4.832 11.083 1.00 0.00 H new ATOM 0 HE ARG A 55 6.840 3.756 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.924 6.503 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.624 7.690 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.153 5.300 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.503 7.012 11.116 1.00 0.00 H new ATOM 817 N PRO A 56 7.864 -0.188 9.067 1.00 0.00 N ATOM 818 CA PRO A 56 7.876 -0.349 7.609 1.00 0.00 C ATOM 819 C PRO A 56 8.354 0.917 6.895 1.00 0.00 C ATOM 820 O PRO A 56 7.837 2.010 7.126 1.00 0.00 O ATOM 821 CB PRO A 56 6.411 -0.647 7.265 1.00 0.00 C ATOM 822 CG PRO A 56 5.627 -0.089 8.401 1.00 0.00 C ATOM 823 CD PRO A 56 6.496 -0.245 9.616 1.00 0.00 C ATOM 0 HA PRO A 56 8.563 -1.133 7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.125 -0.182 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.241 -1.718 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.381 0.959 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.684 -0.622 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.320 0.550 10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.307 -1.189 10.127 1.00 0.00 H new ATOM 831 N HIS A 57 9.360 0.770 6.045 1.00 0.00 N ATOM 832 CA HIS A 57 9.864 1.897 5.271 1.00 0.00 C ATOM 833 C HIS A 57 9.660 1.652 3.782 1.00 0.00 C ATOM 834 O HIS A 57 10.001 0.583 3.265 1.00 0.00 O ATOM 835 CB HIS A 57 11.349 2.156 5.562 1.00 0.00 C ATOM 836 CG HIS A 57 11.634 2.588 6.967 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.465 3.884 7.410 1.00 0.00 N ATOM 838 CD2 HIS A 57 12.069 1.883 8.036 1.00 0.00 C ATOM 839 CE1 HIS A 57 11.779 3.952 8.689 1.00 0.00 C ATOM 840 NE2 HIS A 57 12.149 2.753 9.090 1.00 0.00 N ATOM 0 H HIS A 57 9.841 -0.113 5.874 1.00 0.00 H new ATOM 0 HA HIS A 57 9.301 2.782 5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.913 1.247 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.713 2.922 4.877 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.309 0.830 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.740 4.840 9.303 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.447 2.511 10.035 1.00 0.00 H new ATOM 849 N LEU A 58 9.097 2.637 3.099 1.00 0.00 N ATOM 850 CA LEU A 58 8.854 2.532 1.669 1.00 0.00 C ATOM 851 C LEU A 58 9.917 3.287 0.889 1.00 0.00 C ATOM 852 O LEU A 58 10.354 4.363 1.296 1.00 0.00 O ATOM 853 CB LEU A 58 7.462 3.064 1.319 1.00 0.00 C ATOM 854 CG LEU A 58 6.295 2.282 1.927 1.00 0.00 C ATOM 855 CD1 LEU A 58 4.968 2.902 1.517 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.355 0.818 1.506 1.00 0.00 C ATOM 0 H LEU A 58 8.799 3.520 3.514 1.00 0.00 H new ATOM 0 HA LEU A 58 8.903 1.479 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.394 4.101 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.353 3.065 0.235 1.00 0.00 H new ATOM 0 HG LEU A 58 6.376 2.330 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.149 2.334 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.924 3.933 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.878 2.884 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.518 0.278 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.299 0.749 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.292 0.379 1.849 1.00 0.00 H new ATOM 868 N TYR A 59 10.340 2.699 -0.217 1.00 0.00 N ATOM 869 CA TYR A 59 11.310 3.316 -1.112 1.00 0.00 C ATOM 870 C TYR A 59 10.860 3.074 -2.541 1.00 0.00 C ATOM 871 O TYR A 59 9.848 2.419 -2.756 1.00 0.00 O ATOM 872 CB TYR A 59 12.710 2.718 -0.909 1.00 0.00 C ATOM 873 CG TYR A 59 13.235 2.810 0.508 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.798 3.986 0.987 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.175 1.714 1.363 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.285 4.069 2.278 1.00 0.00 C ATOM 877 CE2 TYR A 59 13.661 1.790 2.655 1.00 0.00 C ATOM 878 CZ TYR A 59 14.215 2.970 3.107 1.00 0.00 C ATOM 879 OH TYR A 59 14.704 3.048 4.391 1.00 0.00 O ATOM 0 H TYR A 59 10.022 1.779 -0.522 1.00 0.00 H new ATOM 0 HA TYR A 59 11.366 4.383 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.690 1.670 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.408 3.226 -1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.856 4.849 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.742 0.789 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.719 4.991 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.607 0.931 3.307 1.00 0.00 H new ATOM 0 HH TYR A 59 14.577 2.187 4.842 1.00 0.00 H new ATOM 889 N LYS A 60 11.596 3.594 -3.510 1.00 0.00 N ATOM 890 CA LYS A 60 11.307 3.296 -4.907 1.00 0.00 C ATOM 891 C LYS A 60 11.875 1.931 -5.266 1.00 0.00 C ATOM 892 O LYS A 60 11.494 1.319 -6.259 1.00 0.00 O ATOM 893 CB LYS A 60 11.889 4.367 -5.833 1.00 0.00 C ATOM 894 CG LYS A 60 11.268 5.737 -5.638 1.00 0.00 C ATOM 895 CD LYS A 60 11.783 6.736 -6.659 1.00 0.00 C ATOM 896 CE LYS A 60 11.153 8.104 -6.459 1.00 0.00 C ATOM 897 NZ LYS A 60 9.674 8.072 -6.614 1.00 0.00 N ATOM 0 H LYS A 60 12.389 4.217 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 60 10.225 3.288 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.964 4.437 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.748 4.057 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.184 5.660 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.488 6.097 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.867 6.817 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.565 6.376 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.404 8.476 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.576 8.805 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.301 9.042 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.430 7.632 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.256 7.519 -5.839 1.00 0.00 H new ATOM 911 N LEU A 61 12.799 1.463 -4.436 1.00 0.00 N ATOM 912 CA LEU A 61 13.409 0.159 -4.628 1.00 0.00 C ATOM 913 C LEU A 61 12.785 -0.852 -3.675 1.00 0.00 C ATOM 914 O LEU A 61 13.066 -0.840 -2.475 1.00 0.00 O ATOM 915 CB LEU A 61 14.930 0.214 -4.396 1.00 0.00 C ATOM 916 CG LEU A 61 15.739 1.088 -5.366 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.353 0.799 -6.809 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.577 2.568 -5.043 1.00 0.00 C ATOM 0 H LEU A 61 13.142 1.972 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 61 13.230 -0.147 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.108 0.574 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.320 -0.803 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 61 16.792 0.836 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.940 1.431 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.550 -0.249 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.293 1.008 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.162 3.160 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.526 2.845 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.928 2.760 -4.029 1.00 0.00 H new ATOM 930 N GLY A 62 11.919 -1.707 -4.199 1.00 0.00 N ATOM 931 CA GLY A 62 11.321 -2.733 -3.372 1.00 0.00 C ATOM 932 C GLY A 62 9.863 -3.010 -3.704 1.00 0.00 C ATOM 933 O GLY A 62 9.548 -4.097 -4.184 1.00 0.00 O ATOM 0 H GLY A 62 11.622 -1.709 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.892 -3.655 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.396 -2.435 -2.326 1.00 0.00 H new ATOM 937 N PRO A 63 8.957 -2.048 -3.442 1.00 0.00 N ATOM 938 CA PRO A 63 7.506 -2.231 -3.607 1.00 0.00 C ATOM 939 C PRO A 63 7.094 -2.872 -4.934 1.00 0.00 C ATOM 940 O PRO A 63 7.357 -2.344 -6.019 1.00 0.00 O ATOM 941 CB PRO A 63 6.962 -0.808 -3.511 1.00 0.00 C ATOM 942 CG PRO A 63 7.923 -0.114 -2.618 1.00 0.00 C ATOM 943 CD PRO A 63 9.271 -0.693 -2.944 1.00 0.00 C ATOM 0 HA PRO A 63 7.116 -2.921 -2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.913 -0.333 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.953 -0.794 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.908 0.963 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.671 -0.275 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.791 -0.100 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.915 -0.728 -2.065 1.00 0.00 H new ATOM 951 N GLU A 64 6.455 -4.025 -4.821 1.00 0.00 N ATOM 952 CA GLU A 64 5.875 -4.717 -5.958 1.00 0.00 C ATOM 953 C GLU A 64 4.446 -5.107 -5.624 1.00 0.00 C ATOM 954 O GLU A 64 4.155 -5.481 -4.487 1.00 0.00 O ATOM 955 CB GLU A 64 6.675 -5.977 -6.299 1.00 0.00 C ATOM 956 CG GLU A 64 8.133 -5.719 -6.630 1.00 0.00 C ATOM 957 CD GLU A 64 8.871 -6.986 -6.992 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.677 -7.485 -8.119 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.643 -7.492 -6.151 1.00 0.00 O ATOM 0 H GLU A 64 6.324 -4.509 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 64 5.896 -4.050 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.622 -6.666 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.204 -6.474 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.196 -5.015 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.620 -5.249 -5.775 1.00 0.00 H new ATOM 966 N LEU A 65 3.556 -5.024 -6.593 1.00 0.00 N ATOM 967 CA LEU A 65 2.174 -5.402 -6.365 1.00 0.00 C ATOM 968 C LEU A 65 1.939 -6.829 -6.831 1.00 0.00 C ATOM 969 O LEU A 65 2.481 -7.258 -7.848 1.00 0.00 O ATOM 970 CB LEU A 65 1.203 -4.443 -7.062 1.00 0.00 C ATOM 971 CG LEU A 65 1.155 -3.024 -6.486 1.00 0.00 C ATOM 972 CD1 LEU A 65 2.302 -2.173 -7.021 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.186 -2.378 -6.790 1.00 0.00 C ATOM 0 H LEU A 65 3.762 -4.701 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 65 1.982 -5.340 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.474 -4.380 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.201 -4.870 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 65 1.271 -3.091 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.242 -1.172 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.253 -2.628 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.232 -2.110 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.207 -1.370 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.330 -2.329 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.985 -2.970 -6.344 1.00 0.00 H new ATOM 985 N THR A 66 1.147 -7.568 -6.073 1.00 0.00 N ATOM 986 CA THR A 66 0.877 -8.958 -6.395 1.00 0.00 C ATOM 987 C THR A 66 -0.479 -9.096 -7.069 1.00 0.00 C ATOM 988 O THR A 66 -1.254 -8.140 -7.119 1.00 0.00 O ATOM 989 CB THR A 66 0.896 -9.839 -5.133 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.150 -9.432 -4.243 1.00 0.00 O ATOM 991 CG2 THR A 66 2.236 -9.748 -4.421 1.00 0.00 C ATOM 0 H THR A 66 0.680 -7.229 -5.232 1.00 0.00 H new ATOM 0 HA THR A 66 1.663 -9.291 -7.073 1.00 0.00 H new ATOM 0 HB THR A 66 0.739 -10.874 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.000 -8.505 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.220 -10.381 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.028 -10.083 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.422 -8.715 -4.127 1.00 0.00 H new ATOM 999 N GLU A 67 -0.763 -10.293 -7.563 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.047 -10.597 -8.181 1.00 0.00 C ATOM 1001 C GLU A 67 -3.179 -10.435 -7.164 1.00 0.00 C ATOM 1002 O GLU A 67 -4.291 -10.034 -7.513 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.013 -12.029 -8.729 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.269 -12.448 -9.471 1.00 0.00 C ATOM 1005 CD GLU A 67 -3.219 -13.901 -9.886 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -2.720 -14.195 -10.995 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.669 -14.763 -9.103 1.00 0.00 O ATOM 0 H GLU A 67 -0.113 -11.079 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.231 -9.903 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.160 -12.128 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.849 -12.718 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.139 -12.281 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.395 -11.822 -10.354 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.873 -10.737 -5.905 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.825 -10.578 -4.812 1.00 0.00 C ATOM 1016 C LYS A 68 -4.244 -9.115 -4.678 1.00 0.00 C ATOM 1017 O LYS A 68 -5.433 -8.796 -4.667 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.198 -11.073 -3.504 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.067 -10.870 -2.269 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.306 -11.752 -2.283 1.00 0.00 C ATOM 1021 CE LYS A 68 -6.150 -11.539 -1.033 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.408 -11.887 0.210 1.00 0.00 N ATOM 0 H LYS A 68 -1.963 -11.097 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.714 -11.171 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.972 -12.135 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.249 -10.558 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.481 -11.085 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.369 -9.824 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.902 -11.532 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.009 -12.799 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.469 -10.498 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.053 -12.146 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.061 -11.874 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.995 -12.836 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.649 -11.193 0.367 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.257 -8.229 -4.592 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.543 -6.812 -4.475 1.00 0.00 C ATOM 1038 C GLY A 69 -4.122 -6.239 -5.754 1.00 0.00 C ATOM 1039 O GLY A 69 -4.979 -5.355 -5.716 1.00 0.00 O ATOM 0 H GLY A 69 -2.265 -8.467 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.244 -6.651 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.628 -6.278 -4.221 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.659 -6.759 -6.883 1.00 0.00 N ATOM 1044 CA GLU A 70 -4.112 -6.307 -8.190 1.00 0.00 C ATOM 1045 C GLU A 70 -5.604 -6.588 -8.365 1.00 0.00 C ATOM 1046 O GLU A 70 -6.363 -5.717 -8.795 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.287 -7.001 -9.280 1.00 0.00 C ATOM 1048 CG GLU A 70 -3.473 -6.420 -10.670 1.00 0.00 C ATOM 1049 CD GLU A 70 -4.308 -7.303 -11.574 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -3.858 -8.424 -11.890 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -5.408 -6.876 -11.987 1.00 0.00 O ATOM 0 H GLU A 70 -2.962 -7.503 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.968 -5.230 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.232 -6.943 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.552 -8.058 -9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.947 -5.442 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.495 -6.264 -11.126 1.00 0.00 H new ATOM 1058 N ASN A 71 -6.027 -7.791 -7.996 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.430 -8.173 -8.113 1.00 0.00 C ATOM 1060 C ASN A 71 -8.285 -7.487 -7.054 1.00 0.00 C ATOM 1061 O ASN A 71 -9.503 -7.378 -7.206 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.601 -9.691 -8.044 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.340 -10.357 -9.381 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -8.257 -10.532 -10.186 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.096 -10.723 -9.632 1.00 0.00 N ATOM 0 H ASN A 71 -5.421 -8.517 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.775 -7.838 -9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.919 -10.098 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.613 -9.927 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.865 -11.169 -10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.366 -10.560 -8.938 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.652 -7.023 -5.983 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.356 -6.231 -4.985 1.00 0.00 C ATOM 1074 C TYR A 72 -8.699 -4.869 -5.576 1.00 0.00 C ATOM 1075 O TYR A 72 -9.836 -4.409 -5.484 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.510 -6.061 -3.717 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.238 -5.344 -2.599 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.077 -6.037 -1.734 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.099 -3.973 -2.418 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.756 -5.382 -0.723 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.771 -3.314 -1.407 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.599 -4.022 -0.564 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.278 -3.363 0.437 1.00 0.00 O ATOM 0 H TYR A 72 -6.664 -7.180 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.272 -6.752 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.196 -7.043 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.605 -5.507 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.200 -7.103 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.454 -3.413 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.407 -5.934 -0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.648 -2.249 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.051 -2.897 0.056 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.711 -4.250 -6.213 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.890 -2.954 -6.857 1.00 0.00 C ATOM 1095 C LEU A 73 -8.954 -3.027 -7.944 1.00 0.00 C ATOM 1096 O LEU A 73 -9.671 -2.062 -8.188 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.571 -2.474 -7.466 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.449 -2.201 -6.465 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.165 -1.842 -7.194 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.848 -1.085 -5.514 1.00 0.00 C ATOM 0 H LEU A 73 -6.768 -4.630 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.215 -2.246 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.225 -3.223 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.762 -1.561 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.276 -3.106 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.375 -1.650 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.870 -2.669 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.327 -0.949 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.039 -0.902 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.046 -0.176 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.747 -1.375 -4.969 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.049 -4.184 -8.589 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.014 -4.389 -9.659 1.00 0.00 C ATOM 1114 C LYS A 74 -11.448 -4.131 -9.186 1.00 0.00 C ATOM 1115 O LYS A 74 -12.160 -3.306 -9.761 1.00 0.00 O ATOM 1116 CB LYS A 74 -9.890 -5.808 -10.217 1.00 0.00 C ATOM 1117 CG LYS A 74 -10.833 -6.091 -11.377 1.00 0.00 C ATOM 1118 CD LYS A 74 -10.668 -7.507 -11.903 1.00 0.00 C ATOM 1119 CE LYS A 74 -10.994 -8.543 -10.838 1.00 0.00 C ATOM 1120 NZ LYS A 74 -10.902 -9.932 -11.360 1.00 0.00 N ATOM 0 H LYS A 74 -8.466 -4.997 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.791 -3.671 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.864 -5.972 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.086 -6.522 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.863 -5.941 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.644 -5.380 -12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.319 -7.653 -12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.644 -7.650 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.309 -8.426 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.000 -8.366 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.691 -10.497 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.950 -9.916 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.000 -10.356 -11.062 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.868 -4.826 -8.136 1.00 0.00 N ATOM 1135 CA GLU A 75 -13.237 -4.695 -7.646 1.00 0.00 C ATOM 1136 C GLU A 75 -13.390 -3.516 -6.682 1.00 0.00 C ATOM 1137 O GLU A 75 -14.437 -2.872 -6.649 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.709 -6.000 -6.999 1.00 0.00 C ATOM 1139 CG GLU A 75 -12.798 -6.529 -5.906 1.00 0.00 C ATOM 1140 CD GLU A 75 -13.298 -7.841 -5.345 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -12.988 -8.897 -5.935 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -14.026 -7.820 -4.333 1.00 0.00 O ATOM 0 H GLU A 75 -11.288 -5.480 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.873 -4.489 -8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.704 -5.844 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.805 -6.761 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.792 -6.664 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.727 -5.794 -5.104 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.345 -3.215 -5.919 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.375 -2.074 -4.999 1.00 0.00 C ATOM 1151 C ASN A 76 -12.114 -0.789 -5.775 1.00 0.00 C ATOM 1152 O ASN A 76 -12.038 0.295 -5.202 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.330 -2.244 -3.889 1.00 0.00 C ATOM 1154 CG ASN A 76 -11.767 -1.648 -2.559 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -12.330 -2.341 -1.712 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -11.518 -0.365 -2.365 1.00 0.00 N ATOM 0 H ASN A 76 -11.470 -3.739 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.359 -2.022 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.122 -3.305 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.397 -1.774 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.795 0.082 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.049 0.179 -3.090 1.00 0.00 H new ATOM 1163 N GLY A 77 -11.976 -0.933 -7.090 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.799 0.209 -7.963 1.00 0.00 C ATOM 1165 C GLY A 77 -13.020 1.100 -8.006 1.00 0.00 C ATOM 1166 O GLY A 77 -12.932 2.256 -8.413 1.00 0.00 O ATOM 0 H GLY A 77 -11.984 -1.833 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.941 0.790 -7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.572 -0.140 -8.970 1.00 0.00 H new ATOM 1170 N THR A 78 -14.167 0.569 -7.601 1.00 0.00 N ATOM 1171 CA THR A 78 -15.361 1.386 -7.494 1.00 0.00 C ATOM 1172 C THR A 78 -15.173 2.407 -6.372 1.00 0.00 C ATOM 1173 O THR A 78 -15.399 3.600 -6.578 1.00 0.00 O ATOM 1174 CB THR A 78 -16.639 0.531 -7.274 1.00 0.00 C ATOM 1175 OG1 THR A 78 -17.787 1.377 -7.149 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.524 -0.356 -6.044 1.00 0.00 C ATOM 0 H THR A 78 -14.292 -0.410 -7.345 1.00 0.00 H new ATOM 0 HA THR A 78 -15.506 1.911 -8.438 1.00 0.00 H new ATOM 0 HB THR A 78 -16.750 -0.114 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.586 0.826 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.439 -0.937 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.677 -1.032 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.373 0.265 -5.161 1.00 0.00 H new ATOM 1184 N TRP A 79 -14.702 1.924 -5.210 1.00 0.00 N ATOM 1185 CA TRP A 79 -14.354 2.773 -4.068 1.00 0.00 C ATOM 1186 C TRP A 79 -15.581 3.500 -3.512 1.00 0.00 C ATOM 1187 O TRP A 79 -16.095 3.153 -2.448 1.00 0.00 O ATOM 1188 CB TRP A 79 -13.238 3.745 -4.487 1.00 0.00 C ATOM 1189 CG TRP A 79 -12.761 4.687 -3.412 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -13.090 4.674 -2.086 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.850 5.781 -3.584 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -12.454 5.701 -1.433 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -11.684 6.389 -2.328 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -11.160 6.308 -4.681 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -10.858 7.492 -2.135 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.339 7.404 -4.490 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -10.195 7.987 -3.225 1.00 0.00 C ATOM 0 H TRP A 79 -14.553 0.929 -5.040 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.983 2.150 -3.254 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.387 3.163 -4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.593 4.335 -5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -13.753 3.960 -1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.542 5.916 -0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.267 5.866 -5.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.744 7.941 -1.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.800 7.817 -5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.548 8.844 -3.107 1.00 0.00 H new ATOM 1208 N SER A 80 -16.036 4.501 -4.231 1.00 0.00 N ATOM 1209 CA SER A 80 -17.229 5.248 -3.867 1.00 0.00 C ATOM 1210 C SER A 80 -17.841 5.850 -5.125 1.00 0.00 C ATOM 1211 O SER A 80 -19.016 5.628 -5.421 1.00 0.00 O ATOM 1212 CB SER A 80 -16.897 6.347 -2.851 1.00 0.00 C ATOM 1213 OG SER A 80 -16.316 5.798 -1.677 1.00 0.00 O ATOM 0 H SER A 80 -15.590 4.825 -5.089 1.00 0.00 H new ATOM 0 HA SER A 80 -17.946 4.573 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.210 7.065 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.804 6.893 -2.591 1.00 0.00 H new ATOM 0 HG SER A 80 -15.374 5.588 -1.846 1.00 0.00 H new ATOM 1219 N LYS A 81 -17.013 6.598 -5.860 1.00 0.00 N ATOM 1220 CA LYS A 81 -17.387 7.180 -7.150 1.00 0.00 C ATOM 1221 C LYS A 81 -18.439 8.275 -6.988 1.00 0.00 C ATOM 1222 O LYS A 81 -18.114 9.465 -7.015 1.00 0.00 O ATOM 1223 CB LYS A 81 -17.887 6.092 -8.111 1.00 0.00 C ATOM 1224 CG LYS A 81 -18.144 6.586 -9.526 1.00 0.00 C ATOM 1225 CD LYS A 81 -18.617 5.460 -10.431 1.00 0.00 C ATOM 1226 CE LYS A 81 -17.640 4.294 -10.425 1.00 0.00 C ATOM 1227 NZ LYS A 81 -18.015 3.245 -11.409 1.00 0.00 N ATOM 0 H LYS A 81 -16.059 6.817 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 81 -16.494 7.638 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -17.153 5.287 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.808 5.666 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -18.893 7.377 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.231 7.022 -9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.598 5.116 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.733 5.834 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.638 4.660 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.603 3.858 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.323 2.470 -11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.960 2.876 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.025 3.654 -12.365 1.00 0.00 H new ATOM 1241 N ALA A 82 -19.680 7.857 -6.786 1.00 0.00 N ATOM 1242 CA ALA A 82 -20.828 8.750 -6.714 1.00 0.00 C ATOM 1243 C ALA A 82 -22.075 7.919 -6.447 1.00 0.00 C ATOM 1244 O ALA A 82 -21.968 6.740 -6.124 1.00 0.00 O ATOM 1245 CB ALA A 82 -20.986 9.532 -8.012 1.00 0.00 C ATOM 0 H ALA A 82 -19.922 6.873 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 82 -20.678 9.468 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -21.850 10.193 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -20.089 10.126 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -21.132 8.838 -8.840 1.00 0.00 H new TER 1251 ALA A 82