USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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 Single : A 1 GLY N :NH3+ -125:sc= 0.0737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.107 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -0.0326 (180deg=-0.281) USER MOD Single : A 26 CYS SG : rot 16:sc= 0.187 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.663 (180deg=-1.15) USER MOD Single : A 29 CYS SG : rot -31:sc= -0.522 USER MOD Single : A 32 SER OG : rot -38:sc= 1.03 USER MOD Single : A 34 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.0784 (180deg=-0.0784) USER MOD Single : A 40 THR OG1 : rot 16:sc= -0.134 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc=-0.00722 (180deg=-1.47!) USER MOD Single : A 42 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.93) USER MOD Single : A 47 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.56) USER MOD Single : A 49 SER OG : rot 10:sc= 1.15 USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -2.95! (180deg=-6.04!) USER MOD Single : A 56 GLN : amide:sc= -2.25! C(o=-2.2!,f=-7.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0834 X(o=-0.083,f=-0.083) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 116:sc= 0.567 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 86 THR OG1 : rot 42:sc= 0.00979 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.7) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 22:sc= 0.332 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.377 -9.075 30.023 1.00 0.00 N ATOM 2 CA GLY A 1 -22.752 -7.804 29.708 1.00 0.00 C ATOM 3 C GLY A 1 -23.113 -7.308 28.321 1.00 0.00 C ATOM 4 O GLY A 1 -24.065 -7.792 27.710 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.916 -8.987 30.908 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.020 -9.346 29.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.644 -9.804 30.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.054 -7.061 30.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.669 -7.906 29.784 1.00 0.00 H new ATOM 8 N SER A 2 -22.351 -6.340 27.824 1.00 0.00 N ATOM 9 CA SER A 2 -22.598 -5.774 26.503 1.00 0.00 C ATOM 10 C SER A 2 -22.106 -6.716 25.408 1.00 0.00 C ATOM 11 O SER A 2 -20.926 -6.714 25.056 1.00 0.00 O ATOM 12 CB SER A 2 -21.909 -4.415 26.370 1.00 0.00 C ATOM 13 OG SER A 2 -22.493 -3.460 27.239 1.00 0.00 O ATOM 0 H SER A 2 -21.557 -5.931 28.316 1.00 0.00 H new ATOM 0 HA SER A 2 -23.674 -5.641 26.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.848 -4.518 26.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.981 -4.066 25.340 1.00 0.00 H new ATOM 0 HG SER A 2 -22.034 -2.600 27.136 1.00 0.00 H new ATOM 19 N SER A 3 -23.019 -7.520 24.874 1.00 0.00 N ATOM 20 CA SER A 3 -22.679 -8.471 23.822 1.00 0.00 C ATOM 21 C SER A 3 -22.656 -7.787 22.458 1.00 0.00 C ATOM 22 O SER A 3 -23.701 -7.457 21.899 1.00 0.00 O ATOM 23 CB SER A 3 -23.680 -9.628 23.807 1.00 0.00 C ATOM 24 OG SER A 3 -23.368 -10.585 24.805 1.00 0.00 O ATOM 0 H SER A 3 -24.000 -7.532 25.152 1.00 0.00 H new ATOM 0 HA SER A 3 -21.684 -8.864 24.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.687 -9.244 23.969 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.675 -10.105 22.827 1.00 0.00 H new ATOM 0 HG SER A 3 -24.023 -11.313 24.776 1.00 0.00 H new ATOM 30 N GLY A 4 -21.454 -7.576 21.929 1.00 0.00 N ATOM 31 CA GLY A 4 -21.316 -6.933 20.635 1.00 0.00 C ATOM 32 C GLY A 4 -19.888 -6.516 20.345 1.00 0.00 C ATOM 33 O GLY A 4 -19.199 -5.985 21.217 1.00 0.00 O ATOM 0 H GLY A 4 -20.574 -7.839 22.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.658 -7.614 19.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.962 -6.056 20.598 1.00 0.00 H new ATOM 37 N SER A 5 -19.440 -6.758 19.117 1.00 0.00 N ATOM 38 CA SER A 5 -18.082 -6.409 18.716 1.00 0.00 C ATOM 39 C SER A 5 -17.843 -4.908 18.855 1.00 0.00 C ATOM 40 O SER A 5 -18.783 -4.133 19.029 1.00 0.00 O ATOM 41 CB SER A 5 -17.826 -6.847 17.273 1.00 0.00 C ATOM 42 OG SER A 5 -17.663 -8.252 17.187 1.00 0.00 O ATOM 0 H SER A 5 -19.998 -7.194 18.383 1.00 0.00 H new ATOM 0 HA SER A 5 -17.389 -6.932 19.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.658 -6.535 16.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.934 -6.350 16.892 1.00 0.00 H new ATOM 0 HG SER A 5 -17.502 -8.506 16.254 1.00 0.00 H new ATOM 48 N SER A 6 -16.579 -4.507 18.775 1.00 0.00 N ATOM 49 CA SER A 6 -16.214 -3.100 18.896 1.00 0.00 C ATOM 50 C SER A 6 -16.058 -2.460 17.520 1.00 0.00 C ATOM 51 O SER A 6 -16.520 -1.344 17.286 1.00 0.00 O ATOM 52 CB SER A 6 -14.915 -2.954 19.689 1.00 0.00 C ATOM 53 OG SER A 6 -13.804 -3.412 18.937 1.00 0.00 O ATOM 0 H SER A 6 -15.790 -5.136 18.627 1.00 0.00 H new ATOM 0 HA SER A 6 -17.015 -2.587 19.428 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.767 -1.909 19.962 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.987 -3.519 20.618 1.00 0.00 H new ATOM 0 HG SER A 6 -12.985 -3.306 19.465 1.00 0.00 H new ATOM 59 N GLY A 7 -15.404 -3.177 16.611 1.00 0.00 N ATOM 60 CA GLY A 7 -15.197 -2.664 15.269 1.00 0.00 C ATOM 61 C GLY A 7 -13.925 -3.191 14.636 1.00 0.00 C ATOM 62 O GLY A 7 -13.412 -4.238 15.034 1.00 0.00 O ATOM 0 H GLY A 7 -15.014 -4.104 16.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.049 -2.934 14.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.159 -1.575 15.302 1.00 0.00 H new ATOM 66 N LEU A 8 -13.414 -2.466 13.647 1.00 0.00 N ATOM 67 CA LEU A 8 -12.194 -2.868 12.955 1.00 0.00 C ATOM 68 C LEU A 8 -10.958 -2.447 13.744 1.00 0.00 C ATOM 69 O LEU A 8 -10.790 -1.274 14.076 1.00 0.00 O ATOM 70 CB LEU A 8 -12.153 -2.255 11.555 1.00 0.00 C ATOM 71 CG LEU A 8 -10.855 -2.456 10.772 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.853 -3.811 10.081 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.664 -1.338 9.758 1.00 0.00 C ATOM 0 H LEU A 8 -13.825 -1.597 13.306 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.195 -3.955 12.869 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.974 -2.674 10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.339 -1.185 11.643 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.022 -2.428 11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.922 -3.936 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.941 -4.600 10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.695 -3.869 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.735 -1.498 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.501 -1.333 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.619 -0.380 10.277 1.00 0.00 H new ATOM 85 N LYS A 9 -10.094 -3.412 14.039 1.00 0.00 N ATOM 86 CA LYS A 9 -8.870 -3.143 14.785 1.00 0.00 C ATOM 87 C LYS A 9 -7.655 -3.161 13.863 1.00 0.00 C ATOM 88 O LYS A 9 -7.642 -3.865 12.852 1.00 0.00 O ATOM 89 CB LYS A 9 -8.692 -4.175 15.901 1.00 0.00 C ATOM 90 CG LYS A 9 -9.617 -3.956 17.085 1.00 0.00 C ATOM 91 CD LYS A 9 -9.221 -4.821 18.270 1.00 0.00 C ATOM 92 CE LYS A 9 -8.062 -4.211 19.042 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.549 -5.133 20.093 1.00 0.00 N ATOM 0 H LYS A 9 -10.219 -4.389 13.773 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.954 -2.150 15.226 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.866 -5.171 15.494 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.659 -4.148 16.248 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.594 -2.906 17.376 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.642 -4.184 16.794 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.077 -4.945 18.934 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.943 -5.815 17.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.256 -3.963 18.351 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.384 -3.278 19.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.760 -4.680 20.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.311 -5.350 20.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.218 -6.014 19.650 1.00 0.00 H new ATOM 107 N ILE A 10 -6.637 -2.385 14.218 1.00 0.00 N ATOM 108 CA ILE A 10 -5.417 -2.314 13.423 1.00 0.00 C ATOM 109 C ILE A 10 -4.296 -3.125 14.064 1.00 0.00 C ATOM 110 O ILE A 10 -3.660 -2.678 15.019 1.00 0.00 O ATOM 111 CB ILE A 10 -4.946 -0.859 13.243 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.034 -0.027 12.562 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.656 -0.816 12.437 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.046 0.550 13.527 1.00 0.00 C ATOM 0 H ILE A 10 -6.633 -1.796 15.051 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.652 -2.734 12.445 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.752 -0.432 14.227 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.565 0.787 12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.553 -0.649 11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.336 0.219 12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.882 -1.378 12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.825 -1.258 11.455 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.787 1.128 12.975 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.542 -0.260 14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.539 1.199 14.241 1.00 0.00 H new ATOM 126 N LEU A 11 -4.058 -4.318 13.531 1.00 0.00 N ATOM 127 CA LEU A 11 -3.011 -5.192 14.049 1.00 0.00 C ATOM 128 C LEU A 11 -1.629 -4.674 13.664 1.00 0.00 C ATOM 129 O LEU A 11 -0.815 -4.342 14.527 1.00 0.00 O ATOM 130 CB LEU A 11 -3.200 -6.616 13.522 1.00 0.00 C ATOM 131 CG LEU A 11 -4.508 -7.307 13.909 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.644 -8.636 13.184 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.578 -7.509 15.416 1.00 0.00 C ATOM 0 H LEU A 11 -4.576 -4.702 12.741 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.085 -5.201 15.136 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.134 -6.591 12.434 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.371 -7.227 13.878 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.338 -6.667 13.609 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.581 -9.113 13.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.640 -8.465 12.107 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.809 -9.284 13.452 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.515 -8.002 15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.741 -8.128 15.739 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.528 -6.542 15.916 1.00 0.00 H new ATOM 145 N THR A 12 -1.370 -4.605 12.362 1.00 0.00 N ATOM 146 CA THR A 12 -0.087 -4.127 11.862 1.00 0.00 C ATOM 147 C THR A 12 -0.278 -3.046 10.804 1.00 0.00 C ATOM 148 O THR A 12 -0.360 -3.323 9.607 1.00 0.00 O ATOM 149 CB THR A 12 0.746 -5.275 11.262 1.00 0.00 C ATOM 150 OG1 THR A 12 0.874 -6.337 12.215 1.00 0.00 O ATOM 151 CG2 THR A 12 2.126 -4.785 10.852 1.00 0.00 C ATOM 0 H THR A 12 -2.032 -4.874 11.634 1.00 0.00 H new ATOM 0 HA THR A 12 0.448 -3.708 12.714 1.00 0.00 H new ATOM 0 HB THR A 12 0.231 -5.644 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.403 -7.064 11.826 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.696 -5.613 10.431 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.025 -3.997 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.647 -4.393 11.725 1.00 0.00 H new ATOM 159 N PRO A 13 -0.351 -1.784 11.253 1.00 0.00 N ATOM 160 CA PRO A 13 -0.532 -0.636 10.360 1.00 0.00 C ATOM 161 C PRO A 13 0.702 -0.365 9.506 1.00 0.00 C ATOM 162 O PRO A 13 1.833 -0.569 9.950 1.00 0.00 O ATOM 163 CB PRO A 13 -0.782 0.527 11.323 1.00 0.00 C ATOM 164 CG PRO A 13 -0.123 0.114 12.594 1.00 0.00 C ATOM 165 CD PRO A 13 -0.262 -1.381 12.666 1.00 0.00 C ATOM 0 HA PRO A 13 -1.340 -0.798 9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.358 1.456 10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.849 0.699 11.468 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.926 0.409 12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.596 0.592 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.593 -1.841 13.162 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.150 -1.675 13.225 1.00 0.00 H new ATOM 173 N LEU A 14 0.479 0.096 8.281 1.00 0.00 N ATOM 174 CA LEU A 14 1.574 0.396 7.365 1.00 0.00 C ATOM 175 C LEU A 14 2.577 1.348 8.008 1.00 0.00 C ATOM 176 O LEU A 14 2.197 2.300 8.690 1.00 0.00 O ATOM 177 CB LEU A 14 1.030 1.007 6.072 1.00 0.00 C ATOM 178 CG LEU A 14 -0.076 0.219 5.370 1.00 0.00 C ATOM 179 CD1 LEU A 14 -1.000 1.157 4.610 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.521 -0.820 4.432 1.00 0.00 C ATOM 0 H LEU A 14 -0.450 0.270 7.898 1.00 0.00 H new ATOM 0 HA LEU A 14 2.086 -0.538 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.651 2.004 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.859 1.130 5.375 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.662 -0.300 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.781 0.578 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.455 1.862 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.427 1.705 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.281 -1.371 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.132 -0.322 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.140 -1.512 5.003 1.00 0.00 H new ATOM 192 N THR A 15 3.861 1.086 7.785 1.00 0.00 N ATOM 193 CA THR A 15 4.919 1.920 8.341 1.00 0.00 C ATOM 194 C THR A 15 5.750 2.563 7.237 1.00 0.00 C ATOM 195 O THR A 15 5.908 1.996 6.156 1.00 0.00 O ATOM 196 CB THR A 15 5.849 1.107 9.261 1.00 0.00 C ATOM 197 OG1 THR A 15 6.419 0.011 8.537 1.00 0.00 O ATOM 198 CG2 THR A 15 5.090 0.581 10.471 1.00 0.00 C ATOM 0 H THR A 15 4.193 0.302 7.223 1.00 0.00 H new ATOM 0 HA THR A 15 4.432 2.700 8.926 1.00 0.00 H new ATOM 0 HB THR A 15 6.645 1.766 9.609 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.010 -0.500 9.129 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.768 0.010 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.682 1.419 11.037 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.276 -0.063 10.138 1.00 0.00 H new ATOM 206 N ASP A 16 6.280 3.748 7.517 1.00 0.00 N ATOM 207 CA ASP A 16 7.098 4.468 6.548 1.00 0.00 C ATOM 208 C ASP A 16 8.169 3.557 5.957 1.00 0.00 C ATOM 209 O ASP A 16 8.973 2.977 6.685 1.00 0.00 O ATOM 210 CB ASP A 16 7.751 5.686 7.204 1.00 0.00 C ATOM 211 CG ASP A 16 8.439 5.340 8.509 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.518 4.713 8.463 1.00 0.00 O ATOM 213 OD2 ASP A 16 7.899 5.696 9.578 1.00 0.00 O ATOM 0 H ASP A 16 6.158 4.231 8.407 1.00 0.00 H new ATOM 0 HA ASP A 16 6.448 4.805 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.478 6.119 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.992 6.447 7.387 1.00 0.00 H new ATOM 218 N GLN A 17 8.172 3.436 4.633 1.00 0.00 N ATOM 219 CA GLN A 17 9.143 2.594 3.945 1.00 0.00 C ATOM 220 C GLN A 17 9.961 3.409 2.948 1.00 0.00 C ATOM 221 O GLN A 17 9.424 3.942 1.977 1.00 0.00 O ATOM 222 CB GLN A 17 8.434 1.446 3.224 1.00 0.00 C ATOM 223 CG GLN A 17 8.068 0.288 4.137 1.00 0.00 C ATOM 224 CD GLN A 17 9.282 -0.361 4.773 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.405 -0.209 4.291 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.062 -1.089 5.861 1.00 0.00 N ATOM 0 H GLN A 17 7.513 3.910 4.016 1.00 0.00 H new ATOM 0 HA GLN A 17 9.821 2.181 4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.528 1.828 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.077 1.078 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.400 0.645 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.518 -0.460 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.115 -1.188 6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.840 -1.550 6.332 1.00 0.00 H new ATOM 235 N THR A 18 11.264 3.501 3.195 1.00 0.00 N ATOM 236 CA THR A 18 12.156 4.252 2.321 1.00 0.00 C ATOM 237 C THR A 18 13.209 3.343 1.698 1.00 0.00 C ATOM 238 O THR A 18 13.943 2.651 2.404 1.00 0.00 O ATOM 239 CB THR A 18 12.862 5.390 3.082 1.00 0.00 C ATOM 240 OG1 THR A 18 11.891 6.254 3.682 1.00 0.00 O ATOM 241 CG2 THR A 18 13.755 6.193 2.148 1.00 0.00 C ATOM 0 H THR A 18 11.725 3.065 3.993 1.00 0.00 H new ATOM 0 HA THR A 18 11.538 4.681 1.532 1.00 0.00 H new ATOM 0 HB THR A 18 13.483 4.946 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.348 6.974 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.243 6.991 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.511 5.538 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.151 6.626 1.350 1.00 0.00 H new ATOM 249 N VAL A 19 13.279 3.349 0.371 1.00 0.00 N ATOM 250 CA VAL A 19 14.244 2.525 -0.348 1.00 0.00 C ATOM 251 C VAL A 19 15.008 3.348 -1.380 1.00 0.00 C ATOM 252 O VAL A 19 14.690 4.512 -1.619 1.00 0.00 O ATOM 253 CB VAL A 19 13.556 1.343 -1.057 1.00 0.00 C ATOM 254 CG1 VAL A 19 12.983 0.370 -0.038 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.469 1.845 -1.996 1.00 0.00 C ATOM 0 H VAL A 19 12.679 3.915 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 19 14.943 2.137 0.393 1.00 0.00 H new ATOM 0 HB VAL A 19 14.302 0.814 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.501 -0.458 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.787 -0.014 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.250 0.884 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.993 0.997 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.723 2.399 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.911 2.500 -2.747 1.00 0.00 H new ATOM 265 N ASN A 20 16.016 2.733 -1.989 1.00 0.00 N ATOM 266 CA ASN A 20 16.826 3.408 -2.997 1.00 0.00 C ATOM 267 C ASN A 20 16.275 3.155 -4.397 1.00 0.00 C ATOM 268 O ASN A 20 15.936 2.025 -4.748 1.00 0.00 O ATOM 269 CB ASN A 20 18.279 2.935 -2.915 1.00 0.00 C ATOM 270 CG ASN A 20 18.901 3.211 -1.560 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.328 2.880 -0.522 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.081 3.820 -1.564 1.00 0.00 N ATOM 0 H ASN A 20 16.292 1.769 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 20 16.788 4.479 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.322 1.865 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.864 3.432 -3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.549 4.031 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.520 4.076 -2.448 1.00 0.00 H new ATOM 279 N LEU A 21 16.189 4.215 -5.193 1.00 0.00 N ATOM 280 CA LEU A 21 15.680 4.109 -6.556 1.00 0.00 C ATOM 281 C LEU A 21 16.086 2.781 -7.187 1.00 0.00 C ATOM 282 O LEU A 21 17.248 2.381 -7.123 1.00 0.00 O ATOM 283 CB LEU A 21 16.198 5.270 -7.407 1.00 0.00 C ATOM 284 CG LEU A 21 15.581 5.409 -8.799 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.314 6.248 -8.740 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.583 6.021 -9.767 1.00 0.00 C ATOM 0 H LEU A 21 16.465 5.158 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 21 14.592 4.154 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.028 6.198 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.277 5.159 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 21 15.317 4.415 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.889 6.336 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.591 5.769 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.552 7.241 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 16.127 6.113 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.877 7.008 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.463 5.381 -9.832 1.00 0.00 H new ATOM 298 N GLY A 22 15.120 2.102 -7.798 1.00 0.00 N ATOM 299 CA GLY A 22 15.397 0.827 -8.433 1.00 0.00 C ATOM 300 C GLY A 22 15.054 -0.351 -7.543 1.00 0.00 C ATOM 301 O GLY A 22 14.645 -1.407 -8.027 1.00 0.00 O ATOM 0 H GLY A 22 14.151 2.412 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.829 0.755 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.452 0.780 -8.702 1.00 0.00 H new ATOM 305 N LYS A 23 15.224 -0.173 -6.237 1.00 0.00 N ATOM 306 CA LYS A 23 14.931 -1.229 -5.276 1.00 0.00 C ATOM 307 C LYS A 23 13.460 -1.630 -5.339 1.00 0.00 C ATOM 308 O LYS A 23 12.623 -0.874 -5.831 1.00 0.00 O ATOM 309 CB LYS A 23 15.285 -0.771 -3.860 1.00 0.00 C ATOM 310 CG LYS A 23 16.762 -0.900 -3.530 1.00 0.00 C ATOM 311 CD LYS A 23 16.985 -1.118 -2.043 1.00 0.00 C ATOM 312 CE LYS A 23 18.264 -1.897 -1.780 1.00 0.00 C ATOM 313 NZ LYS A 23 18.150 -3.317 -2.215 1.00 0.00 N ATOM 0 H LYS A 23 15.564 0.694 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 23 15.538 -2.097 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.984 0.269 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.709 -1.356 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.189 -1.733 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.287 0.000 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.034 -0.154 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.136 -1.657 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.093 -1.422 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.498 -1.861 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.862 -3.890 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.200 -3.674 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.308 -3.380 -3.241 1.00 0.00 H new ATOM 327 N GLU A 24 13.154 -2.822 -4.837 1.00 0.00 N ATOM 328 CA GLU A 24 11.784 -3.321 -4.837 1.00 0.00 C ATOM 329 C GLU A 24 11.060 -2.922 -3.554 1.00 0.00 C ATOM 330 O GLU A 24 11.307 -3.488 -2.488 1.00 0.00 O ATOM 331 CB GLU A 24 11.772 -4.843 -4.990 1.00 0.00 C ATOM 332 CG GLU A 24 10.380 -5.450 -4.931 1.00 0.00 C ATOM 333 CD GLU A 24 10.404 -6.966 -4.926 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.793 -7.557 -5.954 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.035 -7.561 -3.892 1.00 0.00 O ATOM 0 H GLU A 24 13.836 -3.460 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 24 11.262 -2.874 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.235 -5.108 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.385 -5.284 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.871 -5.096 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.800 -5.102 -5.786 1.00 0.00 H new ATOM 342 N ILE A 25 10.167 -1.944 -3.665 1.00 0.00 N ATOM 343 CA ILE A 25 9.408 -1.470 -2.515 1.00 0.00 C ATOM 344 C ILE A 25 8.549 -2.585 -1.925 1.00 0.00 C ATOM 345 O ILE A 25 8.195 -3.541 -2.616 1.00 0.00 O ATOM 346 CB ILE A 25 8.501 -0.283 -2.889 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.336 0.986 -3.074 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.437 -0.072 -1.823 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.689 2.008 -3.983 1.00 0.00 C ATOM 0 H ILE A 25 9.952 -1.465 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 25 10.135 -1.142 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 25 8.003 -0.509 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.514 1.440 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.310 0.714 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.804 0.770 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.827 -0.971 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.916 0.136 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.336 2.881 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.536 1.572 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.728 2.309 -3.566 1.00 0.00 H new ATOM 361 N CYS A 26 8.217 -2.454 -0.646 1.00 0.00 N ATOM 362 CA CYS A 26 7.398 -3.450 0.037 1.00 0.00 C ATOM 363 C CYS A 26 6.528 -2.798 1.106 1.00 0.00 C ATOM 364 O CYS A 26 6.943 -1.839 1.759 1.00 0.00 O ATOM 365 CB CYS A 26 8.285 -4.523 0.668 1.00 0.00 C ATOM 366 SG CYS A 26 9.188 -3.967 2.133 1.00 0.00 S ATOM 0 H CYS A 26 8.502 -1.669 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 26 6.746 -3.916 -0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.666 -5.378 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.001 -4.871 -0.076 1.00 0.00 H new ATOM 0 HG CYS A 26 8.664 -2.861 2.572 1.00 0.00 H new ATOM 372 N LEU A 27 5.320 -3.322 1.279 1.00 0.00 N ATOM 373 CA LEU A 27 4.390 -2.790 2.269 1.00 0.00 C ATOM 374 C LEU A 27 3.427 -3.872 2.748 1.00 0.00 C ATOM 375 O LEU A 27 2.647 -4.415 1.966 1.00 0.00 O ATOM 376 CB LEU A 27 3.604 -1.617 1.681 1.00 0.00 C ATOM 377 CG LEU A 27 4.402 -0.339 1.418 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.573 0.654 0.619 1.00 0.00 C ATOM 379 CD2 LEU A 27 4.863 0.281 2.729 1.00 0.00 C ATOM 0 H LEU A 27 4.961 -4.115 0.747 1.00 0.00 H new ATOM 0 HA LEU A 27 4.969 -2.440 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.155 -1.941 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.786 -1.377 2.360 1.00 0.00 H new ATOM 0 HG LEU A 27 5.284 -0.599 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.158 1.557 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.294 0.209 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.672 0.909 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.429 1.189 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.995 0.526 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.496 -0.427 3.264 1.00 0.00 H new ATOM 391 N LYS A 28 3.486 -4.179 4.040 1.00 0.00 N ATOM 392 CA LYS A 28 2.618 -5.194 4.626 1.00 0.00 C ATOM 393 C LYS A 28 1.731 -4.590 5.711 1.00 0.00 C ATOM 394 O LYS A 28 2.158 -3.705 6.453 1.00 0.00 O ATOM 395 CB LYS A 28 3.454 -6.334 5.212 1.00 0.00 C ATOM 396 CG LYS A 28 2.716 -7.659 5.276 1.00 0.00 C ATOM 397 CD LYS A 28 3.678 -8.828 5.399 1.00 0.00 C ATOM 398 CE LYS A 28 2.936 -10.152 5.511 1.00 0.00 C ATOM 399 NZ LYS A 28 2.393 -10.369 6.880 1.00 0.00 N ATOM 0 H LYS A 28 4.126 -3.739 4.701 1.00 0.00 H new ATOM 0 HA LYS A 28 1.979 -5.590 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.355 -6.458 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.776 -6.058 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.035 -7.656 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.107 -7.781 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.337 -8.851 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.311 -8.689 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.120 -10.173 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.610 -10.969 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.123 -11.367 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.119 -10.125 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.557 -9.767 7.021 1.00 0.00 H new ATOM 413 N CYS A 29 0.498 -5.075 5.797 1.00 0.00 N ATOM 414 CA CYS A 29 -0.449 -4.583 6.792 1.00 0.00 C ATOM 415 C CYS A 29 -1.454 -5.667 7.169 1.00 0.00 C ATOM 416 O CYS A 29 -2.008 -6.340 6.301 1.00 0.00 O ATOM 417 CB CYS A 29 -1.183 -3.351 6.263 1.00 0.00 C ATOM 418 SG CYS A 29 -1.969 -3.595 4.653 1.00 0.00 S ATOM 0 H CYS A 29 0.130 -5.808 5.191 1.00 0.00 H new ATOM 0 HA CYS A 29 0.111 -4.306 7.685 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.944 -3.056 6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.476 -2.524 6.189 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.281 -4.454 3.960 1.00 0.00 H new ATOM 424 N GLU A 30 -1.682 -5.830 8.468 1.00 0.00 N ATOM 425 CA GLU A 30 -2.619 -6.834 8.958 1.00 0.00 C ATOM 426 C GLU A 30 -3.781 -6.178 9.700 1.00 0.00 C ATOM 427 O GLU A 30 -3.600 -5.181 10.399 1.00 0.00 O ATOM 428 CB GLU A 30 -1.904 -7.823 9.881 1.00 0.00 C ATOM 429 CG GLU A 30 -2.659 -9.127 10.078 1.00 0.00 C ATOM 430 CD GLU A 30 -1.836 -10.175 10.801 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.997 -9.793 11.644 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.030 -11.377 10.523 1.00 0.00 O ATOM 0 H GLU A 30 -1.231 -5.280 9.200 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.017 -7.373 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.918 -8.042 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.748 -7.353 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.570 -8.933 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.963 -9.516 9.107 1.00 0.00 H new ATOM 439 N ILE A 31 -4.972 -6.745 9.541 1.00 0.00 N ATOM 440 CA ILE A 31 -6.162 -6.217 10.195 1.00 0.00 C ATOM 441 C ILE A 31 -6.944 -7.325 10.892 1.00 0.00 C ATOM 442 O ILE A 31 -6.735 -8.508 10.626 1.00 0.00 O ATOM 443 CB ILE A 31 -7.087 -5.505 9.190 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.274 -6.364 7.938 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.522 -4.141 8.823 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.311 -5.820 6.980 1.00 0.00 C ATOM 0 H ILE A 31 -5.138 -7.570 8.965 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.820 -5.495 10.937 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.061 -5.359 9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.319 -6.447 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.562 -7.371 8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.187 -3.651 8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.436 -3.529 9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.537 -4.264 8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.390 -6.480 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.276 -5.763 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.015 -4.824 6.650 1.00 0.00 H new ATOM 458 N SER A 32 -7.847 -6.933 11.784 1.00 0.00 N ATOM 459 CA SER A 32 -8.660 -7.893 12.522 1.00 0.00 C ATOM 460 C SER A 32 -9.879 -8.313 11.706 1.00 0.00 C ATOM 461 O SER A 32 -10.837 -8.868 12.243 1.00 0.00 O ATOM 462 CB SER A 32 -9.108 -7.295 13.857 1.00 0.00 C ATOM 463 OG SER A 32 -9.846 -8.237 14.616 1.00 0.00 O ATOM 0 H SER A 32 -8.035 -5.957 12.014 1.00 0.00 H new ATOM 0 HA SER A 32 -8.050 -8.776 12.714 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.236 -6.970 14.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.719 -6.411 13.676 1.00 0.00 H new ATOM 0 HG SER A 32 -10.415 -8.765 14.018 1.00 0.00 H new ATOM 469 N GLU A 33 -9.834 -8.043 10.405 1.00 0.00 N ATOM 470 CA GLU A 33 -10.935 -8.392 9.515 1.00 0.00 C ATOM 471 C GLU A 33 -10.413 -9.019 8.225 1.00 0.00 C ATOM 472 O GLU A 33 -9.257 -8.827 7.852 1.00 0.00 O ATOM 473 CB GLU A 33 -11.770 -7.152 9.190 1.00 0.00 C ATOM 474 CG GLU A 33 -12.899 -6.903 10.176 1.00 0.00 C ATOM 475 CD GLU A 33 -13.736 -5.693 9.812 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.862 -5.401 8.604 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.265 -5.037 10.734 1.00 0.00 O ATOM 0 H GLU A 33 -9.048 -7.584 9.945 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.564 -9.121 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.117 -6.279 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.189 -7.259 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.540 -7.784 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.481 -6.764 11.173 1.00 0.00 H new ATOM 484 N ASN A 34 -11.276 -9.771 7.549 1.00 0.00 N ATOM 485 CA ASN A 34 -10.903 -10.429 6.301 1.00 0.00 C ATOM 486 C ASN A 34 -11.739 -9.903 5.139 1.00 0.00 C ATOM 487 O ASN A 34 -12.654 -10.578 4.665 1.00 0.00 O ATOM 488 CB ASN A 34 -11.077 -11.943 6.427 1.00 0.00 C ATOM 489 CG ASN A 34 -10.555 -12.688 5.213 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.681 -12.219 4.082 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.965 -13.855 5.444 1.00 0.00 N ATOM 0 H ASN A 34 -12.238 -9.940 7.844 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.855 -10.207 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.555 -12.293 7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.133 -12.174 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.594 -14.402 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.883 -14.205 6.399 1.00 0.00 H new ATOM 498 N ILE A 35 -11.418 -8.697 4.683 1.00 0.00 N ATOM 499 CA ILE A 35 -12.138 -8.083 3.575 1.00 0.00 C ATOM 500 C ILE A 35 -11.175 -7.457 2.573 1.00 0.00 C ATOM 501 O ILE A 35 -10.081 -7.011 2.921 1.00 0.00 O ATOM 502 CB ILE A 35 -13.119 -7.003 4.071 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.372 -5.931 4.867 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.215 -7.632 4.917 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.990 -4.555 4.756 1.00 0.00 C ATOM 0 H ILE A 35 -10.664 -8.126 5.064 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.701 -8.878 3.086 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.582 -6.529 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.343 -6.224 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.340 -5.886 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.900 -6.857 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.762 -8.361 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.769 -8.129 5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.408 -3.846 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.994 -4.241 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.013 -4.584 5.130 1.00 0.00 H new ATOM 517 N PRO A 36 -11.589 -7.419 1.298 1.00 0.00 N ATOM 518 CA PRO A 36 -10.778 -6.847 0.218 1.00 0.00 C ATOM 519 C PRO A 36 -10.656 -5.331 0.326 1.00 0.00 C ATOM 520 O PRO A 36 -11.653 -4.613 0.267 1.00 0.00 O ATOM 521 CB PRO A 36 -11.549 -7.233 -1.047 1.00 0.00 C ATOM 522 CG PRO A 36 -12.958 -7.404 -0.594 1.00 0.00 C ATOM 523 CD PRO A 36 -12.881 -7.931 0.812 1.00 0.00 C ATOM 0 HA PRO A 36 -9.753 -7.217 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.470 -6.459 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.159 -8.153 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.496 -6.456 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.495 -8.097 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.710 -7.572 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.916 -9.020 0.835 1.00 0.00 H new ATOM 531 N GLY A 37 -9.427 -4.851 0.484 1.00 0.00 N ATOM 532 CA GLY A 37 -9.197 -3.422 0.597 1.00 0.00 C ATOM 533 C GLY A 37 -8.610 -2.827 -0.668 1.00 0.00 C ATOM 534 O GLY A 37 -8.410 -3.530 -1.659 1.00 0.00 O ATOM 0 H GLY A 37 -8.586 -5.426 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.138 -2.923 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.523 -3.231 1.432 1.00 0.00 H new ATOM 538 N LYS A 38 -8.334 -1.528 -0.636 1.00 0.00 N ATOM 539 CA LYS A 38 -7.767 -0.837 -1.788 1.00 0.00 C ATOM 540 C LYS A 38 -6.697 0.158 -1.353 1.00 0.00 C ATOM 541 O LYS A 38 -6.718 0.653 -0.226 1.00 0.00 O ATOM 542 CB LYS A 38 -8.868 -0.111 -2.566 1.00 0.00 C ATOM 543 CG LYS A 38 -8.411 0.418 -3.914 1.00 0.00 C ATOM 544 CD LYS A 38 -9.589 0.697 -4.832 1.00 0.00 C ATOM 545 CE LYS A 38 -10.179 2.076 -4.579 1.00 0.00 C ATOM 546 NZ LYS A 38 -9.453 3.136 -5.331 1.00 0.00 N ATOM 0 H LYS A 38 -8.494 -0.932 0.176 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.304 -1.582 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.705 -0.793 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.238 0.720 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.836 1.333 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.746 -0.307 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.268 0.623 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.357 -0.062 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.230 2.080 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.141 2.297 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.885 4.061 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.456 3.149 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.510 2.939 -6.351 1.00 0.00 H new ATOM 560 N TRP A 39 -5.764 0.447 -2.253 1.00 0.00 N ATOM 561 CA TRP A 39 -4.686 1.385 -1.961 1.00 0.00 C ATOM 562 C TRP A 39 -4.902 2.707 -2.690 1.00 0.00 C ATOM 563 O TRP A 39 -5.616 2.766 -3.691 1.00 0.00 O ATOM 564 CB TRP A 39 -3.337 0.784 -2.360 1.00 0.00 C ATOM 565 CG TRP A 39 -3.069 -0.547 -1.724 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.709 -1.724 -1.986 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.090 -0.835 -0.719 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.187 -2.727 -1.204 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.192 -2.207 -0.419 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.136 -0.067 -0.046 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.378 -2.825 0.526 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.328 -0.682 0.892 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.453 -2.050 1.170 1.00 0.00 C ATOM 0 H TRP A 39 -5.732 0.046 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.687 1.578 -0.888 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.302 0.674 -3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.542 1.477 -2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.508 -1.849 -2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.491 -3.701 -1.208 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.032 0.987 -0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.473 -3.879 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.412 -0.099 1.419 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.194 -2.501 1.908 1.00 0.00 H new ATOM 584 N THR A 40 -4.281 3.767 -2.181 1.00 0.00 N ATOM 585 CA THR A 40 -4.407 5.088 -2.783 1.00 0.00 C ATOM 586 C THR A 40 -3.113 5.882 -2.642 1.00 0.00 C ATOM 587 O THR A 40 -2.494 5.896 -1.578 1.00 0.00 O ATOM 588 CB THR A 40 -5.559 5.888 -2.146 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.532 5.736 -0.722 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.903 5.424 -2.686 1.00 0.00 C ATOM 0 H THR A 40 -3.686 3.736 -1.353 1.00 0.00 H new ATOM 0 HA THR A 40 -4.622 4.934 -3.840 1.00 0.00 H new ATOM 0 HB THR A 40 -5.427 6.939 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.661 5.381 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.701 6.003 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.931 5.569 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.042 4.367 -2.458 1.00 0.00 H new ATOM 598 N LYS A 41 -2.710 6.543 -3.722 1.00 0.00 N ATOM 599 CA LYS A 41 -1.490 7.342 -3.719 1.00 0.00 C ATOM 600 C LYS A 41 -1.811 8.825 -3.875 1.00 0.00 C ATOM 601 O LYS A 41 -2.715 9.199 -4.622 1.00 0.00 O ATOM 602 CB LYS A 41 -0.557 6.890 -4.845 1.00 0.00 C ATOM 603 CG LYS A 41 0.839 7.481 -4.752 1.00 0.00 C ATOM 604 CD LYS A 41 1.699 7.067 -5.934 1.00 0.00 C ATOM 605 CE LYS A 41 3.086 7.686 -5.858 1.00 0.00 C ATOM 606 NZ LYS A 41 3.708 7.823 -7.204 1.00 0.00 N ATOM 0 H LYS A 41 -3.211 6.541 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.991 7.195 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.484 5.803 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.997 7.167 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.773 8.568 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.312 7.156 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.785 5.981 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.214 7.370 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.020 8.667 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.724 7.070 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.435 8.566 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.146 6.920 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.978 8.078 -7.899 1.00 0.00 H new ATOM 620 N ASN A 42 -1.063 9.665 -3.168 1.00 0.00 N ATOM 621 CA ASN A 42 -1.267 11.108 -3.229 1.00 0.00 C ATOM 622 C ASN A 42 -2.755 11.446 -3.262 1.00 0.00 C ATOM 623 O ASN A 42 -3.184 12.335 -3.995 1.00 0.00 O ATOM 624 CB ASN A 42 -0.573 11.690 -4.462 1.00 0.00 C ATOM 625 CG ASN A 42 0.824 11.135 -4.655 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.307 11.015 -5.782 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.482 10.792 -3.554 1.00 0.00 N ATOM 0 H ASN A 42 -0.310 9.372 -2.546 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.832 11.550 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.172 11.476 -5.347 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.520 12.775 -4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.426 10.412 -3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.043 10.909 -2.641 1.00 0.00 H new ATOM 634 N GLY A 43 -3.537 10.728 -2.461 1.00 0.00 N ATOM 635 CA GLY A 43 -4.968 10.967 -2.413 1.00 0.00 C ATOM 636 C GLY A 43 -5.658 10.616 -3.716 1.00 0.00 C ATOM 637 O GLY A 43 -6.598 11.295 -4.132 1.00 0.00 O ATOM 0 H GLY A 43 -3.205 9.986 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.404 10.380 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.151 12.016 -2.180 1.00 0.00 H new ATOM 641 N LEU A 44 -5.191 9.555 -4.364 1.00 0.00 N ATOM 642 CA LEU A 44 -5.769 9.115 -5.629 1.00 0.00 C ATOM 643 C LEU A 44 -5.806 7.593 -5.712 1.00 0.00 C ATOM 644 O LEU A 44 -4.994 6.894 -5.105 1.00 0.00 O ATOM 645 CB LEU A 44 -4.967 9.681 -6.803 1.00 0.00 C ATOM 646 CG LEU A 44 -4.871 11.206 -6.877 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.758 11.625 -7.824 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.201 11.802 -7.316 1.00 0.00 C ATOM 0 H LEU A 44 -4.413 8.983 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.792 9.488 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.956 9.275 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.413 9.320 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.636 11.586 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.705 12.713 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.808 11.228 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.963 11.235 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.115 12.888 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.466 11.416 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.976 11.530 -6.599 1.00 0.00 H new ATOM 660 N PRO A 45 -6.768 7.065 -6.482 1.00 0.00 N ATOM 661 CA PRO A 45 -6.932 5.619 -6.665 1.00 0.00 C ATOM 662 C PRO A 45 -5.803 5.007 -7.486 1.00 0.00 C ATOM 663 O PRO A 45 -5.631 5.329 -8.661 1.00 0.00 O ATOM 664 CB PRO A 45 -8.262 5.505 -7.415 1.00 0.00 C ATOM 665 CG PRO A 45 -8.409 6.807 -8.124 1.00 0.00 C ATOM 666 CD PRO A 45 -7.770 7.838 -7.235 1.00 0.00 C ATOM 0 HA PRO A 45 -6.915 5.083 -5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.251 4.671 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.091 5.332 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.923 6.777 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.459 7.040 -8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.308 8.638 -7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.499 8.304 -6.572 1.00 0.00 H new ATOM 674 N VAL A 46 -5.035 4.121 -6.859 1.00 0.00 N ATOM 675 CA VAL A 46 -3.923 3.461 -7.533 1.00 0.00 C ATOM 676 C VAL A 46 -4.423 2.450 -8.558 1.00 0.00 C ATOM 677 O VAL A 46 -5.364 1.701 -8.297 1.00 0.00 O ATOM 678 CB VAL A 46 -3.003 2.744 -6.527 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.945 1.931 -7.257 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.359 3.750 -5.585 1.00 0.00 C ATOM 0 H VAL A 46 -5.163 3.844 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.355 4.239 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.607 2.059 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.304 1.432 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.430 1.185 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.342 2.593 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.712 3.227 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.767 4.461 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.135 4.284 -5.037 1.00 0.00 H new ATOM 690 N GLN A 47 -3.786 2.434 -9.725 1.00 0.00 N ATOM 691 CA GLN A 47 -4.167 1.513 -10.790 1.00 0.00 C ATOM 692 C GLN A 47 -3.081 0.467 -11.020 1.00 0.00 C ATOM 693 O GLN A 47 -1.984 0.789 -11.476 1.00 0.00 O ATOM 694 CB GLN A 47 -4.434 2.282 -12.085 1.00 0.00 C ATOM 695 CG GLN A 47 -5.834 2.868 -12.167 1.00 0.00 C ATOM 696 CD GLN A 47 -6.915 1.838 -11.908 1.00 0.00 C ATOM 697 OE1 GLN A 47 -7.329 1.114 -12.815 1.00 0.00 O ATOM 698 NE2 GLN A 47 -7.378 1.764 -10.666 1.00 0.00 N ATOM 0 H GLN A 47 -3.005 3.047 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.079 1.001 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.706 3.088 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.278 1.615 -12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.928 3.677 -11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.983 3.305 -13.154 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.007 2.383 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.105 1.088 -10.432 1.00 0.00 H new ATOM 707 N GLU A 48 -3.395 -0.784 -10.700 1.00 0.00 N ATOM 708 CA GLU A 48 -2.444 -1.877 -10.872 1.00 0.00 C ATOM 709 C GLU A 48 -1.926 -1.927 -12.306 1.00 0.00 C ATOM 710 O GLU A 48 -2.540 -1.375 -13.219 1.00 0.00 O ATOM 711 CB GLU A 48 -3.097 -3.212 -10.506 1.00 0.00 C ATOM 712 CG GLU A 48 -3.400 -3.356 -9.024 1.00 0.00 C ATOM 713 CD GLU A 48 -4.733 -2.746 -8.640 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.712 -2.936 -9.391 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.798 -2.078 -7.586 1.00 0.00 O ATOM 0 H GLU A 48 -4.299 -1.066 -10.321 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.600 -1.699 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.024 -3.320 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.440 -4.025 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.398 -4.413 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.607 -2.880 -8.447 1.00 0.00 H new ATOM 722 N SER A 49 -0.791 -2.592 -12.496 1.00 0.00 N ATOM 723 CA SER A 49 -0.186 -2.711 -13.817 1.00 0.00 C ATOM 724 C SER A 49 0.847 -3.834 -13.843 1.00 0.00 C ATOM 725 O SER A 49 1.101 -4.481 -12.827 1.00 0.00 O ATOM 726 CB SER A 49 0.470 -1.390 -14.222 1.00 0.00 C ATOM 727 OG SER A 49 -0.501 -0.444 -14.635 1.00 0.00 O ATOM 0 H SER A 49 -0.272 -3.057 -11.751 1.00 0.00 H new ATOM 0 HA SER A 49 -0.975 -2.950 -14.530 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.038 -0.990 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.179 -1.565 -15.031 1.00 0.00 H new ATOM 0 HG SER A 49 -1.397 -0.782 -14.426 1.00 0.00 H new ATOM 733 N ASP A 50 1.438 -4.058 -15.011 1.00 0.00 N ATOM 734 CA ASP A 50 2.444 -5.101 -15.171 1.00 0.00 C ATOM 735 C ASP A 50 3.433 -5.085 -14.009 1.00 0.00 C ATOM 736 O ASP A 50 3.815 -6.135 -13.492 1.00 0.00 O ATOM 737 CB ASP A 50 3.190 -4.922 -16.494 1.00 0.00 C ATOM 738 CG ASP A 50 3.996 -6.148 -16.876 1.00 0.00 C ATOM 739 OD1 ASP A 50 3.487 -7.273 -16.691 1.00 0.00 O ATOM 740 OD2 ASP A 50 5.136 -5.983 -17.358 1.00 0.00 O ATOM 0 H ASP A 50 1.238 -3.531 -15.861 1.00 0.00 H new ATOM 0 HA ASP A 50 1.934 -6.064 -15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.473 -4.702 -17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.856 -4.062 -16.419 1.00 0.00 H new ATOM 745 N ARG A 51 3.843 -3.887 -13.605 1.00 0.00 N ATOM 746 CA ARG A 51 4.789 -3.735 -12.506 1.00 0.00 C ATOM 747 C ARG A 51 4.064 -3.711 -11.164 1.00 0.00 C ATOM 748 O ARG A 51 4.401 -4.465 -10.250 1.00 0.00 O ATOM 749 CB ARG A 51 5.604 -2.452 -12.680 1.00 0.00 C ATOM 750 CG ARG A 51 6.442 -2.430 -13.948 1.00 0.00 C ATOM 751 CD ARG A 51 5.670 -1.835 -15.116 1.00 0.00 C ATOM 752 NE ARG A 51 6.484 -1.755 -16.326 1.00 0.00 N ATOM 753 CZ ARG A 51 6.063 -1.205 -17.459 1.00 0.00 C ATOM 754 NH1 ARG A 51 4.844 -0.689 -17.537 1.00 0.00 N ATOM 755 NH2 ARG A 51 6.862 -1.170 -18.518 1.00 0.00 N ATOM 0 H ARG A 51 3.535 -3.008 -14.022 1.00 0.00 H new ATOM 0 HA ARG A 51 5.464 -4.591 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.926 -1.599 -12.688 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.260 -2.329 -11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.349 -1.850 -13.776 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.755 -3.444 -14.196 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.786 -2.442 -15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.319 -0.838 -14.849 1.00 0.00 H new ATOM 0 HE ARG A 51 7.427 -2.143 -16.299 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.227 -0.714 -16.725 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.524 -0.267 -18.409 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.800 -1.566 -18.462 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.538 -0.747 -19.388 1.00 0.00 H new ATOM 769 N LEU A 52 3.067 -2.841 -11.051 1.00 0.00 N ATOM 770 CA LEU A 52 2.293 -2.717 -9.821 1.00 0.00 C ATOM 771 C LEU A 52 1.509 -3.995 -9.540 1.00 0.00 C ATOM 772 O LEU A 52 0.578 -4.338 -10.269 1.00 0.00 O ATOM 773 CB LEU A 52 1.336 -1.528 -9.913 1.00 0.00 C ATOM 774 CG LEU A 52 0.970 -0.856 -8.589 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.565 0.592 -8.820 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.148 -1.620 -7.895 1.00 0.00 C ATOM 0 H LEU A 52 2.775 -2.210 -11.797 1.00 0.00 H new ATOM 0 HA LEU A 52 2.989 -2.551 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.782 -0.778 -10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.417 -1.864 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 52 1.847 -0.868 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.308 1.054 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.395 1.134 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.298 0.627 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.396 -1.128 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.028 -1.640 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.178 -2.641 -7.695 1.00 0.00 H new ATOM 788 N LYS A 53 1.891 -4.697 -8.478 1.00 0.00 N ATOM 789 CA LYS A 53 1.222 -5.935 -8.098 1.00 0.00 C ATOM 790 C LYS A 53 0.625 -5.824 -6.699 1.00 0.00 C ATOM 791 O LYS A 53 1.293 -5.388 -5.760 1.00 0.00 O ATOM 792 CB LYS A 53 2.205 -7.107 -8.152 1.00 0.00 C ATOM 793 CG LYS A 53 3.183 -7.135 -6.990 1.00 0.00 C ATOM 794 CD LYS A 53 2.638 -7.942 -5.823 1.00 0.00 C ATOM 795 CE LYS A 53 3.012 -9.412 -5.939 1.00 0.00 C ATOM 796 NZ LYS A 53 2.147 -10.128 -6.917 1.00 0.00 N ATOM 0 H LYS A 53 2.661 -4.429 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 53 0.413 -6.113 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.643 -8.041 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.765 -7.058 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.129 -7.564 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.391 -6.116 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.027 -7.539 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.553 -7.843 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.055 -9.499 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.926 -9.887 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.997 -11.106 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.230 -9.643 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.609 -10.136 -7.849 1.00 0.00 H new ATOM 810 N VAL A 54 -0.636 -6.221 -6.565 1.00 0.00 N ATOM 811 CA VAL A 54 -1.322 -6.168 -5.280 1.00 0.00 C ATOM 812 C VAL A 54 -1.818 -7.549 -4.864 1.00 0.00 C ATOM 813 O VAL A 54 -2.840 -8.027 -5.354 1.00 0.00 O ATOM 814 CB VAL A 54 -2.517 -5.198 -5.321 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.178 -5.106 -3.954 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.071 -3.825 -5.800 1.00 0.00 C ATOM 0 H VAL A 54 -1.204 -6.583 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.597 -5.810 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.252 -5.584 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.020 -4.416 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.534 -6.092 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.454 -4.744 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.928 -3.152 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.317 -3.429 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.648 -3.909 -6.801 1.00 0.00 H new ATOM 826 N VAL A 55 -1.085 -8.186 -3.955 1.00 0.00 N ATOM 827 CA VAL A 55 -1.450 -9.512 -3.471 1.00 0.00 C ATOM 828 C VAL A 55 -2.061 -9.438 -2.077 1.00 0.00 C ATOM 829 O VAL A 55 -1.599 -8.680 -1.225 1.00 0.00 O ATOM 830 CB VAL A 55 -0.231 -10.452 -3.437 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.517 -11.666 -2.567 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.156 -10.875 -4.846 1.00 0.00 C ATOM 0 H VAL A 55 -0.235 -7.805 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.188 -9.912 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 55 0.610 -9.912 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.356 -12.319 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.741 -11.341 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.371 -12.210 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.019 -11.539 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.680 -11.397 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.406 -9.993 -5.435 1.00 0.00 H new ATOM 842 N GLN A 56 -3.102 -10.233 -1.850 1.00 0.00 N ATOM 843 CA GLN A 56 -3.777 -10.257 -0.558 1.00 0.00 C ATOM 844 C GLN A 56 -3.870 -11.681 -0.019 1.00 0.00 C ATOM 845 O GLN A 56 -4.113 -12.626 -0.771 1.00 0.00 O ATOM 846 CB GLN A 56 -5.177 -9.652 -0.678 1.00 0.00 C ATOM 847 CG GLN A 56 -5.829 -9.357 0.663 1.00 0.00 C ATOM 848 CD GLN A 56 -6.595 -10.545 1.214 1.00 0.00 C ATOM 849 OE1 GLN A 56 -6.405 -11.679 0.773 1.00 0.00 O ATOM 850 NE2 GLN A 56 -7.466 -10.290 2.183 1.00 0.00 N ATOM 0 H GLN A 56 -3.496 -10.869 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.190 -9.661 0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.117 -8.729 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.813 -10.337 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.062 -9.061 1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.507 -8.511 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.591 -9.335 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.010 -11.049 2.593 1.00 0.00 H new ATOM 859 N LYS A 57 -3.676 -11.829 1.287 1.00 0.00 N ATOM 860 CA LYS A 57 -3.738 -13.137 1.927 1.00 0.00 C ATOM 861 C LYS A 57 -4.634 -13.096 3.161 1.00 0.00 C ATOM 862 O LYS A 57 -4.267 -12.528 4.188 1.00 0.00 O ATOM 863 CB LYS A 57 -2.334 -13.604 2.319 1.00 0.00 C ATOM 864 CG LYS A 57 -1.456 -13.953 1.130 1.00 0.00 C ATOM 865 CD LYS A 57 -0.205 -14.700 1.561 1.00 0.00 C ATOM 866 CE LYS A 57 0.693 -15.015 0.374 1.00 0.00 C ATOM 867 NZ LYS A 57 2.099 -15.267 0.794 1.00 0.00 N ATOM 0 H LYS A 57 -3.474 -11.058 1.923 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.163 -13.843 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.849 -12.820 2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.418 -14.477 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.021 -14.564 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.173 -13.041 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.346 -14.101 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.487 -15.626 2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.308 -15.890 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.668 -14.184 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.679 -15.478 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.475 -14.423 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.127 -16.076 1.447 1.00 0.00 H new ATOM 881 N GLY A 58 -5.811 -13.705 3.052 1.00 0.00 N ATOM 882 CA GLY A 58 -6.740 -13.727 4.167 1.00 0.00 C ATOM 883 C GLY A 58 -6.949 -12.355 4.776 1.00 0.00 C ATOM 884 O GLY A 58 -7.845 -11.617 4.367 1.00 0.00 O ATOM 0 H GLY A 58 -6.138 -14.183 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.699 -14.121 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.368 -14.408 4.932 1.00 0.00 H new ATOM 888 N ARG A 59 -6.121 -12.013 5.758 1.00 0.00 N ATOM 889 CA ARG A 59 -6.221 -10.721 6.426 1.00 0.00 C ATOM 890 C ARG A 59 -4.885 -9.984 6.387 1.00 0.00 C ATOM 891 O ARG A 59 -4.473 -9.373 7.373 1.00 0.00 O ATOM 892 CB ARG A 59 -6.671 -10.907 7.876 1.00 0.00 C ATOM 893 CG ARG A 59 -7.977 -11.671 8.016 1.00 0.00 C ATOM 894 CD ARG A 59 -8.205 -12.128 9.448 1.00 0.00 C ATOM 895 NE ARG A 59 -9.258 -13.135 9.540 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.077 -14.417 9.246 1.00 0.00 C ATOM 897 NH1 ARG A 59 -7.889 -14.847 8.843 1.00 0.00 N ATOM 898 NH2 ARG A 59 -10.084 -15.274 9.355 1.00 0.00 N ATOM 0 H ARG A 59 -5.374 -12.612 6.108 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.962 -10.122 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.891 -11.435 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.781 -9.928 8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.806 -11.038 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.966 -12.537 7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.278 -12.536 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.470 -11.269 10.065 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.184 -12.837 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.111 -14.192 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.753 -15.832 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.000 -14.948 9.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.943 -16.258 9.129 1.00 0.00 H new ATOM 912 N ILE A 60 -4.214 -10.047 5.242 1.00 0.00 N ATOM 913 CA ILE A 60 -2.926 -9.385 5.074 1.00 0.00 C ATOM 914 C ILE A 60 -2.754 -8.869 3.650 1.00 0.00 C ATOM 915 O ILE A 60 -2.708 -9.648 2.697 1.00 0.00 O ATOM 916 CB ILE A 60 -1.759 -10.332 5.410 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.895 -10.858 6.840 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.428 -9.618 5.227 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.981 -12.024 7.145 1.00 0.00 C ATOM 0 H ILE A 60 -4.541 -10.550 4.417 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.911 -8.543 5.766 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.791 -11.181 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.683 -10.048 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.928 -11.162 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.387 -10.300 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.331 -9.288 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.385 -8.753 5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.132 -12.344 8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.208 -12.850 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.056 -11.719 7.008 1.00 0.00 H new ATOM 931 N HIS A 61 -2.658 -7.550 3.511 1.00 0.00 N ATOM 932 CA HIS A 61 -2.488 -6.930 2.202 1.00 0.00 C ATOM 933 C HIS A 61 -1.040 -6.498 1.989 1.00 0.00 C ATOM 934 O HIS A 61 -0.543 -5.597 2.665 1.00 0.00 O ATOM 935 CB HIS A 61 -3.417 -5.724 2.062 1.00 0.00 C ATOM 936 CG HIS A 61 -4.839 -6.017 2.430 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.798 -6.373 1.506 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.462 -6.007 3.632 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.950 -6.568 2.122 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.773 -6.353 3.413 1.00 0.00 N ATOM 0 H HIS A 61 -2.695 -6.891 4.288 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.744 -7.668 1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.047 -4.915 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.383 -5.367 1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.012 -5.771 4.585 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.878 -6.854 1.650 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.493 -6.431 4.131 1.00 0.00 H new ATOM 949 N LYS A 62 -0.366 -7.149 1.046 1.00 0.00 N ATOM 950 CA LYS A 62 1.024 -6.833 0.743 1.00 0.00 C ATOM 951 C LYS A 62 1.143 -6.149 -0.615 1.00 0.00 C ATOM 952 O LYS A 62 0.447 -6.508 -1.566 1.00 0.00 O ATOM 953 CB LYS A 62 1.873 -8.107 0.760 1.00 0.00 C ATOM 954 CG LYS A 62 3.321 -7.878 0.363 1.00 0.00 C ATOM 955 CD LYS A 62 4.235 -8.941 0.950 1.00 0.00 C ATOM 956 CE LYS A 62 3.832 -10.335 0.494 1.00 0.00 C ATOM 957 NZ LYS A 62 4.239 -10.597 -0.914 1.00 0.00 N ATOM 0 H LYS A 62 -0.761 -7.899 0.479 1.00 0.00 H new ATOM 0 HA LYS A 62 1.390 -6.149 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.843 -8.540 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.430 -8.838 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.406 -7.883 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.641 -6.893 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.264 -8.743 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.203 -8.889 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.289 -11.077 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.752 -10.450 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.947 -11.557 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.783 -9.904 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.272 -10.513 -0.998 1.00 0.00 H new ATOM 971 N LEU A 63 2.030 -5.163 -0.700 1.00 0.00 N ATOM 972 CA LEU A 63 2.241 -4.429 -1.943 1.00 0.00 C ATOM 973 C LEU A 63 3.728 -4.194 -2.190 1.00 0.00 C ATOM 974 O LEU A 63 4.402 -3.531 -1.401 1.00 0.00 O ATOM 975 CB LEU A 63 1.502 -3.090 -1.899 1.00 0.00 C ATOM 976 CG LEU A 63 1.456 -2.306 -3.211 1.00 0.00 C ATOM 977 CD1 LEU A 63 0.374 -1.239 -3.158 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.811 -1.679 -3.505 1.00 0.00 C ATOM 0 H LEU A 63 2.614 -4.854 0.077 1.00 0.00 H new ATOM 0 HA LEU A 63 1.845 -5.029 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.478 -3.273 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.971 -2.463 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 63 1.215 -2.999 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.356 -0.692 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.595 -1.711 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.584 -0.548 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.760 -1.125 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.081 -1.000 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.564 -2.462 -3.587 1.00 0.00 H new ATOM 990 N VAL A 64 4.233 -4.740 -3.292 1.00 0.00 N ATOM 991 CA VAL A 64 5.639 -4.587 -3.645 1.00 0.00 C ATOM 992 C VAL A 64 5.798 -4.212 -5.114 1.00 0.00 C ATOM 993 O VAL A 64 5.372 -4.949 -6.004 1.00 0.00 O ATOM 994 CB VAL A 64 6.431 -5.879 -3.368 1.00 0.00 C ATOM 995 CG1 VAL A 64 6.072 -6.442 -2.002 1.00 0.00 C ATOM 996 CG2 VAL A 64 6.175 -6.905 -4.461 1.00 0.00 C ATOM 0 H VAL A 64 3.689 -5.292 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 64 6.037 -3.785 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 64 7.495 -5.640 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.641 -7.354 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.311 -5.709 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.006 -6.667 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.742 -7.811 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.112 -7.142 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.487 -6.498 -5.423 1.00 0.00 H new ATOM 1006 N ILE A 65 6.415 -3.061 -5.362 1.00 0.00 N ATOM 1007 CA ILE A 65 6.632 -2.588 -6.723 1.00 0.00 C ATOM 1008 C ILE A 65 7.928 -3.150 -7.300 1.00 0.00 C ATOM 1009 O ILE A 65 8.932 -3.267 -6.598 1.00 0.00 O ATOM 1010 CB ILE A 65 6.680 -1.050 -6.785 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.453 -0.452 -6.094 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.763 -0.580 -8.229 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.515 1.052 -5.947 1.00 0.00 C ATOM 0 H ILE A 65 6.773 -2.439 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 65 5.789 -2.940 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 65 7.572 -0.708 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.561 -0.717 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.347 -0.901 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.796 0.509 -8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.665 -0.982 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.888 -0.930 -8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.613 1.406 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.388 1.324 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.589 1.511 -6.933 1.00 0.00 H new ATOM 1025 N ALA A 66 7.898 -3.493 -8.583 1.00 0.00 N ATOM 1026 CA ALA A 66 9.071 -4.038 -9.255 1.00 0.00 C ATOM 1027 C ALA A 66 10.251 -3.076 -9.166 1.00 0.00 C ATOM 1028 O ALA A 66 11.347 -3.460 -8.759 1.00 0.00 O ATOM 1029 CB ALA A 66 8.749 -4.348 -10.710 1.00 0.00 C ATOM 0 H ALA A 66 7.074 -3.403 -9.178 1.00 0.00 H new ATOM 0 HA ALA A 66 9.351 -4.963 -8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.634 -4.754 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.941 -5.078 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.441 -3.434 -11.217 1.00 0.00 H new ATOM 1035 N ASN A 67 10.019 -1.825 -9.550 1.00 0.00 N ATOM 1036 CA ASN A 67 11.064 -0.809 -9.515 1.00 0.00 C ATOM 1037 C ASN A 67 10.556 0.471 -8.858 1.00 0.00 C ATOM 1038 O ASN A 67 9.555 1.045 -9.285 1.00 0.00 O ATOM 1039 CB ASN A 67 11.560 -0.507 -10.930 1.00 0.00 C ATOM 1040 CG ASN A 67 11.641 -1.752 -11.792 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.888 -1.906 -12.753 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.560 -2.648 -11.450 1.00 0.00 N ATOM 0 H ASN A 67 9.117 -1.491 -9.889 1.00 0.00 H new ATOM 0 HA ASN A 67 11.893 -1.197 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.892 0.214 -11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.544 -0.041 -10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.663 -3.506 -11.992 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.163 -2.478 -10.645 1.00 0.00 H new ATOM 1049 N ALA A 68 11.254 0.913 -7.817 1.00 0.00 N ATOM 1050 CA ALA A 68 10.876 2.126 -7.103 1.00 0.00 C ATOM 1051 C ALA A 68 11.080 3.362 -7.972 1.00 0.00 C ATOM 1052 O ALA A 68 12.077 4.072 -7.835 1.00 0.00 O ATOM 1053 CB ALA A 68 11.673 2.249 -5.812 1.00 0.00 C ATOM 0 H ALA A 68 12.085 0.449 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 68 9.816 2.058 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.380 3.160 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.473 1.386 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.737 2.290 -6.044 1.00 0.00 H new ATOM 1059 N LEU A 69 10.132 3.612 -8.868 1.00 0.00 N ATOM 1060 CA LEU A 69 10.208 4.762 -9.762 1.00 0.00 C ATOM 1061 C LEU A 69 10.131 6.068 -8.977 1.00 0.00 C ATOM 1062 O LEU A 69 9.397 6.172 -7.993 1.00 0.00 O ATOM 1063 CB LEU A 69 9.080 4.707 -10.794 1.00 0.00 C ATOM 1064 CG LEU A 69 9.010 3.438 -11.644 1.00 0.00 C ATOM 1065 CD1 LEU A 69 7.712 3.397 -12.436 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.209 3.355 -12.578 1.00 0.00 C ATOM 0 H LEU A 69 9.301 3.034 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 69 11.167 4.726 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.130 4.823 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.183 5.562 -11.462 1.00 0.00 H new ATOM 0 HG LEU A 69 9.033 2.576 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.680 2.487 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.866 3.409 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.659 4.265 -13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.143 2.446 -13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.217 4.223 -13.238 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.127 3.337 -11.991 1.00 0.00 H new ATOM 1078 N THR A 70 10.892 7.064 -9.419 1.00 0.00 N ATOM 1079 CA THR A 70 10.910 8.364 -8.760 1.00 0.00 C ATOM 1080 C THR A 70 9.517 8.756 -8.280 1.00 0.00 C ATOM 1081 O THR A 70 9.343 9.197 -7.145 1.00 0.00 O ATOM 1082 CB THR A 70 11.446 9.462 -9.696 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.964 9.249 -11.028 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.967 9.477 -9.698 1.00 0.00 C ATOM 0 H THR A 70 11.505 6.995 -10.232 1.00 0.00 H new ATOM 0 HA THR A 70 11.575 8.273 -7.901 1.00 0.00 H new ATOM 0 HB THR A 70 11.090 10.425 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.308 9.953 -11.617 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.322 10.261 -10.367 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.330 9.669 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.340 8.512 -10.040 1.00 0.00 H new ATOM 1092 N GLU A 71 8.527 8.591 -9.153 1.00 0.00 N ATOM 1093 CA GLU A 71 7.149 8.928 -8.817 1.00 0.00 C ATOM 1094 C GLU A 71 6.683 8.153 -7.588 1.00 0.00 C ATOM 1095 O GLU A 71 6.000 8.697 -6.720 1.00 0.00 O ATOM 1096 CB GLU A 71 6.225 8.633 -10.001 1.00 0.00 C ATOM 1097 CG GLU A 71 6.255 7.181 -10.448 1.00 0.00 C ATOM 1098 CD GLU A 71 5.708 6.992 -11.850 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.957 7.864 -12.708 1.00 0.00 O ATOM 1100 OE2 GLU A 71 5.030 5.970 -12.088 1.00 0.00 O ATOM 0 H GLU A 71 8.654 8.226 -10.097 1.00 0.00 H new ATOM 0 HA GLU A 71 7.108 9.993 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.204 8.900 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.508 9.269 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.281 6.814 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.674 6.578 -9.751 1.00 0.00 H new ATOM 1107 N ASP A 72 7.057 6.880 -7.522 1.00 0.00 N ATOM 1108 CA ASP A 72 6.679 6.030 -6.400 1.00 0.00 C ATOM 1109 C ASP A 72 6.881 6.757 -5.074 1.00 0.00 C ATOM 1110 O ASP A 72 6.016 6.725 -4.200 1.00 0.00 O ATOM 1111 CB ASP A 72 7.494 4.736 -6.415 1.00 0.00 C ATOM 1112 CG ASP A 72 8.764 4.841 -5.593 1.00 0.00 C ATOM 1113 OD1 ASP A 72 8.661 5.077 -4.372 1.00 0.00 O ATOM 1114 OD2 ASP A 72 9.860 4.689 -6.172 1.00 0.00 O ATOM 0 H ASP A 72 7.622 6.414 -8.232 1.00 0.00 H new ATOM 0 HA ASP A 72 5.622 5.786 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.882 3.920 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.751 4.484 -7.444 1.00 0.00 H new ATOM 1119 N GLU A 73 8.030 7.410 -4.933 1.00 0.00 N ATOM 1120 CA GLU A 73 8.346 8.144 -3.712 1.00 0.00 C ATOM 1121 C GLU A 73 7.266 9.176 -3.403 1.00 0.00 C ATOM 1122 O GLU A 73 6.938 10.017 -4.239 1.00 0.00 O ATOM 1123 CB GLU A 73 9.705 8.834 -3.843 1.00 0.00 C ATOM 1124 CG GLU A 73 9.612 10.278 -4.309 1.00 0.00 C ATOM 1125 CD GLU A 73 10.947 10.831 -4.766 1.00 0.00 C ATOM 1126 OE1 GLU A 73 11.339 10.559 -5.921 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.602 11.536 -3.969 1.00 0.00 O ATOM 0 H GLU A 73 8.757 7.446 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 73 8.387 7.430 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.213 8.804 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.322 8.273 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.895 10.346 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.227 10.894 -3.496 1.00 0.00 H new ATOM 1134 N GLY A 74 6.716 9.105 -2.194 1.00 0.00 N ATOM 1135 CA GLY A 74 5.679 10.038 -1.795 1.00 0.00 C ATOM 1136 C GLY A 74 4.936 9.584 -0.555 1.00 0.00 C ATOM 1137 O GLY A 74 5.542 9.362 0.493 1.00 0.00 O ATOM 0 H GLY A 74 6.970 8.418 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.125 11.015 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.971 10.161 -2.614 1.00 0.00 H new ATOM 1141 N ASP A 75 3.620 9.446 -0.673 1.00 0.00 N ATOM 1142 CA ASP A 75 2.793 9.016 0.448 1.00 0.00 C ATOM 1143 C ASP A 75 1.634 8.148 -0.033 1.00 0.00 C ATOM 1144 O ASP A 75 0.873 8.545 -0.917 1.00 0.00 O ATOM 1145 CB ASP A 75 2.256 10.229 1.209 1.00 0.00 C ATOM 1146 CG ASP A 75 3.354 11.008 1.906 1.00 0.00 C ATOM 1147 OD1 ASP A 75 4.267 10.370 2.471 1.00 0.00 O ATOM 1148 OD2 ASP A 75 3.301 12.256 1.886 1.00 0.00 O ATOM 0 H ASP A 75 3.103 9.626 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 75 3.414 8.422 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.732 10.887 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.526 9.897 1.947 1.00 0.00 H new ATOM 1153 N TYR A 76 1.506 6.963 0.553 1.00 0.00 N ATOM 1154 CA TYR A 76 0.442 6.037 0.181 1.00 0.00 C ATOM 1155 C TYR A 76 -0.647 6.003 1.249 1.00 0.00 C ATOM 1156 O TYR A 76 -0.440 6.446 2.379 1.00 0.00 O ATOM 1157 CB TYR A 76 1.010 4.633 -0.029 1.00 0.00 C ATOM 1158 CG TYR A 76 1.792 4.482 -1.314 1.00 0.00 C ATOM 1159 CD1 TYR A 76 2.848 5.336 -1.612 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.476 3.488 -2.231 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.565 5.203 -2.785 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.189 3.346 -3.406 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.233 4.207 -3.678 1.00 0.00 C ATOM 1164 OH TYR A 76 3.944 4.070 -4.848 1.00 0.00 O ATOM 0 H TYR A 76 2.125 6.621 1.287 1.00 0.00 H new ATOM 0 HA TYR A 76 0.000 6.386 -0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.657 4.382 0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.190 3.914 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.112 6.117 -0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.658 2.814 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.382 5.876 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.931 2.566 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 76 3.583 3.320 -5.364 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.810 5.473 0.882 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.933 5.378 1.807 1.00 0.00 C ATOM 1176 C VAL A 77 -3.808 4.172 1.486 1.00 0.00 C ATOM 1177 O VAL A 77 -4.186 3.954 0.334 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.799 6.651 1.771 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.976 6.523 2.726 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.960 7.875 2.106 1.00 0.00 C ATOM 0 H VAL A 77 -1.999 5.103 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.512 5.262 2.806 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.193 6.774 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.577 7.432 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.589 5.670 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.607 6.375 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.588 8.766 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.536 7.763 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.154 7.974 1.378 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.129 3.390 2.512 1.00 0.00 N ATOM 1191 CA PHE A 78 -4.960 2.205 2.340 1.00 0.00 C ATOM 1192 C PHE A 78 -6.338 2.412 2.962 1.00 0.00 C ATOM 1193 O PHE A 78 -6.513 3.253 3.843 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.282 0.985 2.967 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.195 -0.199 3.112 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.139 -0.244 4.126 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.108 -1.269 2.235 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.980 -1.332 4.262 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -5.947 -2.359 2.366 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.883 -2.391 3.381 1.00 0.00 C ATOM 0 H PHE A 78 -3.826 3.556 3.472 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.086 2.032 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.426 0.701 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.896 1.258 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.218 0.581 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.376 -1.250 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.712 -1.354 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.871 -3.186 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.538 -3.243 3.486 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.313 1.637 2.498 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.674 1.734 3.009 1.00 0.00 C ATOM 1212 C ALA A 79 -9.517 0.547 2.555 1.00 0.00 C ATOM 1213 O ALA A 79 -9.448 0.109 1.406 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.315 3.040 2.562 1.00 0.00 C ATOM 0 H ALA A 79 -7.185 0.935 1.769 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.628 1.719 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.331 3.098 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.732 3.880 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.341 3.079 1.473 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.332 0.011 3.476 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.203 -1.133 3.192 1.00 0.00 C ATOM 1222 C PRO A 80 -12.346 -0.772 2.250 1.00 0.00 C ATOM 1223 O PRO A 80 -12.813 0.367 2.233 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.748 -1.515 4.571 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.674 -0.258 5.368 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.465 0.481 4.865 1.00 0.00 C ATOM 0 HA PRO A 80 -10.666 -1.939 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.772 -1.882 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.154 -2.308 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.577 0.339 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.584 -0.476 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.606 1.561 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.578 0.249 5.455 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.792 -1.748 1.467 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.882 -1.533 0.522 1.00 0.00 C ATOM 1236 C ASP A 81 -15.235 -1.701 1.206 1.00 0.00 C ATOM 1237 O ASP A 81 -16.270 -1.780 0.545 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.766 -2.506 -0.653 1.00 0.00 C ATOM 1239 CG ASP A 81 -12.766 -2.042 -1.693 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -11.923 -1.181 -1.363 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -12.826 -2.538 -2.837 1.00 0.00 O ATOM 0 H ASP A 81 -12.416 -2.696 1.468 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.809 -0.512 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.470 -3.487 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.743 -2.624 -1.121 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.218 -1.754 2.534 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.444 -1.911 3.307 1.00 0.00 C ATOM 1248 C ALA A 82 -16.619 -0.764 4.297 1.00 0.00 C ATOM 1249 O ALA A 82 -17.742 -0.353 4.592 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.439 -3.245 4.039 1.00 0.00 C ATOM 0 H ALA A 82 -14.369 -1.691 3.096 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.286 -1.891 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.360 -3.349 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.368 -4.057 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.585 -3.286 4.715 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.504 -0.252 4.805 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.536 0.846 5.764 1.00 0.00 C ATOM 1258 C TYR A 83 -14.918 2.108 5.168 1.00 0.00 C ATOM 1259 O TYR A 83 -14.553 2.138 3.994 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.792 0.456 7.042 1.00 0.00 C ATOM 1261 CG TYR A 83 -15.223 -0.877 7.611 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.973 -2.060 6.926 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.881 -0.954 8.832 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -15.366 -3.280 7.442 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.276 -2.169 9.356 1.00 0.00 C ATOM 1266 CZ TYR A 83 -16.017 -3.330 8.657 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.410 -4.543 9.174 1.00 0.00 O ATOM 0 H TYR A 83 -14.567 -0.579 4.569 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.578 1.053 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.722 0.424 6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.948 1.230 7.794 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.463 -2.025 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.087 -0.047 9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -15.164 -4.190 6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.785 -2.210 10.308 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.931 -4.712 10.012 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.805 3.147 5.988 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.232 4.412 5.544 1.00 0.00 C ATOM 1279 C ASN A 84 -12.810 4.581 6.072 1.00 0.00 C ATOM 1280 O ASN A 84 -12.016 5.339 5.515 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.103 5.582 6.008 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.536 5.461 5.529 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.792 5.036 4.402 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -17.480 5.836 6.385 1.00 0.00 N ATOM 0 H ASN A 84 -15.103 3.138 6.964 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.197 4.403 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.090 5.632 7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.678 6.516 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.463 5.778 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.222 6.182 7.309 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.497 3.869 7.149 1.00 0.00 N ATOM 1292 CA VAL A 85 -11.171 3.938 7.752 1.00 0.00 C ATOM 1293 C VAL A 85 -10.092 4.110 6.689 1.00 0.00 C ATOM 1294 O VAL A 85 -10.243 3.654 5.554 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.864 2.676 8.579 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.824 1.447 7.684 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.553 2.839 9.333 1.00 0.00 C ATOM 0 H VAL A 85 -13.143 3.238 7.622 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.169 4.805 8.412 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.662 2.539 9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.606 0.565 8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.790 1.322 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.048 1.572 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.352 1.938 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.743 3.002 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.624 3.694 10.005 1.00 0.00 H new ATOM 1307 N THR A 86 -9.001 4.771 7.062 1.00 0.00 N ATOM 1308 CA THR A 86 -7.896 5.004 6.141 1.00 0.00 C ATOM 1309 C THR A 86 -6.555 4.949 6.865 1.00 0.00 C ATOM 1310 O THR A 86 -6.338 5.661 7.846 1.00 0.00 O ATOM 1311 CB THR A 86 -8.030 6.367 5.436 1.00 0.00 C ATOM 1312 OG1 THR A 86 -8.433 7.368 6.378 1.00 0.00 O ATOM 1313 CG2 THR A 86 -9.042 6.293 4.303 1.00 0.00 C ATOM 0 H THR A 86 -8.859 5.155 7.996 1.00 0.00 H new ATOM 0 HA THR A 86 -7.935 4.211 5.394 1.00 0.00 H new ATOM 0 HB THR A 86 -7.059 6.632 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.945 7.242 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.119 7.267 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.718 5.551 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.015 6.008 4.702 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.658 4.100 6.375 1.00 0.00 N ATOM 1322 CA LEU A 87 -4.337 3.953 6.975 1.00 0.00 C ATOM 1323 C LEU A 87 -3.280 4.681 6.152 1.00 0.00 C ATOM 1324 O LEU A 87 -2.850 4.215 5.096 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.973 2.472 7.097 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.529 1.743 8.321 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.899 1.155 8.016 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.569 0.653 8.775 1.00 0.00 C ATOM 0 H LEU A 87 -5.822 3.503 5.564 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.366 4.398 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.323 1.957 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.887 2.385 7.110 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.637 2.465 9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.279 0.640 8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.585 1.956 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.816 0.447 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.981 0.145 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.428 -0.067 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.609 1.099 9.035 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.849 5.852 6.644 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.835 6.669 5.971 1.00 0.00 C ATOM 1342 C PRO A 88 -0.452 6.029 6.016 1.00 0.00 C ATOM 1343 O PRO A 88 -0.131 5.287 6.944 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.846 7.976 6.767 1.00 0.00 C ATOM 1345 CG PRO A 88 -2.344 7.592 8.118 1.00 0.00 C ATOM 1346 CD PRO A 88 -3.319 6.468 7.896 1.00 0.00 C ATOM 0 HA PRO A 88 -2.054 6.798 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.850 8.414 6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.495 8.718 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.523 7.275 8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.827 8.436 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.308 5.757 8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.341 6.835 7.804 1.00 0.00 H new ATOM 1354 N ALA A 89 0.363 6.322 5.008 1.00 0.00 N ATOM 1355 CA ALA A 89 1.713 5.777 4.935 1.00 0.00 C ATOM 1356 C ALA A 89 2.642 6.712 4.167 1.00 0.00 C ATOM 1357 O ALA A 89 2.256 7.291 3.152 1.00 0.00 O ATOM 1358 CB ALA A 89 1.692 4.401 4.285 1.00 0.00 C ATOM 0 H ALA A 89 0.112 6.933 4.231 1.00 0.00 H new ATOM 0 HA ALA A 89 2.095 5.682 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.707 4.006 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.069 3.729 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.286 4.481 3.277 1.00 0.00 H new ATOM 1364 N LYS A 90 3.868 6.855 4.659 1.00 0.00 N ATOM 1365 CA LYS A 90 4.853 7.719 4.020 1.00 0.00 C ATOM 1366 C LYS A 90 5.924 6.894 3.314 1.00 0.00 C ATOM 1367 O LYS A 90 6.363 5.863 3.822 1.00 0.00 O ATOM 1368 CB LYS A 90 5.503 8.639 5.056 1.00 0.00 C ATOM 1369 CG LYS A 90 4.560 9.691 5.613 1.00 0.00 C ATOM 1370 CD LYS A 90 5.320 10.837 6.259 1.00 0.00 C ATOM 1371 CE LYS A 90 4.395 11.736 7.064 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.509 12.549 6.186 1.00 0.00 N ATOM 0 H LYS A 90 4.203 6.383 5.499 1.00 0.00 H new ATOM 0 HA LYS A 90 4.338 8.327 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.885 8.034 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.360 9.136 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.930 10.077 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.897 9.234 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.098 10.438 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.819 11.424 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.785 11.126 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.989 12.398 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.894 13.148 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.090 13.150 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.923 11.917 5.604 1.00 0.00 H new ATOM 1386 N VAL A 91 6.342 7.356 2.139 1.00 0.00 N ATOM 1387 CA VAL A 91 7.363 6.662 1.364 1.00 0.00 C ATOM 1388 C VAL A 91 8.273 7.651 0.644 1.00 0.00 C ATOM 1389 O VAL A 91 7.850 8.748 0.279 1.00 0.00 O ATOM 1390 CB VAL A 91 6.733 5.712 0.328 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.586 4.313 0.907 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.389 6.249 -0.139 1.00 0.00 C ATOM 0 H VAL A 91 5.989 8.208 1.704 1.00 0.00 H new ATOM 0 HA VAL A 91 7.953 6.077 2.070 1.00 0.00 H new ATOM 0 HB VAL A 91 7.395 5.654 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.139 3.656 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.567 3.930 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.946 4.349 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.958 5.565 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.717 6.338 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.528 7.229 -0.596 1.00 0.00 H new ATOM 1402 N HIS A 92 9.525 7.255 0.440 1.00 0.00 N ATOM 1403 CA HIS A 92 10.496 8.106 -0.238 1.00 0.00 C ATOM 1404 C HIS A 92 11.490 7.268 -1.037 1.00 0.00 C ATOM 1405 O HIS A 92 11.658 6.075 -0.780 1.00 0.00 O ATOM 1406 CB HIS A 92 11.242 8.974 0.776 1.00 0.00 C ATOM 1407 CG HIS A 92 12.120 10.011 0.145 1.00 0.00 C ATOM 1408 ND1 HIS A 92 11.724 10.781 -0.928 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.379 10.405 0.445 1.00 0.00 C ATOM 1410 CE1 HIS A 92 12.703 11.602 -1.263 1.00 0.00 C ATOM 1411 NE2 HIS A 92 13.719 11.395 -0.445 1.00 0.00 N ATOM 0 H HIS A 92 9.891 6.350 0.735 1.00 0.00 H new ATOM 0 HA HIS A 92 9.955 8.752 -0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.517 9.468 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.851 8.332 1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.001 10.014 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.677 12.320 -2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.611 11.889 -0.470 1.00 0.00 H new ATOM 1420 N VAL A 93 12.144 7.899 -2.006 1.00 0.00 N ATOM 1421 CA VAL A 93 13.121 7.211 -2.842 1.00 0.00 C ATOM 1422 C VAL A 93 14.453 7.954 -2.855 1.00 0.00 C ATOM 1423 O VAL A 93 14.501 9.158 -3.106 1.00 0.00 O ATOM 1424 CB VAL A 93 12.616 7.061 -4.289 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.711 8.387 -5.029 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.397 5.977 -5.016 1.00 0.00 C ATOM 0 H VAL A 93 12.015 8.885 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 93 13.264 6.220 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 93 11.568 6.764 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.350 8.261 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.102 9.133 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.749 8.718 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.027 5.885 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.454 6.241 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.270 5.027 -4.497 1.00 0.00 H new ATOM 1436 N ILE A 94 15.532 7.227 -2.585 1.00 0.00 N ATOM 1437 CA ILE A 94 16.865 7.817 -2.567 1.00 0.00 C ATOM 1438 C ILE A 94 17.553 7.660 -3.918 1.00 0.00 C ATOM 1439 O ILE A 94 17.668 6.553 -4.443 1.00 0.00 O ATOM 1440 CB ILE A 94 17.747 7.181 -1.477 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.068 7.292 -0.111 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.116 7.845 -1.449 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.748 6.482 0.971 1.00 0.00 C ATOM 0 H ILE A 94 15.509 6.229 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 94 16.738 8.877 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 94 17.881 6.125 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.046 8.339 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.032 6.965 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.728 7.385 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.601 7.719 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.001 8.908 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.212 6.609 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 94 17.747 5.428 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 18.776 6.824 1.090 1.00 0.00 H new ATOM 1455 N SER A 95 18.011 8.776 -4.476 1.00 0.00 N ATOM 1456 CA SER A 95 18.687 8.763 -5.768 1.00 0.00 C ATOM 1457 C SER A 95 20.116 8.246 -5.628 1.00 0.00 C ATOM 1458 O SER A 95 20.836 8.621 -4.704 1.00 0.00 O ATOM 1459 CB SER A 95 18.698 10.168 -6.376 1.00 0.00 C ATOM 1460 OG SER A 95 19.725 10.962 -5.806 1.00 0.00 O ATOM 0 H SER A 95 17.926 9.701 -4.054 1.00 0.00 H new ATOM 0 HA SER A 95 18.139 8.092 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 95 18.843 10.100 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.732 10.646 -6.213 1.00 0.00 H new ATOM 0 HG SER A 95 19.712 11.854 -6.212 1.00 0.00 H new ATOM 1466 N GLY A 96 20.519 7.382 -6.555 1.00 0.00 N ATOM 1467 CA GLY A 96 21.859 6.826 -6.518 1.00 0.00 C ATOM 1468 C GLY A 96 22.554 6.899 -7.863 1.00 0.00 C ATOM 1469 O GLY A 96 21.917 7.030 -8.909 1.00 0.00 O ATOM 0 H GLY A 96 19.942 7.057 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.451 7.363 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 96 21.809 5.786 -6.194 1.00 0.00 H new ATOM 1473 N PRO A 97 23.893 6.816 -7.847 1.00 0.00 N ATOM 1474 CA PRO A 97 24.704 6.873 -9.067 1.00 0.00 C ATOM 1475 C PRO A 97 24.539 5.627 -9.931 1.00 0.00 C ATOM 1476 O PRO A 97 25.175 5.497 -10.977 1.00 0.00 O ATOM 1477 CB PRO A 97 26.137 6.970 -8.536 1.00 0.00 C ATOM 1478 CG PRO A 97 26.083 6.346 -7.184 1.00 0.00 C ATOM 1479 CD PRO A 97 24.718 6.660 -6.637 1.00 0.00 C ATOM 0 HA PRO A 97 24.416 7.705 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 97 26.837 6.445 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 97 26.469 8.007 -8.481 1.00 0.00 H new ATOM 0 HG2 PRO A 97 26.241 5.269 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 97 26.864 6.747 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.347 5.858 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.725 7.569 -6.036 1.00 0.00 H new ATOM 1487 N SER A 98 23.682 4.713 -9.487 1.00 0.00 N ATOM 1488 CA SER A 98 23.436 3.476 -10.218 1.00 0.00 C ATOM 1489 C SER A 98 24.685 2.599 -10.237 1.00 0.00 C ATOM 1490 O SER A 98 25.109 2.126 -11.291 1.00 0.00 O ATOM 1491 CB SER A 98 22.994 3.784 -11.650 1.00 0.00 C ATOM 1492 OG SER A 98 21.883 4.664 -11.662 1.00 0.00 O ATOM 0 H SER A 98 23.146 4.806 -8.624 1.00 0.00 H new ATOM 0 HA SER A 98 22.640 2.934 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.822 4.230 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.733 2.857 -12.161 1.00 0.00 H new ATOM 0 HG SER A 98 21.621 4.847 -12.588 1.00 0.00 H new ATOM 1498 N SER A 99 25.269 2.387 -9.062 1.00 0.00 N ATOM 1499 CA SER A 99 26.471 1.570 -8.943 1.00 0.00 C ATOM 1500 C SER A 99 26.150 0.220 -8.309 1.00 0.00 C ATOM 1501 O SER A 99 25.586 0.153 -7.217 1.00 0.00 O ATOM 1502 CB SER A 99 27.528 2.299 -8.110 1.00 0.00 C ATOM 1503 OG SER A 99 27.077 2.506 -6.782 1.00 0.00 O ATOM 0 H SER A 99 24.930 2.769 -8.179 1.00 0.00 H new ATOM 0 HA SER A 99 26.864 1.397 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 99 28.450 1.718 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 99 27.762 3.258 -8.572 1.00 0.00 H new ATOM 0 HG SER A 99 26.370 1.861 -6.572 1.00 0.00 H new ATOM 1509 N GLY A 100 26.514 -0.854 -9.003 1.00 0.00 N ATOM 1510 CA GLY A 100 26.257 -2.188 -8.493 1.00 0.00 C ATOM 1511 C GLY A 100 26.744 -3.272 -9.434 1.00 0.00 C ATOM 1512 O GLY A 100 27.846 -3.183 -9.976 1.00 0.00 O ATOM 0 H GLY A 100 26.982 -0.824 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.746 -2.304 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.187 -2.310 -8.326 1.00 0.00 H new TER 1516 GLY A 100