USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 106 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-1.6) USER MOD Set 1.2: A 114 SER OG : rot 173:sc= 0 USER MOD Set 2.1: A 29 SER OG : rot 74:sc= 0.985 USER MOD Set 2.2: A 34 SER OG : rot 96:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.451 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 4:sc= 0.255 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.53) USER MOD Single : A 16 CYS SG : rot 2:sc= 0.331 USER MOD Single : A 17 GLN : amide:sc= 0.256 K(o=0.26,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= -0.285 K(o=-0.29,f=-0.9) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.279 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.753 USER MOD Single : A 27 HIS : no HD1:sc= -2.04 K(o=-2,f=-2.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 64:sc= -2.47 USER MOD Single : A 46 TYR OH : rot 88:sc= 1.32 USER MOD Single : A 49 GLN : amide:sc= -6.64! C(o=-6.6!,f=-7.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.9!) USER MOD Single : A 67 THR OG1 : rot -135:sc= -1.35 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.89) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 93 SER OG : rot 180:sc= -0.062 USER MOD Single : A 101 TYR OH : rot 33:sc= -1.28! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-0.66) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.868 -33.610 -8.076 1.00 0.00 N ATOM 2 CA GLY A 1 -0.482 -33.188 -7.984 1.00 0.00 C ATOM 3 C GLY A 1 -0.342 -31.688 -7.822 1.00 0.00 C ATOM 4 O GLY A 1 -1.034 -31.078 -7.008 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.910 -34.643 -8.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.373 -33.333 -7.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.315 -33.156 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.009 -33.687 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.051 -33.505 -8.880 1.00 0.00 H new ATOM 8 N SER A 2 0.556 -31.091 -8.600 1.00 0.00 N ATOM 9 CA SER A 2 0.789 -29.653 -8.535 1.00 0.00 C ATOM 10 C SER A 2 0.118 -28.941 -9.705 1.00 0.00 C ATOM 11 O SER A 2 0.688 -28.837 -10.791 1.00 0.00 O ATOM 12 CB SER A 2 2.291 -29.357 -8.536 1.00 0.00 C ATOM 13 OG SER A 2 2.935 -29.993 -9.626 1.00 0.00 O ATOM 0 H SER A 2 1.134 -31.581 -9.283 1.00 0.00 H new ATOM 0 HA SER A 2 0.354 -29.281 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.453 -28.281 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.733 -29.698 -7.599 1.00 0.00 H new ATOM 0 HG SER A 2 2.408 -29.859 -10.441 1.00 0.00 H new ATOM 19 N SER A 3 -1.096 -28.453 -9.475 1.00 0.00 N ATOM 20 CA SER A 3 -1.848 -27.754 -10.510 1.00 0.00 C ATOM 21 C SER A 3 -0.982 -26.698 -11.192 1.00 0.00 C ATOM 22 O SER A 3 -0.411 -25.829 -10.534 1.00 0.00 O ATOM 23 CB SER A 3 -3.094 -27.098 -9.911 1.00 0.00 C ATOM 24 OG SER A 3 -3.949 -26.605 -10.928 1.00 0.00 O ATOM 0 H SER A 3 -1.580 -28.529 -8.581 1.00 0.00 H new ATOM 0 HA SER A 3 -2.155 -28.486 -11.257 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.632 -27.822 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.798 -26.281 -9.253 1.00 0.00 H new ATOM 0 HG SER A 3 -4.739 -26.192 -10.520 1.00 0.00 H new ATOM 30 N GLY A 4 -0.889 -26.782 -12.515 1.00 0.00 N ATOM 31 CA GLY A 4 -0.091 -25.830 -13.265 1.00 0.00 C ATOM 32 C GLY A 4 -0.809 -24.511 -13.476 1.00 0.00 C ATOM 33 O GLY A 4 -0.963 -24.055 -14.608 1.00 0.00 O ATOM 0 H GLY A 4 -1.352 -27.493 -13.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.846 -25.650 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.166 -26.259 -14.233 1.00 0.00 H new ATOM 37 N SER A 5 -1.249 -23.897 -12.382 1.00 0.00 N ATOM 38 CA SER A 5 -1.960 -22.627 -12.452 1.00 0.00 C ATOM 39 C SER A 5 -1.742 -21.811 -11.181 1.00 0.00 C ATOM 40 O SER A 5 -1.824 -22.337 -10.071 1.00 0.00 O ATOM 41 CB SER A 5 -3.455 -22.864 -12.670 1.00 0.00 C ATOM 42 OG SER A 5 -3.705 -23.390 -13.962 1.00 0.00 O ATOM 0 H SER A 5 -1.125 -24.259 -11.437 1.00 0.00 H new ATOM 0 HA SER A 5 -1.563 -22.064 -13.297 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.831 -23.554 -11.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.997 -21.927 -12.544 1.00 0.00 H new ATOM 0 HG SER A 5 -2.854 -23.548 -14.421 1.00 0.00 H new ATOM 48 N SER A 6 -1.465 -20.522 -11.351 1.00 0.00 N ATOM 49 CA SER A 6 -1.232 -19.634 -10.219 1.00 0.00 C ATOM 50 C SER A 6 -1.639 -18.203 -10.558 1.00 0.00 C ATOM 51 O SER A 6 -1.760 -17.841 -11.727 1.00 0.00 O ATOM 52 CB SER A 6 0.240 -19.673 -9.807 1.00 0.00 C ATOM 53 OG SER A 6 0.407 -19.250 -8.465 1.00 0.00 O ATOM 0 H SER A 6 -1.397 -20.070 -12.263 1.00 0.00 H new ATOM 0 HA SER A 6 -1.844 -19.980 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.626 -20.686 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.823 -19.032 -10.468 1.00 0.00 H new ATOM 0 HG SER A 6 1.357 -19.286 -8.226 1.00 0.00 H new ATOM 59 N GLY A 7 -1.850 -17.394 -9.524 1.00 0.00 N ATOM 60 CA GLY A 7 -2.241 -16.011 -9.731 1.00 0.00 C ATOM 61 C GLY A 7 -3.447 -15.620 -8.901 1.00 0.00 C ATOM 62 O GLY A 7 -4.572 -15.591 -9.399 1.00 0.00 O ATOM 0 H GLY A 7 -1.757 -17.671 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.404 -15.359 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.463 -15.853 -10.786 1.00 0.00 H new ATOM 66 N THR A 8 -3.214 -15.318 -7.627 1.00 0.00 N ATOM 67 CA THR A 8 -4.290 -14.927 -6.725 1.00 0.00 C ATOM 68 C THR A 8 -3.863 -13.772 -5.827 1.00 0.00 C ATOM 69 O THR A 8 -2.710 -13.696 -5.405 1.00 0.00 O ATOM 70 CB THR A 8 -4.739 -16.108 -5.844 1.00 0.00 C ATOM 71 OG1 THR A 8 -4.945 -17.272 -6.652 1.00 0.00 O ATOM 72 CG2 THR A 8 -6.021 -15.770 -5.097 1.00 0.00 C ATOM 0 H THR A 8 -2.289 -15.337 -7.197 1.00 0.00 H new ATOM 0 HA THR A 8 -5.126 -14.608 -7.348 1.00 0.00 H new ATOM 0 HB THR A 8 -3.954 -16.307 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.229 -18.018 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.318 -16.619 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.853 -14.902 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.812 -15.547 -5.813 1.00 0.00 H new ATOM 80 N GLN A 9 -4.800 -12.876 -5.539 1.00 0.00 N ATOM 81 CA GLN A 9 -4.520 -11.724 -4.690 1.00 0.00 C ATOM 82 C GLN A 9 -3.555 -12.095 -3.569 1.00 0.00 C ATOM 83 O GLN A 9 -2.734 -11.280 -3.149 1.00 0.00 O ATOM 84 CB GLN A 9 -5.818 -11.170 -4.100 1.00 0.00 C ATOM 85 CG GLN A 9 -6.624 -10.332 -5.079 1.00 0.00 C ATOM 86 CD GLN A 9 -7.562 -11.167 -5.927 1.00 0.00 C ATOM 87 OE1 GLN A 9 -7.227 -11.554 -7.046 1.00 0.00 O ATOM 88 NE2 GLN A 9 -8.747 -11.449 -5.397 1.00 0.00 N ATOM 0 H GLN A 9 -5.760 -12.925 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.053 -10.956 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.433 -12.001 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.580 -10.564 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.202 -9.591 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.942 -9.784 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.983 -11.108 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.421 -12.007 -5.922 1.00 0.00 H new ATOM 97 N GLU A 10 -3.660 -13.330 -3.090 1.00 0.00 N ATOM 98 CA GLU A 10 -2.797 -13.809 -2.016 1.00 0.00 C ATOM 99 C GLU A 10 -1.356 -13.356 -2.235 1.00 0.00 C ATOM 100 O GLU A 10 -0.775 -12.672 -1.393 1.00 0.00 O ATOM 101 CB GLU A 10 -2.856 -15.334 -1.926 1.00 0.00 C ATOM 102 CG GLU A 10 -1.823 -15.929 -0.983 1.00 0.00 C ATOM 103 CD GLU A 10 -2.331 -16.045 0.440 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.442 -16.582 0.633 1.00 0.00 O ATOM 105 OE2 GLU A 10 -1.616 -15.600 1.363 1.00 0.00 O ATOM 0 H GLU A 10 -4.334 -14.017 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.155 -13.384 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.851 -15.632 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.712 -15.754 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.534 -16.916 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.926 -15.310 -0.995 1.00 0.00 H new ATOM 112 N GLU A 11 -0.785 -13.746 -3.371 1.00 0.00 N ATOM 113 CA GLU A 11 0.588 -13.381 -3.699 1.00 0.00 C ATOM 114 C GLU A 11 0.850 -11.910 -3.388 1.00 0.00 C ATOM 115 O GLU A 11 1.943 -11.540 -2.957 1.00 0.00 O ATOM 116 CB GLU A 11 0.873 -13.660 -5.176 1.00 0.00 C ATOM 117 CG GLU A 11 0.423 -12.544 -6.105 1.00 0.00 C ATOM 118 CD GLU A 11 0.224 -13.019 -7.531 1.00 0.00 C ATOM 119 OE1 GLU A 11 1.134 -13.684 -8.069 1.00 0.00 O ATOM 120 OE2 GLU A 11 -0.842 -12.723 -8.110 1.00 0.00 O ATOM 0 H GLU A 11 -1.252 -14.314 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 11 1.255 -13.988 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.943 -13.821 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.374 -14.585 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.510 -12.120 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.164 -11.744 -6.092 1.00 0.00 H new ATOM 127 N LEU A 12 -0.159 -11.076 -3.610 1.00 0.00 N ATOM 128 CA LEU A 12 -0.040 -9.645 -3.355 1.00 0.00 C ATOM 129 C LEU A 12 -0.193 -9.342 -1.868 1.00 0.00 C ATOM 130 O LEU A 12 0.643 -8.663 -1.271 1.00 0.00 O ATOM 131 CB LEU A 12 -1.091 -8.874 -4.154 1.00 0.00 C ATOM 132 CG LEU A 12 -1.362 -7.439 -3.701 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.232 -6.519 -4.137 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.694 -6.948 -4.248 1.00 0.00 C ATOM 0 H LEU A 12 -1.070 -11.366 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 12 0.953 -9.327 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.779 -8.851 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.028 -9.429 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.414 -7.426 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.442 -5.502 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.705 -6.858 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.147 -6.536 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.869 -5.925 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.673 -6.976 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.496 -7.590 -3.884 1.00 0.00 H new ATOM 146 N LEU A 13 -1.267 -9.853 -1.273 1.00 0.00 N ATOM 147 CA LEU A 13 -1.529 -9.639 0.146 1.00 0.00 C ATOM 148 C LEU A 13 -0.293 -9.956 0.982 1.00 0.00 C ATOM 149 O LEU A 13 0.273 -9.073 1.628 1.00 0.00 O ATOM 150 CB LEU A 13 -2.703 -10.507 0.603 1.00 0.00 C ATOM 151 CG LEU A 13 -2.892 -10.638 2.115 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.207 -9.284 2.734 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.994 -11.640 2.430 1.00 0.00 C ATOM 0 H LEU A 13 -1.969 -10.418 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.782 -8.589 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.619 -10.098 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.575 -11.506 0.185 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.961 -11.004 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.338 -9.398 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.385 -8.595 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.124 -8.888 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.115 -11.720 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.930 -11.303 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.727 -12.615 2.021 1.00 0.00 H new ATOM 165 N ARG A 14 0.120 -11.218 0.963 1.00 0.00 N ATOM 166 CA ARG A 14 1.291 -11.650 1.719 1.00 0.00 C ATOM 167 C ARG A 14 2.458 -10.691 1.508 1.00 0.00 C ATOM 168 O ARG A 14 3.059 -10.210 2.468 1.00 0.00 O ATOM 169 CB ARG A 14 1.698 -13.065 1.304 1.00 0.00 C ATOM 170 CG ARG A 14 0.642 -14.116 1.606 1.00 0.00 C ATOM 171 CD ARG A 14 1.260 -15.498 1.757 1.00 0.00 C ATOM 172 NE ARG A 14 2.000 -15.632 3.009 1.00 0.00 N ATOM 173 CZ ARG A 14 2.268 -16.800 3.582 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.859 -17.929 3.018 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.947 -16.842 4.721 1.00 0.00 N ATOM 0 H ARG A 14 -0.338 -11.960 0.433 1.00 0.00 H new ATOM 0 HA ARG A 14 1.030 -11.650 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.912 -13.074 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.622 -13.333 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.114 -13.850 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.097 -14.132 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.475 -16.253 1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.929 -15.690 0.918 1.00 0.00 H new ATOM 0 HE ARG A 14 2.329 -14.783 3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.337 -17.902 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.066 -18.824 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.264 -15.977 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.152 -17.740 5.160 1.00 0.00 H new ATOM 189 N TRP A 15 2.773 -10.417 0.247 1.00 0.00 N ATOM 190 CA TRP A 15 3.869 -9.516 -0.089 1.00 0.00 C ATOM 191 C TRP A 15 3.720 -8.183 0.636 1.00 0.00 C ATOM 192 O TRP A 15 4.685 -7.656 1.191 1.00 0.00 O ATOM 193 CB TRP A 15 3.922 -9.286 -1.600 1.00 0.00 C ATOM 194 CG TRP A 15 4.957 -8.283 -2.013 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.312 -8.454 -2.006 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.720 -6.954 -2.490 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.932 -7.311 -2.450 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.978 -6.377 -2.754 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.570 -6.196 -2.721 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.114 -5.078 -3.237 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.706 -4.908 -3.200 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.970 -4.359 -3.454 1.00 0.00 C ATOM 0 H TRP A 15 2.285 -10.806 -0.560 1.00 0.00 H new ATOM 0 HA TRP A 15 4.801 -9.981 0.234 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.126 -10.234 -2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.944 -8.950 -1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.821 -9.355 -1.697 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.940 -7.180 -2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.591 -6.610 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.087 -4.653 -3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.823 -4.314 -3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.043 -3.349 -3.828 1.00 0.00 H new ATOM 213 N CYS A 16 2.506 -7.643 0.627 1.00 0.00 N ATOM 214 CA CYS A 16 2.231 -6.370 1.284 1.00 0.00 C ATOM 215 C CYS A 16 2.425 -6.484 2.793 1.00 0.00 C ATOM 216 O CYS A 16 3.055 -5.628 3.413 1.00 0.00 O ATOM 217 CB CYS A 16 0.806 -5.910 0.975 1.00 0.00 C ATOM 218 SG CYS A 16 0.559 -5.371 -0.734 1.00 0.00 S ATOM 0 H CYS A 16 1.697 -8.067 0.172 1.00 0.00 H new ATOM 0 HA CYS A 16 2.935 -5.632 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.117 -6.727 1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.547 -5.090 1.645 1.00 0.00 H new ATOM 0 HG CYS A 16 1.665 -5.521 -1.400 1.00 0.00 H new ATOM 224 N GLN A 17 1.876 -7.546 3.377 1.00 0.00 N ATOM 225 CA GLN A 17 1.987 -7.768 4.813 1.00 0.00 C ATOM 226 C GLN A 17 3.433 -7.627 5.276 1.00 0.00 C ATOM 227 O GLN A 17 3.711 -6.981 6.287 1.00 0.00 O ATOM 228 CB GLN A 17 1.457 -9.156 5.178 1.00 0.00 C ATOM 229 CG GLN A 17 -0.060 -9.232 5.235 1.00 0.00 C ATOM 230 CD GLN A 17 -0.565 -10.632 5.523 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.064 -11.621 5.145 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.706 -10.724 6.195 1.00 0.00 N ATOM 0 H GLN A 17 1.351 -8.264 2.878 1.00 0.00 H new ATOM 0 HA GLN A 17 1.387 -7.012 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.822 -9.879 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.864 -9.448 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.425 -8.553 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.473 -8.889 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.194 -9.878 6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.094 -11.641 6.417 1.00 0.00 H new ATOM 241 N GLU A 18 4.351 -8.235 4.531 1.00 0.00 N ATOM 242 CA GLU A 18 5.769 -8.177 4.866 1.00 0.00 C ATOM 243 C GLU A 18 6.276 -6.738 4.837 1.00 0.00 C ATOM 244 O GLU A 18 6.998 -6.306 5.734 1.00 0.00 O ATOM 245 CB GLU A 18 6.581 -9.035 3.895 1.00 0.00 C ATOM 246 CG GLU A 18 6.151 -10.492 3.865 1.00 0.00 C ATOM 247 CD GLU A 18 6.686 -11.283 5.044 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.919 -11.465 5.127 1.00 0.00 O ATOM 249 OE2 GLU A 18 5.871 -11.720 5.884 1.00 0.00 O ATOM 0 H GLU A 18 4.138 -8.773 3.691 1.00 0.00 H new ATOM 0 HA GLU A 18 5.894 -8.568 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.491 -8.618 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.635 -8.981 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.062 -10.546 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.497 -10.950 2.938 1.00 0.00 H new ATOM 256 N GLN A 19 5.892 -6.003 3.799 1.00 0.00 N ATOM 257 CA GLN A 19 6.310 -4.613 3.651 1.00 0.00 C ATOM 258 C GLN A 19 5.728 -3.749 4.764 1.00 0.00 C ATOM 259 O GLN A 19 6.463 -3.145 5.546 1.00 0.00 O ATOM 260 CB GLN A 19 5.876 -4.070 2.288 1.00 0.00 C ATOM 261 CG GLN A 19 6.430 -4.861 1.114 1.00 0.00 C ATOM 262 CD GLN A 19 7.834 -5.375 1.367 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.723 -4.620 1.758 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.040 -6.669 1.145 1.00 0.00 N ATOM 0 H GLN A 19 5.293 -6.346 3.048 1.00 0.00 H new ATOM 0 HA GLN A 19 7.397 -4.578 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.787 -4.072 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.198 -3.032 2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.771 -5.704 0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.433 -4.230 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.274 -7.259 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.964 -7.072 1.299 1.00 0.00 H new ATOM 273 N THR A 20 4.401 -3.693 4.831 1.00 0.00 N ATOM 274 CA THR A 20 3.719 -2.902 5.847 1.00 0.00 C ATOM 275 C THR A 20 4.127 -3.339 7.250 1.00 0.00 C ATOM 276 O THR A 20 4.102 -2.544 8.190 1.00 0.00 O ATOM 277 CB THR A 20 2.189 -3.013 5.712 1.00 0.00 C ATOM 278 OG1 THR A 20 1.777 -4.371 5.903 1.00 0.00 O ATOM 279 CG2 THR A 20 1.729 -2.525 4.347 1.00 0.00 C ATOM 0 H THR A 20 3.777 -4.187 4.193 1.00 0.00 H new ATOM 0 HA THR A 20 4.016 -1.865 5.692 1.00 0.00 H new ATOM 0 HB THR A 20 1.733 -2.385 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.101 -4.919 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.645 -2.613 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.018 -1.482 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.194 -3.130 3.569 1.00 0.00 H new ATOM 287 N ALA A 21 4.504 -4.606 7.383 1.00 0.00 N ATOM 288 CA ALA A 21 4.921 -5.147 8.671 1.00 0.00 C ATOM 289 C ALA A 21 5.958 -4.248 9.335 1.00 0.00 C ATOM 290 O ALA A 21 6.763 -3.609 8.659 1.00 0.00 O ATOM 291 CB ALA A 21 5.473 -6.555 8.498 1.00 0.00 C ATOM 0 H ALA A 21 4.529 -5.277 6.615 1.00 0.00 H new ATOM 0 HA ALA A 21 4.046 -5.188 9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.781 -6.947 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.702 -7.199 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.332 -6.529 7.828 1.00 0.00 H new ATOM 297 N GLY A 22 5.932 -4.203 10.664 1.00 0.00 N ATOM 298 CA GLY A 22 6.874 -3.377 11.397 1.00 0.00 C ATOM 299 C GLY A 22 6.296 -2.026 11.767 1.00 0.00 C ATOM 300 O GLY A 22 6.412 -1.586 12.911 1.00 0.00 O ATOM 0 H GLY A 22 5.276 -4.724 11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.180 -3.898 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.771 -3.232 10.794 1.00 0.00 H new ATOM 304 N TYR A 23 5.671 -1.366 10.797 1.00 0.00 N ATOM 305 CA TYR A 23 5.076 -0.055 11.027 1.00 0.00 C ATOM 306 C TYR A 23 4.162 -0.078 12.248 1.00 0.00 C ATOM 307 O TYR A 23 3.250 -0.897 12.359 1.00 0.00 O ATOM 308 CB TYR A 23 4.288 0.393 9.795 1.00 0.00 C ATOM 309 CG TYR A 23 3.981 1.873 9.778 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.238 2.460 10.795 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.434 2.685 8.745 1.00 0.00 C ATOM 312 CE1 TYR A 23 2.954 3.812 10.783 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.156 4.038 8.726 1.00 0.00 C ATOM 314 CZ TYR A 23 3.415 4.597 9.747 1.00 0.00 C ATOM 315 OH TYR A 23 3.136 5.944 9.732 1.00 0.00 O ATOM 0 H TYR A 23 5.564 -1.717 9.845 1.00 0.00 H new ATOM 0 HA TYR A 23 5.882 0.654 11.213 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.854 0.138 8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.352 -0.164 9.750 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.876 1.849 11.609 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.013 2.251 7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.374 4.252 11.581 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.517 4.655 7.916 1.00 0.00 H new ATOM 0 HH TYR A 23 3.056 6.272 10.652 1.00 0.00 H new ATOM 325 N PRO A 24 4.410 0.846 13.189 1.00 0.00 N ATOM 326 CA PRO A 24 3.621 0.955 14.419 1.00 0.00 C ATOM 327 C PRO A 24 2.207 1.461 14.157 1.00 0.00 C ATOM 328 O PRO A 24 2.004 2.636 13.853 1.00 0.00 O ATOM 329 CB PRO A 24 4.406 1.970 15.256 1.00 0.00 C ATOM 330 CG PRO A 24 5.152 2.787 14.257 1.00 0.00 C ATOM 331 CD PRO A 24 5.481 1.855 13.123 1.00 0.00 C ATOM 0 HA PRO A 24 3.492 -0.011 14.907 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.739 2.589 15.855 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.086 1.472 15.947 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.549 3.626 13.910 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.059 3.205 14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.485 2.374 12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.466 1.404 13.246 1.00 0.00 H new ATOM 339 N GLY A 25 1.231 0.565 14.278 1.00 0.00 N ATOM 340 CA GLY A 25 -0.152 0.941 14.051 1.00 0.00 C ATOM 341 C GLY A 25 -0.652 0.515 12.684 1.00 0.00 C ATOM 342 O GLY A 25 -1.563 1.130 12.130 1.00 0.00 O ATOM 0 H GLY A 25 1.374 -0.413 14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.779 0.490 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.253 2.022 14.151 1.00 0.00 H new ATOM 346 N VAL A 26 -0.054 -0.540 12.139 1.00 0.00 N ATOM 347 CA VAL A 26 -0.443 -1.046 10.829 1.00 0.00 C ATOM 348 C VAL A 26 -0.679 -2.551 10.870 1.00 0.00 C ATOM 349 O VAL A 26 0.259 -3.335 11.014 1.00 0.00 O ATOM 350 CB VAL A 26 0.627 -0.735 9.766 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.374 -1.540 8.501 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.659 0.756 9.462 1.00 0.00 C ATOM 0 H VAL A 26 0.702 -1.060 12.585 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.371 -0.542 10.558 1.00 0.00 H new ATOM 0 HB VAL A 26 1.601 -1.023 10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.140 -1.307 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.407 -2.604 8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.607 -1.287 8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.421 0.958 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.315 1.072 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.894 1.308 10.372 1.00 0.00 H new ATOM 362 N HIS A 27 -1.941 -2.950 10.742 1.00 0.00 N ATOM 363 CA HIS A 27 -2.302 -4.363 10.763 1.00 0.00 C ATOM 364 C HIS A 27 -3.022 -4.759 9.478 1.00 0.00 C ATOM 365 O HIS A 27 -4.252 -4.788 9.425 1.00 0.00 O ATOM 366 CB HIS A 27 -3.189 -4.667 11.972 1.00 0.00 C ATOM 367 CG HIS A 27 -3.725 -6.065 11.985 1.00 0.00 C ATOM 368 ND1 HIS A 27 -4.838 -6.437 12.707 1.00 0.00 N ATOM 369 CD2 HIS A 27 -3.294 -7.184 11.357 1.00 0.00 C ATOM 370 CE1 HIS A 27 -5.069 -7.725 12.525 1.00 0.00 C ATOM 371 NE2 HIS A 27 -4.146 -8.202 11.709 1.00 0.00 N ATOM 0 H HIS A 27 -2.730 -2.315 10.623 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.384 -4.946 10.839 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.617 -4.498 12.884 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.024 -3.966 11.985 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.439 -7.262 10.701 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.875 -8.291 12.968 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.077 -9.169 11.392 1.00 0.00 H new ATOM 380 N VAL A 28 -2.247 -5.064 8.441 1.00 0.00 N ATOM 381 CA VAL A 28 -2.810 -5.460 7.156 1.00 0.00 C ATOM 382 C VAL A 28 -3.158 -6.944 7.141 1.00 0.00 C ATOM 383 O VAL A 28 -2.382 -7.769 6.658 1.00 0.00 O ATOM 384 CB VAL A 28 -1.836 -5.161 6.000 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.410 -5.648 4.679 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.524 -3.673 5.940 1.00 0.00 C ATOM 0 H VAL A 28 -1.228 -5.044 8.466 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.719 -4.875 7.016 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.905 -5.697 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.708 -5.428 3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.578 -6.724 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.355 -5.142 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.835 -3.479 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.446 -3.114 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.067 -3.359 6.879 1.00 0.00 H new ATOM 396 N SER A 29 -4.329 -7.277 7.673 1.00 0.00 N ATOM 397 CA SER A 29 -4.780 -8.663 7.724 1.00 0.00 C ATOM 398 C SER A 29 -5.441 -9.068 6.410 1.00 0.00 C ATOM 399 O SER A 29 -5.649 -10.253 6.146 1.00 0.00 O ATOM 400 CB SER A 29 -5.757 -8.862 8.884 1.00 0.00 C ATOM 401 OG SER A 29 -7.060 -8.428 8.532 1.00 0.00 O ATOM 0 H SER A 29 -4.983 -6.606 8.075 1.00 0.00 H new ATOM 0 HA SER A 29 -3.908 -9.297 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.784 -9.915 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.409 -8.309 9.756 1.00 0.00 H new ATOM 0 HG SER A 29 -7.468 -9.079 7.923 1.00 0.00 H new ATOM 407 N ASP A 30 -5.772 -8.077 5.592 1.00 0.00 N ATOM 408 CA ASP A 30 -6.410 -8.327 4.305 1.00 0.00 C ATOM 409 C ASP A 30 -6.409 -7.069 3.442 1.00 0.00 C ATOM 410 O ASP A 30 -5.881 -6.029 3.842 1.00 0.00 O ATOM 411 CB ASP A 30 -7.844 -8.819 4.509 1.00 0.00 C ATOM 412 CG ASP A 30 -8.478 -8.247 5.762 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.673 -7.015 5.820 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.782 -9.033 6.684 1.00 0.00 O ATOM 0 H ASP A 30 -5.609 -7.091 5.797 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.839 -9.099 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.446 -8.545 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.847 -9.907 4.568 1.00 0.00 H new ATOM 419 N LEU A 31 -7.001 -7.168 2.258 1.00 0.00 N ATOM 420 CA LEU A 31 -7.068 -6.039 1.337 1.00 0.00 C ATOM 421 C LEU A 31 -8.503 -5.542 1.188 1.00 0.00 C ATOM 422 O LEU A 31 -8.893 -5.051 0.129 1.00 0.00 O ATOM 423 CB LEU A 31 -6.508 -6.435 -0.029 1.00 0.00 C ATOM 424 CG LEU A 31 -5.255 -7.312 -0.014 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.152 -8.116 -1.299 1.00 0.00 C ATOM 426 CD2 LEU A 31 -4.011 -6.461 0.187 1.00 0.00 C ATOM 0 H LEU A 31 -7.442 -8.020 1.912 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.464 -5.230 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.288 -6.960 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.283 -5.525 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.332 -8.009 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.255 -8.734 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.029 -8.755 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.098 -7.437 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.129 -7.102 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.928 -5.740 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.083 -5.930 1.136 1.00 0.00 H new ATOM 438 N SER A 32 -9.282 -5.672 2.256 1.00 0.00 N ATOM 439 CA SER A 32 -10.675 -5.238 2.244 1.00 0.00 C ATOM 440 C SER A 32 -10.895 -4.089 3.223 1.00 0.00 C ATOM 441 O SER A 32 -11.060 -2.937 2.819 1.00 0.00 O ATOM 442 CB SER A 32 -11.598 -6.406 2.596 1.00 0.00 C ATOM 443 OG SER A 32 -11.615 -7.373 1.559 1.00 0.00 O ATOM 0 H SER A 32 -8.973 -6.074 3.141 1.00 0.00 H new ATOM 0 HA SER A 32 -10.911 -4.887 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.265 -6.870 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.609 -6.036 2.769 1.00 0.00 H new ATOM 0 HG SER A 32 -12.211 -8.110 1.809 1.00 0.00 H new ATOM 449 N SER A 33 -10.895 -4.410 4.512 1.00 0.00 N ATOM 450 CA SER A 33 -11.099 -3.406 5.550 1.00 0.00 C ATOM 451 C SER A 33 -9.899 -3.346 6.491 1.00 0.00 C ATOM 452 O SER A 33 -10.054 -3.215 7.705 1.00 0.00 O ATOM 453 CB SER A 33 -12.369 -3.713 6.345 1.00 0.00 C ATOM 454 OG SER A 33 -13.502 -3.769 5.495 1.00 0.00 O ATOM 0 H SER A 33 -10.756 -5.357 4.863 1.00 0.00 H new ATOM 0 HA SER A 33 -11.208 -2.436 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.254 -4.663 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.519 -2.948 7.106 1.00 0.00 H new ATOM 0 HG SER A 33 -14.301 -3.968 6.027 1.00 0.00 H new ATOM 460 N SER A 34 -8.702 -3.443 5.920 1.00 0.00 N ATOM 461 CA SER A 34 -7.475 -3.404 6.706 1.00 0.00 C ATOM 462 C SER A 34 -6.580 -2.253 6.259 1.00 0.00 C ATOM 463 O SER A 34 -5.640 -1.876 6.959 1.00 0.00 O ATOM 464 CB SER A 34 -6.721 -4.730 6.581 1.00 0.00 C ATOM 465 OG SER A 34 -7.166 -5.663 7.550 1.00 0.00 O ATOM 0 H SER A 34 -8.557 -3.549 4.916 1.00 0.00 H new ATOM 0 HA SER A 34 -7.747 -3.246 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.866 -5.141 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.652 -4.557 6.703 1.00 0.00 H new ATOM 0 HG SER A 34 -7.847 -6.246 7.154 1.00 0.00 H new ATOM 471 N TRP A 35 -6.879 -1.699 5.090 1.00 0.00 N ATOM 472 CA TRP A 35 -6.101 -0.590 4.548 1.00 0.00 C ATOM 473 C TRP A 35 -6.844 0.730 4.719 1.00 0.00 C ATOM 474 O TRP A 35 -6.247 1.803 4.639 1.00 0.00 O ATOM 475 CB TRP A 35 -5.797 -0.829 3.068 1.00 0.00 C ATOM 476 CG TRP A 35 -5.010 -2.081 2.819 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.424 -3.365 3.028 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.672 -2.166 2.314 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.425 -4.243 2.685 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.341 -3.533 2.243 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.724 -1.221 1.914 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.101 -3.975 1.789 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.494 -1.661 1.464 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.191 -3.029 1.403 1.00 0.00 C ATOM 0 H TRP A 35 -7.654 -1.999 4.499 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.163 -0.533 5.100 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.735 -0.882 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.243 0.024 2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.395 -3.649 3.407 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.482 -5.259 2.749 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.949 -0.165 1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.866 -5.028 1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.753 -0.939 1.154 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.221 -3.342 1.045 1.00 0.00 H new ATOM 495 N ALA A 36 -8.149 0.644 4.956 1.00 0.00 N ATOM 496 CA ALA A 36 -8.972 1.832 5.142 1.00 0.00 C ATOM 497 C ALA A 36 -8.269 2.853 6.032 1.00 0.00 C ATOM 498 O ALA A 36 -8.159 4.027 5.679 1.00 0.00 O ATOM 499 CB ALA A 36 -10.322 1.454 5.734 1.00 0.00 C ATOM 0 H ALA A 36 -8.659 -0.237 5.024 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.132 2.288 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.925 2.352 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.836 0.768 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.173 0.970 6.700 1.00 0.00 H new ATOM 505 N ASP A 37 -7.798 2.397 7.187 1.00 0.00 N ATOM 506 CA ASP A 37 -7.107 3.271 8.128 1.00 0.00 C ATOM 507 C ASP A 37 -6.260 4.303 7.390 1.00 0.00 C ATOM 508 O ASP A 37 -6.141 5.448 7.824 1.00 0.00 O ATOM 509 CB ASP A 37 -6.226 2.448 9.068 1.00 0.00 C ATOM 510 CG ASP A 37 -5.619 1.240 8.383 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.022 1.412 7.299 1.00 0.00 O ATOM 512 OD2 ASP A 37 -5.739 0.124 8.928 1.00 0.00 O ATOM 0 H ASP A 37 -7.882 1.428 7.494 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.859 3.798 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.428 3.079 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.819 2.118 9.921 1.00 0.00 H new ATOM 517 N GLY A 38 -5.671 3.888 6.272 1.00 0.00 N ATOM 518 CA GLY A 38 -4.842 4.787 5.492 1.00 0.00 C ATOM 519 C GLY A 38 -3.361 4.547 5.712 1.00 0.00 C ATOM 520 O GLY A 38 -2.574 4.570 4.764 1.00 0.00 O ATOM 0 H GLY A 38 -5.754 2.945 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.074 4.664 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.083 5.817 5.753 1.00 0.00 H new ATOM 524 N LEU A 39 -2.980 4.318 6.964 1.00 0.00 N ATOM 525 CA LEU A 39 -1.582 4.074 7.305 1.00 0.00 C ATOM 526 C LEU A 39 -1.000 2.956 6.447 1.00 0.00 C ATOM 527 O LEU A 39 0.103 3.080 5.914 1.00 0.00 O ATOM 528 CB LEU A 39 -1.455 3.715 8.786 1.00 0.00 C ATOM 529 CG LEU A 39 -1.242 4.888 9.745 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.332 4.420 11.188 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.100 5.556 9.482 1.00 0.00 C ATOM 0 H LEU A 39 -3.618 4.296 7.759 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.020 4.987 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.357 3.183 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.622 3.022 8.901 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.030 5.621 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.178 5.268 11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.316 3.989 11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.566 3.667 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.234 6.388 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.902 4.832 9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.127 5.928 8.458 1.00 0.00 H new ATOM 543 N ALA A 40 -1.747 1.865 6.317 1.00 0.00 N ATOM 544 CA ALA A 40 -1.308 0.727 5.520 1.00 0.00 C ATOM 545 C ALA A 40 -0.546 1.186 4.281 1.00 0.00 C ATOM 546 O ALA A 40 0.654 0.940 4.151 1.00 0.00 O ATOM 547 CB ALA A 40 -2.498 -0.132 5.122 1.00 0.00 C ATOM 0 H ALA A 40 -2.661 1.745 6.754 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.632 0.128 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.153 -0.978 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.998 -0.499 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.197 0.464 4.535 1.00 0.00 H new ATOM 553 N LEU A 41 -1.250 1.853 3.374 1.00 0.00 N ATOM 554 CA LEU A 41 -0.641 2.346 2.144 1.00 0.00 C ATOM 555 C LEU A 41 0.607 3.170 2.447 1.00 0.00 C ATOM 556 O LEU A 41 1.576 3.148 1.687 1.00 0.00 O ATOM 557 CB LEU A 41 -1.644 3.191 1.357 1.00 0.00 C ATOM 558 CG LEU A 41 -2.510 2.437 0.346 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.567 3.358 -0.243 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.645 1.841 -0.755 1.00 0.00 C ATOM 0 H LEU A 41 -2.243 2.065 3.467 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.350 1.485 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.302 3.692 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.096 3.969 0.826 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.016 1.623 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.173 2.804 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.205 3.737 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.081 4.193 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.277 1.308 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.112 2.639 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.926 1.148 -0.318 1.00 0.00 H new ATOM 572 N CYS A 42 0.577 3.892 3.560 1.00 0.00 N ATOM 573 CA CYS A 42 1.707 4.722 3.964 1.00 0.00 C ATOM 574 C CYS A 42 2.919 3.861 4.304 1.00 0.00 C ATOM 575 O CYS A 42 4.030 4.127 3.846 1.00 0.00 O ATOM 576 CB CYS A 42 1.326 5.587 5.167 1.00 0.00 C ATOM 577 SG CYS A 42 -0.295 6.375 5.027 1.00 0.00 S ATOM 0 H CYS A 42 -0.217 3.920 4.200 1.00 0.00 H new ATOM 0 HA CYS A 42 1.968 5.371 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.341 4.969 6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.083 6.360 5.300 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.220 5.462 5.000 1.00 0.00 H new ATOM 583 N ALA A 43 2.697 2.829 5.113 1.00 0.00 N ATOM 584 CA ALA A 43 3.771 1.929 5.514 1.00 0.00 C ATOM 585 C ALA A 43 4.411 1.262 4.301 1.00 0.00 C ATOM 586 O ALA A 43 5.631 1.112 4.233 1.00 0.00 O ATOM 587 CB ALA A 43 3.246 0.879 6.481 1.00 0.00 C ATOM 0 H ALA A 43 1.784 2.596 5.503 1.00 0.00 H new ATOM 0 HA ALA A 43 4.537 2.519 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.059 0.214 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.843 1.369 7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.459 0.300 5.998 1.00 0.00 H new ATOM 593 N LEU A 44 3.579 0.861 3.345 1.00 0.00 N ATOM 594 CA LEU A 44 4.063 0.208 2.134 1.00 0.00 C ATOM 595 C LEU A 44 4.966 1.143 1.335 1.00 0.00 C ATOM 596 O LEU A 44 6.046 0.752 0.891 1.00 0.00 O ATOM 597 CB LEU A 44 2.886 -0.244 1.268 1.00 0.00 C ATOM 598 CG LEU A 44 3.231 -0.701 -0.149 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.920 -2.056 -0.120 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.977 -0.756 -1.011 1.00 0.00 C ATOM 0 H LEU A 44 2.566 0.977 3.386 1.00 0.00 H new ATOM 0 HA LEU A 44 4.644 -0.665 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.379 -1.063 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.174 0.579 1.200 1.00 0.00 H new ATOM 0 HG LEU A 44 3.918 0.023 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.158 -2.365 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.839 -1.985 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.258 -2.791 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.241 -1.083 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.267 -1.459 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.525 0.235 -1.059 1.00 0.00 H new ATOM 612 N VAL A 45 4.518 2.382 1.158 1.00 0.00 N ATOM 613 CA VAL A 45 5.287 3.374 0.416 1.00 0.00 C ATOM 614 C VAL A 45 6.603 3.686 1.117 1.00 0.00 C ATOM 615 O VAL A 45 7.681 3.439 0.575 1.00 0.00 O ATOM 616 CB VAL A 45 4.491 4.681 0.236 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.317 5.710 -0.521 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.176 4.409 -0.480 1.00 0.00 C ATOM 0 H VAL A 45 3.627 2.723 1.518 1.00 0.00 H new ATOM 0 HA VAL A 45 5.494 2.945 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 45 4.265 5.087 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.738 6.626 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.229 5.926 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.577 5.316 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.626 5.343 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.378 3.979 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.580 3.710 0.107 1.00 0.00 H new ATOM 628 N TYR A 46 6.510 4.230 2.325 1.00 0.00 N ATOM 629 CA TYR A 46 7.695 4.578 3.101 1.00 0.00 C ATOM 630 C TYR A 46 8.724 3.453 3.057 1.00 0.00 C ATOM 631 O TYR A 46 9.903 3.686 2.792 1.00 0.00 O ATOM 632 CB TYR A 46 7.310 4.877 4.551 1.00 0.00 C ATOM 633 CG TYR A 46 6.662 6.229 4.740 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.347 7.398 4.433 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.364 6.339 5.226 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.760 8.637 4.604 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.769 7.572 5.399 1.00 0.00 C ATOM 638 CZ TYR A 46 5.470 8.719 5.087 1.00 0.00 C ATOM 639 OH TYR A 46 4.880 9.949 5.260 1.00 0.00 O ATOM 0 H TYR A 46 5.626 4.440 2.789 1.00 0.00 H new ATOM 0 HA TYR A 46 8.140 5.470 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.627 4.104 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.203 4.821 5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.356 7.337 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.812 5.444 5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.307 9.536 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.759 7.639 5.777 1.00 0.00 H new ATOM 0 HH TYR A 46 4.445 10.223 4.426 1.00 0.00 H new ATOM 649 N ARG A 47 8.269 2.232 3.317 1.00 0.00 N ATOM 650 CA ARG A 47 9.150 1.070 3.308 1.00 0.00 C ATOM 651 C ARG A 47 9.798 0.890 1.939 1.00 0.00 C ATOM 652 O ARG A 47 11.019 0.970 1.803 1.00 0.00 O ATOM 653 CB ARG A 47 8.369 -0.190 3.686 1.00 0.00 C ATOM 654 CG ARG A 47 8.339 -0.465 5.180 1.00 0.00 C ATOM 655 CD ARG A 47 9.510 -1.334 5.610 1.00 0.00 C ATOM 656 NE ARG A 47 9.785 -1.214 7.039 1.00 0.00 N ATOM 657 CZ ARG A 47 10.363 -0.152 7.590 1.00 0.00 C ATOM 658 NH1 ARG A 47 10.725 0.876 6.835 1.00 0.00 N ATOM 659 NH2 ARG A 47 10.581 -0.118 8.898 1.00 0.00 N ATOM 0 H ARG A 47 7.295 2.021 3.537 1.00 0.00 H new ATOM 0 HA ARG A 47 9.937 1.235 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.346 -0.095 3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.810 -1.047 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.365 0.478 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.403 -0.958 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.297 -2.375 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.398 -1.051 5.045 1.00 0.00 H new ATOM 0 HE ARG A 47 9.519 -1.988 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.560 0.853 5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.169 1.690 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.305 -0.908 9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.025 0.698 9.320 1.00 0.00 H new ATOM 673 N LEU A 48 8.972 0.646 0.927 1.00 0.00 N ATOM 674 CA LEU A 48 9.464 0.454 -0.432 1.00 0.00 C ATOM 675 C LEU A 48 10.663 1.354 -0.710 1.00 0.00 C ATOM 676 O LEU A 48 11.630 0.937 -1.348 1.00 0.00 O ATOM 677 CB LEU A 48 8.353 0.739 -1.444 1.00 0.00 C ATOM 678 CG LEU A 48 7.403 -0.421 -1.743 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.223 0.057 -2.576 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.142 -1.544 -2.456 1.00 0.00 C ATOM 0 H LEU A 48 7.959 0.577 1.022 1.00 0.00 H new ATOM 0 HA LEU A 48 9.781 -0.584 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.764 1.580 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.814 1.055 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 48 7.021 -0.807 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.557 -0.782 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.679 0.827 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.586 0.469 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.451 -2.362 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.552 -1.171 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.953 -1.905 -1.824 1.00 0.00 H new ATOM 692 N GLN A 49 10.595 2.589 -0.223 1.00 0.00 N ATOM 693 CA GLN A 49 11.677 3.547 -0.418 1.00 0.00 C ATOM 694 C GLN A 49 12.051 4.221 0.899 1.00 0.00 C ATOM 695 O GLN A 49 11.392 5.156 1.355 1.00 0.00 O ATOM 696 CB GLN A 49 11.272 4.604 -1.448 1.00 0.00 C ATOM 697 CG GLN A 49 11.616 4.222 -2.878 1.00 0.00 C ATOM 698 CD GLN A 49 11.040 5.188 -3.895 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.311 4.791 -4.803 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.368 6.467 -3.747 1.00 0.00 N ATOM 0 H GLN A 49 9.803 2.949 0.309 1.00 0.00 H new ATOM 0 HA GLN A 49 12.547 3.004 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.198 4.778 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.764 5.545 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.700 4.186 -2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.241 3.219 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.976 6.752 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.012 7.164 -4.401 1.00 0.00 H new ATOM 709 N PRO A 50 13.134 3.737 1.525 1.00 0.00 N ATOM 710 CA PRO A 50 13.619 4.277 2.797 1.00 0.00 C ATOM 711 C PRO A 50 14.211 5.674 2.646 1.00 0.00 C ATOM 712 O PRO A 50 14.589 6.309 3.630 1.00 0.00 O ATOM 713 CB PRO A 50 14.702 3.280 3.217 1.00 0.00 C ATOM 714 CG PRO A 50 15.169 2.670 1.940 1.00 0.00 C ATOM 715 CD PRO A 50 13.966 2.624 1.039 1.00 0.00 C ATOM 0 HA PRO A 50 12.816 4.386 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.518 3.779 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.304 2.525 3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.968 3.262 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.569 1.670 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.242 2.756 -0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.444 1.670 1.113 1.00 0.00 H new ATOM 723 N GLY A 51 14.289 6.148 1.406 1.00 0.00 N ATOM 724 CA GLY A 51 14.836 7.467 1.148 1.00 0.00 C ATOM 725 C GLY A 51 13.822 8.570 1.379 1.00 0.00 C ATOM 726 O GLY A 51 14.144 9.609 1.957 1.00 0.00 O ATOM 0 H GLY A 51 13.983 5.641 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.700 7.631 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.192 7.515 0.119 1.00 0.00 H new ATOM 730 N LEU A 52 12.594 8.346 0.925 1.00 0.00 N ATOM 731 CA LEU A 52 11.529 9.331 1.083 1.00 0.00 C ATOM 732 C LEU A 52 11.325 9.681 2.553 1.00 0.00 C ATOM 733 O LEU A 52 11.626 8.882 3.441 1.00 0.00 O ATOM 734 CB LEU A 52 10.223 8.799 0.488 1.00 0.00 C ATOM 735 CG LEU A 52 10.020 9.040 -1.008 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.201 7.916 -1.623 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.348 10.384 -1.245 1.00 0.00 C ATOM 0 H LEU A 52 12.311 7.492 0.445 1.00 0.00 H new ATOM 0 HA LEU A 52 11.822 10.236 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.174 7.726 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.391 9.254 1.025 1.00 0.00 H new ATOM 0 HG LEU A 52 10.997 9.055 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.067 8.104 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.722 6.969 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.226 7.868 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.211 10.539 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.377 10.398 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.973 11.180 -0.840 1.00 0.00 H new ATOM 749 N LEU A 53 10.811 10.880 2.804 1.00 0.00 N ATOM 750 CA LEU A 53 10.564 11.337 4.168 1.00 0.00 C ATOM 751 C LEU A 53 9.866 10.255 4.987 1.00 0.00 C ATOM 752 O LEU A 53 9.487 9.211 4.457 1.00 0.00 O ATOM 753 CB LEU A 53 9.715 12.609 4.155 1.00 0.00 C ATOM 754 CG LEU A 53 8.275 12.451 3.665 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.200 11.412 2.556 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.358 12.071 4.817 1.00 0.00 C ATOM 0 H LEU A 53 10.557 11.554 2.081 1.00 0.00 H new ATOM 0 HA LEU A 53 11.526 11.554 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.691 13.016 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.212 13.347 3.526 1.00 0.00 H new ATOM 0 HG LEU A 53 7.941 13.407 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.168 11.313 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.825 11.726 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.553 10.452 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.338 11.963 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.690 11.127 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.389 12.850 5.579 1.00 0.00 H new ATOM 768 N GLU A 54 9.698 10.514 6.279 1.00 0.00 N ATOM 769 CA GLU A 54 9.045 9.562 7.170 1.00 0.00 C ATOM 770 C GLU A 54 7.662 10.061 7.579 1.00 0.00 C ATOM 771 O GLU A 54 7.359 11.253 7.513 1.00 0.00 O ATOM 772 CB GLU A 54 9.901 9.324 8.415 1.00 0.00 C ATOM 773 CG GLU A 54 11.009 8.305 8.207 1.00 0.00 C ATOM 774 CD GLU A 54 10.477 6.928 7.859 1.00 0.00 C ATOM 775 OE1 GLU A 54 10.301 6.647 6.655 1.00 0.00 O ATOM 776 OE2 GLU A 54 10.238 6.132 8.792 1.00 0.00 O ATOM 0 H GLU A 54 10.005 11.375 6.733 1.00 0.00 H new ATOM 0 HA GLU A 54 8.929 8.621 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.343 10.270 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.258 8.988 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.668 8.648 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.612 8.239 9.113 1.00 0.00 H new ATOM 783 N PRO A 55 6.800 9.128 8.011 1.00 0.00 N ATOM 784 CA PRO A 55 5.435 9.448 8.439 1.00 0.00 C ATOM 785 C PRO A 55 5.406 10.224 9.752 1.00 0.00 C ATOM 786 O PRO A 55 4.342 10.439 10.332 1.00 0.00 O ATOM 787 CB PRO A 55 4.787 8.072 8.615 1.00 0.00 C ATOM 788 CG PRO A 55 5.924 7.151 8.895 1.00 0.00 C ATOM 789 CD PRO A 55 7.093 7.689 8.116 1.00 0.00 C ATOM 0 HA PRO A 55 4.921 10.087 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.069 8.075 9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.246 7.772 7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.147 7.119 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.686 6.132 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.037 7.508 8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.171 7.222 7.134 1.00 0.00 H new ATOM 797 N SER A 56 6.580 10.640 10.214 1.00 0.00 N ATOM 798 CA SER A 56 6.689 11.390 11.460 1.00 0.00 C ATOM 799 C SER A 56 5.457 12.263 11.678 1.00 0.00 C ATOM 800 O SER A 56 5.006 12.446 12.808 1.00 0.00 O ATOM 801 CB SER A 56 7.949 12.257 11.450 1.00 0.00 C ATOM 802 OG SER A 56 7.988 13.112 12.579 1.00 0.00 O ATOM 0 H SER A 56 7.470 10.471 9.745 1.00 0.00 H new ATOM 0 HA SER A 56 6.756 10.676 12.281 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.833 11.619 11.442 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.977 12.853 10.538 1.00 0.00 H new ATOM 0 HG SER A 56 8.804 13.655 12.550 1.00 0.00 H new ATOM 808 N GLU A 57 4.919 12.799 10.587 1.00 0.00 N ATOM 809 CA GLU A 57 3.740 13.654 10.659 1.00 0.00 C ATOM 810 C GLU A 57 2.461 12.823 10.614 1.00 0.00 C ATOM 811 O GLU A 57 1.518 13.073 11.366 1.00 0.00 O ATOM 812 CB GLU A 57 3.745 14.665 9.510 1.00 0.00 C ATOM 813 CG GLU A 57 4.977 15.554 9.487 1.00 0.00 C ATOM 814 CD GLU A 57 4.695 16.925 8.901 1.00 0.00 C ATOM 815 OE1 GLU A 57 4.504 17.017 7.671 1.00 0.00 O ATOM 816 OE2 GLU A 57 4.668 17.905 9.674 1.00 0.00 O ATOM 0 H GLU A 57 5.280 12.656 9.644 1.00 0.00 H new ATOM 0 HA GLU A 57 3.770 14.191 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.677 14.128 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.856 15.292 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.358 15.668 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.760 15.068 8.905 1.00 0.00 H new ATOM 823 N LEU A 58 2.437 11.833 9.729 1.00 0.00 N ATOM 824 CA LEU A 58 1.274 10.964 9.585 1.00 0.00 C ATOM 825 C LEU A 58 0.874 10.363 10.927 1.00 0.00 C ATOM 826 O LEU A 58 -0.286 10.014 11.141 1.00 0.00 O ATOM 827 CB LEU A 58 1.569 9.848 8.580 1.00 0.00 C ATOM 828 CG LEU A 58 1.259 10.162 7.117 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.138 11.298 6.617 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.446 8.923 6.254 1.00 0.00 C ATOM 0 H LEU A 58 3.209 11.612 9.100 1.00 0.00 H new ATOM 0 HA LEU A 58 0.444 11.567 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.624 9.586 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.999 8.966 8.870 1.00 0.00 H new ATOM 0 HG LEU A 58 0.218 10.476 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.903 11.508 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.956 12.190 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.186 11.012 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.221 9.166 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.477 8.578 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.774 8.136 6.597 1.00 0.00 H new ATOM 842 N GLN A 59 1.842 10.247 11.831 1.00 0.00 N ATOM 843 CA GLN A 59 1.589 9.689 13.154 1.00 0.00 C ATOM 844 C GLN A 59 0.360 10.331 13.789 1.00 0.00 C ATOM 845 O GLN A 59 -0.458 9.652 14.408 1.00 0.00 O ATOM 846 CB GLN A 59 2.808 9.889 14.056 1.00 0.00 C ATOM 847 CG GLN A 59 3.016 11.332 14.488 1.00 0.00 C ATOM 848 CD GLN A 59 4.318 11.537 15.237 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.161 10.640 15.296 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.490 12.719 15.814 1.00 0.00 N ATOM 0 H GLN A 59 2.808 10.532 11.671 1.00 0.00 H new ATOM 0 HA GLN A 59 1.401 8.621 13.041 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.699 9.265 14.943 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.699 9.544 13.531 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.002 11.976 13.608 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.185 11.641 15.122 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.765 13.433 15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.347 12.914 16.332 1.00 0.00 H new ATOM 859 N GLY A 60 0.238 11.646 13.633 1.00 0.00 N ATOM 860 CA GLY A 60 -0.894 12.358 14.197 1.00 0.00 C ATOM 861 C GLY A 60 -1.786 12.965 13.133 1.00 0.00 C ATOM 862 O GLY A 60 -2.121 14.150 13.195 1.00 0.00 O ATOM 0 H GLY A 60 0.903 12.231 13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.480 11.674 14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.531 13.147 14.856 1.00 0.00 H new ATOM 866 N LEU A 61 -2.171 12.155 12.153 1.00 0.00 N ATOM 867 CA LEU A 61 -3.029 12.621 11.069 1.00 0.00 C ATOM 868 C LEU A 61 -4.326 11.820 11.020 1.00 0.00 C ATOM 869 O LEU A 61 -4.409 10.717 11.558 1.00 0.00 O ATOM 870 CB LEU A 61 -2.298 12.510 9.730 1.00 0.00 C ATOM 871 CG LEU A 61 -1.394 13.687 9.360 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.627 13.391 8.081 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.212 14.962 9.210 1.00 0.00 C ATOM 0 H LEU A 61 -1.903 11.173 12.087 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.275 13.666 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.693 11.603 9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.041 12.387 8.942 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.674 13.833 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.010 14.240 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.010 12.504 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.331 13.217 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.552 15.789 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.956 14.827 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.715 15.185 10.151 1.00 0.00 H new ATOM 885 N GLY A 62 -5.340 12.383 10.367 1.00 0.00 N ATOM 886 CA GLY A 62 -6.619 11.707 10.258 1.00 0.00 C ATOM 887 C GLY A 62 -6.550 10.476 9.376 1.00 0.00 C ATOM 888 O GLY A 62 -5.753 10.418 8.440 1.00 0.00 O ATOM 0 H GLY A 62 -5.297 13.295 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.960 11.419 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.359 12.398 9.855 1.00 0.00 H new ATOM 892 N ALA A 63 -7.387 9.488 9.675 1.00 0.00 N ATOM 893 CA ALA A 63 -7.418 8.253 8.901 1.00 0.00 C ATOM 894 C ALA A 63 -7.322 8.537 7.407 1.00 0.00 C ATOM 895 O ALA A 63 -6.806 7.722 6.641 1.00 0.00 O ATOM 896 CB ALA A 63 -8.686 7.469 9.210 1.00 0.00 C ATOM 0 H ALA A 63 -8.052 9.519 10.447 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.553 7.654 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.697 6.549 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.713 7.224 10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.558 8.071 8.954 1.00 0.00 H new ATOM 902 N LEU A 64 -7.821 9.699 6.998 1.00 0.00 N ATOM 903 CA LEU A 64 -7.790 10.092 5.593 1.00 0.00 C ATOM 904 C LEU A 64 -6.472 10.777 5.246 1.00 0.00 C ATOM 905 O LEU A 64 -5.753 10.340 4.348 1.00 0.00 O ATOM 906 CB LEU A 64 -8.961 11.025 5.279 1.00 0.00 C ATOM 907 CG LEU A 64 -9.519 10.948 3.858 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.939 9.524 3.526 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.692 11.904 3.692 1.00 0.00 C ATOM 0 H LEU A 64 -8.251 10.385 7.619 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.878 9.190 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.769 10.808 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.643 12.050 5.468 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.733 11.245 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.334 9.488 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.076 8.863 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.709 9.199 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.076 11.835 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.480 11.638 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.360 12.924 3.887 1.00 0.00 H new ATOM 921 N GLU A 65 -6.161 11.850 5.967 1.00 0.00 N ATOM 922 CA GLU A 65 -4.928 12.592 5.736 1.00 0.00 C ATOM 923 C GLU A 65 -3.778 11.648 5.399 1.00 0.00 C ATOM 924 O GLU A 65 -2.904 11.978 4.599 1.00 0.00 O ATOM 925 CB GLU A 65 -4.572 13.428 6.967 1.00 0.00 C ATOM 926 CG GLU A 65 -5.432 14.671 7.129 1.00 0.00 C ATOM 927 CD GLU A 65 -5.033 15.784 6.179 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.397 15.705 4.987 1.00 0.00 O ATOM 929 OE2 GLU A 65 -4.357 16.733 6.628 1.00 0.00 O ATOM 0 H GLU A 65 -6.745 12.224 6.715 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.089 13.257 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.673 12.808 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.526 13.726 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.477 14.410 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.356 15.030 8.155 1.00 0.00 H new ATOM 936 N ALA A 66 -3.787 10.471 6.016 1.00 0.00 N ATOM 937 CA ALA A 66 -2.747 9.478 5.781 1.00 0.00 C ATOM 938 C ALA A 66 -2.772 8.987 4.338 1.00 0.00 C ATOM 939 O ALA A 66 -1.852 9.251 3.564 1.00 0.00 O ATOM 940 CB ALA A 66 -2.908 8.308 6.742 1.00 0.00 C ATOM 0 H ALA A 66 -4.503 10.182 6.682 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.781 9.951 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.125 7.573 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.832 8.667 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.883 7.845 6.591 1.00 0.00 H new ATOM 946 N THR A 67 -3.832 8.268 3.980 1.00 0.00 N ATOM 947 CA THR A 67 -3.977 7.738 2.631 1.00 0.00 C ATOM 948 C THR A 67 -3.592 8.781 1.587 1.00 0.00 C ATOM 949 O THR A 67 -3.015 8.452 0.551 1.00 0.00 O ATOM 950 CB THR A 67 -5.419 7.268 2.363 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.900 6.506 3.477 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.487 6.426 1.098 1.00 0.00 C ATOM 0 H THR A 67 -4.603 8.040 4.607 1.00 0.00 H new ATOM 0 HA THR A 67 -3.305 6.884 2.553 1.00 0.00 H new ATOM 0 HB THR A 67 -6.047 8.149 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.353 5.701 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.515 6.105 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.147 7.018 0.248 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.847 5.550 1.209 1.00 0.00 H new ATOM 960 N ALA A 68 -3.917 10.039 1.866 1.00 0.00 N ATOM 961 CA ALA A 68 -3.603 11.130 0.953 1.00 0.00 C ATOM 962 C ALA A 68 -2.129 11.115 0.565 1.00 0.00 C ATOM 963 O ALA A 68 -1.788 11.110 -0.618 1.00 0.00 O ATOM 964 CB ALA A 68 -3.973 12.467 1.579 1.00 0.00 C ATOM 0 H ALA A 68 -4.398 10.328 2.718 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.191 10.991 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.733 13.273 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.041 12.483 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.411 12.604 2.503 1.00 0.00 H new ATOM 970 N TRP A 69 -1.259 11.108 1.569 1.00 0.00 N ATOM 971 CA TRP A 69 0.181 11.094 1.332 1.00 0.00 C ATOM 972 C TRP A 69 0.578 9.906 0.464 1.00 0.00 C ATOM 973 O TRP A 69 1.103 10.077 -0.636 1.00 0.00 O ATOM 974 CB TRP A 69 0.936 11.046 2.661 1.00 0.00 C ATOM 975 CG TRP A 69 2.420 10.913 2.496 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.321 11.928 2.335 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.174 9.697 2.475 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.590 11.415 2.214 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.527 10.049 2.298 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.841 8.345 2.590 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.541 9.098 2.232 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.849 7.402 2.524 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.185 7.782 2.348 1.00 0.00 C ATOM 0 H TRP A 69 -1.525 11.112 2.554 1.00 0.00 H new ATOM 0 HA TRP A 69 0.447 12.010 0.804 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.720 11.953 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.566 10.207 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.072 12.979 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.441 11.962 2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.814 8.042 2.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.572 9.388 2.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.602 6.354 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.950 7.021 2.303 1.00 0.00 H new ATOM 994 N ALA A 70 0.324 8.701 0.965 1.00 0.00 N ATOM 995 CA ALA A 70 0.654 7.484 0.233 1.00 0.00 C ATOM 996 C ALA A 70 0.371 7.645 -1.256 1.00 0.00 C ATOM 997 O ALA A 70 1.272 7.528 -2.087 1.00 0.00 O ATOM 998 CB ALA A 70 -0.123 6.303 0.796 1.00 0.00 C ATOM 0 H ALA A 70 -0.109 8.542 1.875 1.00 0.00 H new ATOM 0 HA ALA A 70 1.720 7.294 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.133 5.401 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.133 6.167 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.192 6.494 0.705 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.887 7.914 -1.588 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.290 8.091 -2.980 1.00 0.00 C ATOM 1006 C LEU A 71 -0.415 9.131 -3.672 1.00 0.00 C ATOM 1007 O LEU A 71 -0.191 9.064 -4.881 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.759 8.511 -3.056 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.787 7.410 -2.790 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.079 8.005 -2.253 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.051 6.610 -4.058 1.00 0.00 C ATOM 0 H LEU A 71 -1.645 8.014 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.164 7.138 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.924 9.315 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.947 8.924 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.382 6.735 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.798 7.207 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.877 8.532 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.489 8.703 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.785 5.831 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.435 7.273 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.123 6.152 -4.399 1.00 0.00 H new ATOM 1023 N LYS A 72 0.078 10.091 -2.897 1.00 0.00 N ATOM 1024 CA LYS A 72 0.931 11.144 -3.434 1.00 0.00 C ATOM 1025 C LYS A 72 2.348 10.629 -3.671 1.00 0.00 C ATOM 1026 O LYS A 72 2.782 10.481 -4.814 1.00 0.00 O ATOM 1027 CB LYS A 72 0.966 12.338 -2.477 1.00 0.00 C ATOM 1028 CG LYS A 72 1.279 13.658 -3.162 1.00 0.00 C ATOM 1029 CD LYS A 72 1.959 14.631 -2.213 1.00 0.00 C ATOM 1030 CE LYS A 72 1.739 16.073 -2.642 1.00 0.00 C ATOM 1031 NZ LYS A 72 2.767 16.985 -2.069 1.00 0.00 N ATOM 0 H LYS A 72 -0.099 10.161 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 72 0.514 11.463 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.002 12.419 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.713 12.153 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.923 13.478 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.357 14.101 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.572 14.487 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.028 14.420 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.764 16.136 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.748 16.399 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.582 17.958 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.727 16.944 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.711 16.690 -2.391 1.00 0.00 H new ATOM 1045 N VAL A 73 3.063 10.356 -2.585 1.00 0.00 N ATOM 1046 CA VAL A 73 4.430 9.854 -2.675 1.00 0.00 C ATOM 1047 C VAL A 73 4.514 8.657 -3.615 1.00 0.00 C ATOM 1048 O VAL A 73 5.583 8.337 -4.136 1.00 0.00 O ATOM 1049 CB VAL A 73 4.971 9.448 -1.292 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.290 8.703 -1.433 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.132 10.671 -0.402 1.00 0.00 C ATOM 0 H VAL A 73 2.719 10.474 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 73 5.041 10.666 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 73 4.251 8.778 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.658 8.424 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.138 7.804 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.021 9.346 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.515 10.365 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.831 11.368 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.165 11.158 -0.274 1.00 0.00 H new ATOM 1061 N ALA A 74 3.380 7.997 -3.828 1.00 0.00 N ATOM 1062 CA ALA A 74 3.324 6.836 -4.707 1.00 0.00 C ATOM 1063 C ALA A 74 3.198 7.258 -6.167 1.00 0.00 C ATOM 1064 O ALA A 74 3.820 6.667 -7.048 1.00 0.00 O ATOM 1065 CB ALA A 74 2.165 5.932 -4.314 1.00 0.00 C ATOM 0 H ALA A 74 2.487 8.247 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 74 4.256 6.282 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.135 5.069 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.299 5.594 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.229 6.485 -4.395 1.00 0.00 H new ATOM 1071 N GLU A 75 2.387 8.282 -6.414 1.00 0.00 N ATOM 1072 CA GLU A 75 2.179 8.780 -7.768 1.00 0.00 C ATOM 1073 C GLU A 75 3.338 9.674 -8.203 1.00 0.00 C ATOM 1074 O GLU A 75 3.567 9.875 -9.395 1.00 0.00 O ATOM 1075 CB GLU A 75 0.863 9.556 -7.853 1.00 0.00 C ATOM 1076 CG GLU A 75 0.524 10.029 -9.257 1.00 0.00 C ATOM 1077 CD GLU A 75 1.254 11.303 -9.635 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.677 12.039 -8.719 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.400 11.565 -10.847 1.00 0.00 O ATOM 0 H GLU A 75 1.864 8.782 -5.695 1.00 0.00 H new ATOM 0 HA GLU A 75 2.131 7.923 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.054 8.924 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.917 10.420 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.775 9.245 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.551 10.195 -9.331 1.00 0.00 H new ATOM 1086 N ASN A 76 4.064 10.209 -7.227 1.00 0.00 N ATOM 1087 CA ASN A 76 5.197 11.082 -7.507 1.00 0.00 C ATOM 1088 C ASN A 76 6.479 10.272 -7.675 1.00 0.00 C ATOM 1089 O ASN A 76 7.072 10.247 -8.754 1.00 0.00 O ATOM 1090 CB ASN A 76 5.371 12.106 -6.384 1.00 0.00 C ATOM 1091 CG ASN A 76 4.451 13.302 -6.544 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.572 14.066 -7.500 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.527 13.467 -5.605 1.00 0.00 N ATOM 0 H ASN A 76 3.887 10.053 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 76 4.995 11.608 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.175 11.626 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.406 12.447 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.880 14.254 -5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.464 12.807 -4.830 1.00 0.00 H new ATOM 1100 N GLU A 77 6.901 9.612 -6.602 1.00 0.00 N ATOM 1101 CA GLU A 77 8.113 8.802 -6.630 1.00 0.00 C ATOM 1102 C GLU A 77 7.861 7.472 -7.336 1.00 0.00 C ATOM 1103 O GLU A 77 8.325 7.254 -8.457 1.00 0.00 O ATOM 1104 CB GLU A 77 8.617 8.549 -5.208 1.00 0.00 C ATOM 1105 CG GLU A 77 9.596 9.601 -4.714 1.00 0.00 C ATOM 1106 CD GLU A 77 11.036 9.263 -5.051 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.404 9.353 -6.240 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.794 8.908 -4.123 1.00 0.00 O ATOM 0 H GLU A 77 6.421 9.622 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 77 8.874 9.351 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.764 8.512 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.097 7.571 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.340 10.565 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.495 9.707 -3.634 1.00 0.00 H new ATOM 1115 N LEU A 78 7.126 6.587 -6.674 1.00 0.00 N ATOM 1116 CA LEU A 78 6.813 5.278 -7.236 1.00 0.00 C ATOM 1117 C LEU A 78 6.135 5.417 -8.596 1.00 0.00 C ATOM 1118 O LEU A 78 6.183 4.507 -9.421 1.00 0.00 O ATOM 1119 CB LEU A 78 5.910 4.493 -6.283 1.00 0.00 C ATOM 1120 CG LEU A 78 6.281 4.560 -4.800 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.322 3.721 -3.971 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.716 4.100 -4.589 1.00 0.00 C ATOM 0 H LEU A 78 6.735 6.752 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 78 7.749 4.735 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.889 4.857 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.912 3.447 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 78 6.201 5.596 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.602 3.781 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.307 4.096 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.369 2.683 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.963 4.154 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.823 3.072 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.391 4.744 -5.152 1.00 0.00 H new ATOM 1134 N GLY A 79 5.505 6.566 -8.822 1.00 0.00 N ATOM 1135 CA GLY A 79 4.827 6.805 -10.083 1.00 0.00 C ATOM 1136 C GLY A 79 3.628 5.900 -10.278 1.00 0.00 C ATOM 1137 O GLY A 79 3.120 5.762 -11.391 1.00 0.00 O ATOM 0 H GLY A 79 5.452 7.335 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.504 7.845 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.529 6.655 -10.903 1.00 0.00 H new ATOM 1141 N ILE A 80 3.175 5.279 -9.194 1.00 0.00 N ATOM 1142 CA ILE A 80 2.027 4.381 -9.252 1.00 0.00 C ATOM 1143 C ILE A 80 0.721 5.164 -9.338 1.00 0.00 C ATOM 1144 O ILE A 80 0.075 5.429 -8.323 1.00 0.00 O ATOM 1145 CB ILE A 80 1.977 3.453 -8.024 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.229 2.575 -7.969 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.723 2.593 -8.062 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.355 1.627 -9.140 1.00 0.00 C ATOM 0 H ILE A 80 3.585 5.381 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 80 2.144 3.775 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 80 1.947 4.067 -7.124 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.110 3.215 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.218 1.998 -7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.701 1.942 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.158 3.234 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.726 1.985 -8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.265 1.037 -9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.492 0.962 -9.164 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.399 2.198 -10.067 1.00 0.00 H new ATOM 1160 N THR A 81 0.337 5.530 -10.556 1.00 0.00 N ATOM 1161 CA THR A 81 -0.893 6.281 -10.775 1.00 0.00 C ATOM 1162 C THR A 81 -1.992 5.830 -9.819 1.00 0.00 C ATOM 1163 O THR A 81 -2.274 4.640 -9.676 1.00 0.00 O ATOM 1164 CB THR A 81 -1.395 6.128 -12.224 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.354 6.478 -13.142 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.612 7.005 -12.471 1.00 0.00 C ATOM 0 H THR A 81 0.860 5.319 -11.406 1.00 0.00 H new ATOM 0 HA THR A 81 -0.660 7.329 -10.587 1.00 0.00 H new ATOM 0 HB THR A 81 -1.680 5.087 -12.378 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.680 6.377 -14.061 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.948 6.880 -13.500 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.413 6.716 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.349 8.049 -12.300 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.628 6.801 -9.148 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.707 6.527 -8.194 1.00 0.00 C ATOM 1176 C PRO A 82 -4.976 6.035 -8.881 1.00 0.00 C ATOM 1177 O PRO A 82 -5.755 6.827 -9.411 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.950 7.886 -7.533 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.492 8.884 -8.540 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.345 8.241 -9.268 1.00 0.00 C ATOM 0 HA PRO A 82 -3.439 5.738 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.003 8.025 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.392 7.979 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.297 9.141 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.178 9.810 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.303 8.557 -10.310 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.387 8.501 -8.818 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.180 4.721 -8.866 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.356 4.122 -9.487 1.00 0.00 C ATOM 1190 C VAL A 83 -7.601 4.352 -8.637 1.00 0.00 C ATOM 1191 O VAL A 83 -8.718 4.404 -9.153 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.167 2.610 -9.705 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.502 1.841 -8.436 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.020 2.130 -10.869 1.00 0.00 C ATOM 0 H VAL A 83 -4.546 4.051 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.486 4.606 -10.455 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.121 2.424 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.362 0.774 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.845 2.166 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.539 2.031 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.874 1.059 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.070 2.329 -10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.727 2.658 -11.777 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.403 4.487 -7.329 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.508 4.712 -6.406 1.00 0.00 C ATOM 1206 C VAL A 84 -8.327 6.016 -5.639 1.00 0.00 C ATOM 1207 O VAL A 84 -7.203 6.463 -5.410 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.646 3.552 -5.403 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.638 3.909 -4.307 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.064 2.276 -6.116 1.00 0.00 C ATOM 0 H VAL A 84 -6.486 4.444 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.415 4.772 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.675 3.379 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.722 3.077 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.291 4.795 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.613 4.111 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.156 1.468 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.023 2.432 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.312 2.012 -6.860 1.00 0.00 H new ATOM 1220 N SER A 85 -9.442 6.622 -5.242 1.00 0.00 N ATOM 1221 CA SER A 85 -9.407 7.878 -4.502 1.00 0.00 C ATOM 1222 C SER A 85 -9.136 7.629 -3.022 1.00 0.00 C ATOM 1223 O SER A 85 -9.536 6.605 -2.470 1.00 0.00 O ATOM 1224 CB SER A 85 -10.728 8.631 -4.670 1.00 0.00 C ATOM 1225 OG SER A 85 -10.530 10.032 -4.591 1.00 0.00 O ATOM 0 H SER A 85 -10.380 6.263 -5.420 1.00 0.00 H new ATOM 0 HA SER A 85 -8.597 8.486 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.175 8.377 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.431 8.316 -3.899 1.00 0.00 H new ATOM 0 HG SER A 85 -11.389 10.491 -4.703 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.451 8.573 -2.384 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.128 8.459 -0.968 1.00 0.00 C ATOM 1233 C ALA A 86 -9.389 8.288 -0.128 1.00 0.00 C ATOM 1234 O ALA A 86 -9.377 7.600 0.892 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.345 9.678 -0.505 1.00 0.00 C ATOM 0 H ALA A 86 -8.109 9.426 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.510 7.571 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.111 9.579 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.419 9.754 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.943 10.576 -0.662 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.474 8.916 -0.565 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.744 8.834 0.148 1.00 0.00 C ATOM 1243 C GLN A 87 -12.415 7.485 -0.089 1.00 0.00 C ATOM 1244 O GLN A 87 -13.188 7.010 0.743 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.676 9.963 -0.293 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.742 10.309 0.734 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.992 10.890 0.104 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.926 11.570 -0.921 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.141 10.625 0.714 1.00 0.00 N ATOM 0 H GLN A 87 -10.500 9.488 -1.409 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.540 8.937 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.082 10.853 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.162 9.678 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.006 9.412 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.334 11.024 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.149 10.057 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.015 10.989 0.335 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.113 6.871 -1.229 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.685 5.576 -1.574 1.00 0.00 C ATOM 1260 C ALA A 88 -12.054 4.459 -0.749 1.00 0.00 C ATOM 1261 O ALA A 88 -12.749 3.578 -0.243 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.511 5.301 -3.060 1.00 0.00 C ATOM 0 H ALA A 88 -11.475 7.250 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.750 5.604 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.943 4.330 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.016 6.077 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.450 5.298 -3.308 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.731 4.502 -0.619 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.006 3.494 0.144 1.00 0.00 C ATOM 1270 C VAL A 89 -10.460 3.475 1.601 1.00 0.00 C ATOM 1271 O VAL A 89 -10.908 2.448 2.109 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.486 3.739 0.095 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.750 2.703 0.933 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.991 3.722 -1.342 1.00 0.00 C ATOM 0 H VAL A 89 -10.141 5.224 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.227 2.530 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.280 4.724 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.678 2.892 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.085 2.768 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.960 1.706 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.915 3.897 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.208 2.752 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.494 4.505 -1.909 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.339 4.619 2.266 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.738 4.735 3.664 1.00 0.00 C ATOM 1286 C VAL A 90 -12.226 4.452 3.836 1.00 0.00 C ATOM 1287 O VAL A 90 -12.623 3.667 4.698 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.426 6.136 4.223 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.756 6.206 5.706 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.969 6.496 3.975 1.00 0.00 C ATOM 0 H VAL A 90 -9.968 5.478 1.860 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.163 3.994 4.219 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.050 6.863 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.529 7.203 6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.815 5.995 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.161 5.470 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.766 7.489 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.325 5.767 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.770 6.490 2.903 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.045 5.095 3.010 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.489 4.910 3.069 1.00 0.00 C ATOM 1302 C ALA A 91 -14.891 3.548 2.514 1.00 0.00 C ATOM 1303 O ALA A 91 -16.076 3.220 2.443 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.195 6.021 2.307 1.00 0.00 C ATOM 0 H ALA A 91 -12.733 5.749 2.292 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.793 4.951 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.273 5.870 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.941 6.984 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.877 6.006 1.265 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.898 2.758 2.119 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.169 1.440 1.574 1.00 0.00 C ATOM 1312 C GLY A 92 -15.230 1.468 0.492 1.00 0.00 C ATOM 1313 O GLY A 92 -15.803 0.434 0.148 1.00 0.00 O ATOM 0 H GLY A 92 -12.910 3.007 2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.249 1.023 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.491 0.777 2.377 1.00 0.00 H new ATOM 1317 N SER A 93 -15.492 2.655 -0.047 1.00 0.00 N ATOM 1318 CA SER A 93 -16.496 2.813 -1.094 1.00 0.00 C ATOM 1319 C SER A 93 -16.169 1.935 -2.297 1.00 0.00 C ATOM 1320 O SER A 93 -17.063 1.509 -3.030 1.00 0.00 O ATOM 1321 CB SER A 93 -16.584 4.279 -1.527 1.00 0.00 C ATOM 1322 OG SER A 93 -15.654 4.561 -2.557 1.00 0.00 O ATOM 0 H SER A 93 -15.024 3.520 0.223 1.00 0.00 H new ATOM 0 HA SER A 93 -17.459 2.501 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.594 4.499 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.392 4.927 -0.672 1.00 0.00 H new ATOM 0 HG SER A 93 -15.730 5.503 -2.818 1.00 0.00 H new ATOM 1328 N ASP A 94 -14.883 1.665 -2.494 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.438 0.835 -3.607 1.00 0.00 C ATOM 1330 C ASP A 94 -13.422 -0.202 -3.139 1.00 0.00 C ATOM 1331 O ASP A 94 -12.211 0.012 -3.189 1.00 0.00 O ATOM 1332 CB ASP A 94 -13.826 1.705 -4.706 1.00 0.00 C ATOM 1333 CG ASP A 94 -14.671 2.926 -5.015 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.909 2.841 -4.878 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -14.094 3.967 -5.394 1.00 0.00 O ATOM 0 H ASP A 94 -14.131 2.009 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.306 0.312 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.830 2.024 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.706 1.111 -5.612 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.926 -1.355 -2.673 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.080 -2.449 -2.186 1.00 0.00 C ATOM 1342 C PRO A 95 -12.306 -3.127 -3.311 1.00 0.00 C ATOM 1343 O PRO A 95 -11.265 -3.745 -3.079 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.082 -3.422 -1.563 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.365 -3.150 -2.270 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.359 -1.679 -2.585 1.00 0.00 C ATOM 0 HA PRO A 95 -12.319 -2.097 -1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.766 -4.456 -1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.179 -3.257 -0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.443 -3.744 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.219 -3.412 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.877 -1.466 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.855 -1.099 -1.807 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.820 -3.011 -4.531 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.177 -3.614 -5.694 1.00 0.00 C ATOM 1356 C LEU A 96 -11.015 -2.753 -6.180 1.00 0.00 C ATOM 1357 O LEU A 96 -9.933 -3.259 -6.468 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.193 -3.805 -6.820 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.225 -4.914 -6.612 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.419 -4.392 -5.828 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.672 -5.484 -7.950 1.00 0.00 C ATOM 0 H LEU A 96 -13.680 -2.505 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.785 -4.587 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.724 -2.865 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.649 -4.011 -7.742 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.759 -5.714 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.143 -5.195 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.086 -4.032 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.885 -3.574 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.406 -6.272 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.119 -4.693 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.811 -5.896 -8.476 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.250 -1.447 -6.267 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.214 -0.535 -6.718 1.00 0.00 C ATOM 1375 C GLY A 97 -8.938 -0.662 -5.908 1.00 0.00 C ATOM 1376 O GLY A 97 -7.847 -0.775 -6.468 1.00 0.00 O ATOM 0 H GLY A 97 -12.139 -1.004 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.995 -0.729 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.582 0.489 -6.653 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.075 -0.643 -4.587 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.924 -0.754 -3.698 1.00 0.00 C ATOM 1382 C LEU A 98 -7.049 -1.943 -4.086 1.00 0.00 C ATOM 1383 O LEU A 98 -5.838 -1.803 -4.265 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.387 -0.899 -2.248 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.281 -1.056 -1.202 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.253 0.056 -1.342 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.872 -1.066 0.200 1.00 0.00 C ATOM 0 H LEU A 98 -9.971 -0.552 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.332 0.156 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.983 -0.024 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.046 -1.764 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.780 -2.009 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.474 -0.072 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.808 0.017 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.739 1.021 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.072 -1.178 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.399 -0.129 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.570 -1.898 0.295 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.670 -3.110 -4.217 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.950 -4.322 -4.587 1.00 0.00 C ATOM 1401 C ILE A 99 -6.135 -4.109 -5.857 1.00 0.00 C ATOM 1402 O ILE A 99 -4.927 -4.346 -5.879 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.911 -5.506 -4.798 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.636 -5.842 -3.494 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.150 -6.719 -5.316 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.785 -6.808 -3.672 1.00 0.00 C ATOM 0 H ILE A 99 -8.671 -3.242 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.278 -4.555 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.656 -5.223 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.921 -6.267 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.012 -4.921 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.842 -7.548 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.676 -6.473 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.386 -7.006 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.252 -7.000 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.521 -6.377 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.412 -7.744 -4.087 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.803 -3.660 -6.915 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.140 -3.411 -8.189 1.00 0.00 C ATOM 1420 C ALA A 100 -5.063 -2.341 -8.048 1.00 0.00 C ATOM 1421 O ALA A 100 -4.084 -2.329 -8.795 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.157 -3.004 -9.243 1.00 0.00 C ATOM 0 H ALA A 100 -7.803 -3.461 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.657 -4.335 -8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.647 -2.821 -10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.887 -3.803 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.667 -2.095 -8.924 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.251 -1.442 -7.088 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.297 -0.366 -6.853 1.00 0.00 C ATOM 1430 C TYR A 101 -2.979 -0.913 -6.314 1.00 0.00 C ATOM 1431 O TYR A 101 -1.906 -0.612 -6.839 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.879 0.653 -5.871 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.947 1.807 -5.572 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.306 2.490 -6.598 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.708 2.213 -4.265 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.454 3.545 -6.331 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.860 3.266 -3.988 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.234 3.929 -5.025 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.387 4.978 -4.752 1.00 0.00 O ATOM 0 H TYR A 101 -6.055 -1.438 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.102 0.126 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.811 1.046 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.127 0.146 -4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.476 2.191 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.194 1.695 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.964 4.065 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.687 3.570 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.440 5.638 -5.475 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.068 -1.720 -5.262 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.883 -2.312 -4.650 1.00 0.00 C ATOM 1451 C LEU A 102 -1.131 -3.184 -5.652 1.00 0.00 C ATOM 1452 O LEU A 102 0.100 -3.195 -5.677 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.278 -3.144 -3.429 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.941 -2.380 -2.282 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.527 -3.347 -1.265 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.943 -1.443 -1.618 1.00 0.00 C ATOM 0 H LEU A 102 -3.948 -1.979 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.224 -1.503 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.958 -3.931 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.384 -3.634 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.754 -1.780 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.994 -2.785 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.274 -3.976 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.733 -3.974 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.432 -0.908 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.109 -2.022 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.572 -0.727 -2.352 1.00 0.00 H new ATOM 1468 N SER A 103 -1.879 -3.909 -6.476 1.00 0.00 N ATOM 1469 CA SER A 103 -1.283 -4.784 -7.479 1.00 0.00 C ATOM 1470 C SER A 103 -0.188 -4.057 -8.252 1.00 0.00 C ATOM 1471 O SER A 103 0.855 -4.633 -8.565 1.00 0.00 O ATOM 1472 CB SER A 103 -2.354 -5.291 -8.446 1.00 0.00 C ATOM 1473 OG SER A 103 -1.799 -6.173 -9.405 1.00 0.00 O ATOM 0 H SER A 103 -2.899 -3.908 -6.469 1.00 0.00 H new ATOM 0 HA SER A 103 -0.837 -5.635 -6.964 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.139 -5.802 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.821 -4.446 -8.952 1.00 0.00 H new ATOM 0 HG SER A 103 -2.504 -6.484 -10.010 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.431 -2.786 -8.558 1.00 0.00 N ATOM 1480 CA HIS A 104 0.534 -1.978 -9.295 1.00 0.00 C ATOM 1481 C HIS A 104 1.869 -1.921 -8.558 1.00 0.00 C ATOM 1482 O HIS A 104 2.932 -1.905 -9.180 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.007 -0.564 -9.504 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.265 -0.518 -10.316 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.687 0.611 -10.987 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.193 -1.471 -10.566 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.821 0.351 -11.612 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.150 -0.906 -11.373 1.00 0.00 N ATOM 0 H HIS A 104 -1.288 -2.294 -8.307 1.00 0.00 H new ATOM 0 HA HIS A 104 0.695 -2.444 -10.267 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.195 -0.108 -8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.756 0.039 -9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.183 -2.487 -10.199 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.384 1.048 -12.216 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.980 -1.380 -11.730 1.00 0.00 H new ATOM 1497 N PHE A 105 1.806 -1.889 -7.231 1.00 0.00 N ATOM 1498 CA PHE A 105 3.010 -1.830 -6.410 1.00 0.00 C ATOM 1499 C PHE A 105 3.818 -3.119 -6.539 1.00 0.00 C ATOM 1500 O PHE A 105 5.004 -3.091 -6.868 1.00 0.00 O ATOM 1501 CB PHE A 105 2.642 -1.590 -4.945 1.00 0.00 C ATOM 1502 CG PHE A 105 2.255 -0.169 -4.649 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.054 0.345 -5.108 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.094 0.652 -3.913 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.694 1.652 -4.838 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.740 1.959 -3.639 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.540 2.461 -4.103 1.00 0.00 C ATOM 0 H PHE A 105 0.934 -1.903 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 105 3.622 -1.000 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.816 -2.247 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.488 -1.866 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.390 -0.283 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.035 0.266 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.246 2.040 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.402 2.588 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.263 3.483 -3.892 1.00 0.00 H new ATOM 1517 N HIS A 106 3.167 -4.248 -6.275 1.00 0.00 N ATOM 1518 CA HIS A 106 3.824 -5.547 -6.361 1.00 0.00 C ATOM 1519 C HIS A 106 4.298 -5.823 -7.785 1.00 0.00 C ATOM 1520 O HIS A 106 5.491 -6.005 -8.027 1.00 0.00 O ATOM 1521 CB HIS A 106 2.873 -6.654 -5.904 1.00 0.00 C ATOM 1522 CG HIS A 106 3.463 -8.027 -5.998 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.925 -9.025 -6.784 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.553 -8.566 -5.402 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.658 -10.118 -6.666 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.652 -9.866 -5.833 1.00 0.00 N ATOM 0 H HIS A 106 2.186 -4.289 -6.000 1.00 0.00 H new ATOM 0 HA HIS A 106 4.694 -5.531 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.577 -6.464 -4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.966 -6.615 -6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.220 -8.066 -4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.476 -11.058 -7.166 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.375 -10.529 -5.555 1.00 0.00 H new ATOM 1535 N SER A 107 3.356 -5.853 -8.722 1.00 0.00 N ATOM 1536 CA SER A 107 3.677 -6.112 -10.121 1.00 0.00 C ATOM 1537 C SER A 107 4.906 -5.318 -10.552 1.00 0.00 C ATOM 1538 O SER A 107 5.590 -5.682 -11.507 1.00 0.00 O ATOM 1539 CB SER A 107 2.486 -5.756 -11.014 1.00 0.00 C ATOM 1540 OG SER A 107 2.539 -6.465 -12.239 1.00 0.00 O ATOM 0 H SER A 107 2.364 -5.701 -8.538 1.00 0.00 H new ATOM 0 HA SER A 107 3.897 -7.174 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.556 -5.989 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.482 -4.684 -11.210 1.00 0.00 H new ATOM 0 HG SER A 107 1.767 -6.222 -12.791 1.00 0.00 H new ATOM 1546 N ALA A 108 5.179 -4.230 -9.839 1.00 0.00 N ATOM 1547 CA ALA A 108 6.327 -3.384 -10.145 1.00 0.00 C ATOM 1548 C ALA A 108 7.482 -3.659 -9.190 1.00 0.00 C ATOM 1549 O ALA A 108 8.650 -3.491 -9.546 1.00 0.00 O ATOM 1550 CB ALA A 108 5.930 -1.916 -10.088 1.00 0.00 C ATOM 0 H ALA A 108 4.621 -3.914 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 108 6.662 -3.620 -11.155 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.796 -1.296 -10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.142 -1.724 -10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.567 -1.676 -9.089 1.00 0.00 H new ATOM 1556 N PHE A 109 7.152 -4.083 -7.975 1.00 0.00 N ATOM 1557 CA PHE A 109 8.163 -4.381 -6.967 1.00 0.00 C ATOM 1558 C PHE A 109 8.143 -5.861 -6.597 1.00 0.00 C ATOM 1559 O PHE A 109 8.230 -6.220 -5.423 1.00 0.00 O ATOM 1560 CB PHE A 109 7.934 -3.527 -5.717 1.00 0.00 C ATOM 1561 CG PHE A 109 8.332 -2.090 -5.892 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.555 -1.229 -6.648 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.485 -1.600 -5.298 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.918 0.095 -6.810 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.853 -0.277 -5.456 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.069 0.571 -6.214 1.00 0.00 C ATOM 0 H PHE A 109 6.191 -4.228 -7.664 1.00 0.00 H new ATOM 0 HA PHE A 109 9.140 -4.144 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.880 -3.573 -5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.498 -3.953 -4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.654 -1.596 -7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.102 -2.259 -4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.302 0.756 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.753 0.093 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.356 1.605 -6.340 1.00 0.00 H new ATOM 1576 N LYS A 110 8.028 -6.716 -7.608 1.00 0.00 N ATOM 1577 CA LYS A 110 7.998 -8.157 -7.392 1.00 0.00 C ATOM 1578 C LYS A 110 9.252 -8.819 -7.954 1.00 0.00 C ATOM 1579 O LYS A 110 9.186 -9.568 -8.927 1.00 0.00 O ATOM 1580 CB LYS A 110 6.753 -8.764 -8.041 1.00 0.00 C ATOM 1581 CG LYS A 110 6.590 -8.396 -9.506 1.00 0.00 C ATOM 1582 CD LYS A 110 5.366 -9.060 -10.115 1.00 0.00 C ATOM 1583 CE LYS A 110 5.592 -10.547 -10.339 1.00 0.00 C ATOM 1584 NZ LYS A 110 4.318 -11.318 -10.276 1.00 0.00 N ATOM 0 H LYS A 110 7.954 -6.435 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 110 7.965 -8.337 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.799 -9.849 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.870 -8.435 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.504 -7.314 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.480 -8.696 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.508 -8.916 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.125 -8.581 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.062 -10.701 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.284 -10.927 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.515 -12.327 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.882 -11.192 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.667 -10.973 -11.010 1.00 0.00 H new ATOM 1598 N SER A 111 10.394 -8.536 -7.334 1.00 0.00 N ATOM 1599 CA SER A 111 11.663 -9.102 -7.775 1.00 0.00 C ATOM 1600 C SER A 111 12.099 -10.238 -6.856 1.00 0.00 C ATOM 1601 O SER A 111 12.182 -11.393 -7.273 1.00 0.00 O ATOM 1602 CB SER A 111 12.742 -8.018 -7.813 1.00 0.00 C ATOM 1603 OG SER A 111 12.523 -7.118 -8.885 1.00 0.00 O ATOM 0 H SER A 111 10.466 -7.918 -6.525 1.00 0.00 H new ATOM 0 HA SER A 111 11.525 -9.503 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.746 -7.471 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.723 -8.481 -7.917 1.00 0.00 H new ATOM 0 HG SER A 111 13.225 -6.434 -8.886 1.00 0.00 H new ATOM 1609 N GLY A 112 12.379 -9.902 -5.600 1.00 0.00 N ATOM 1610 CA GLY A 112 12.804 -10.904 -4.640 1.00 0.00 C ATOM 1611 C GLY A 112 11.760 -11.982 -4.427 1.00 0.00 C ATOM 1612 O GLY A 112 10.619 -11.870 -4.878 1.00 0.00 O ATOM 0 H GLY A 112 12.319 -8.953 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.731 -11.363 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.022 -10.421 -3.688 1.00 0.00 H new ATOM 1616 N PRO A 113 12.148 -13.056 -3.725 1.00 0.00 N ATOM 1617 CA PRO A 113 11.252 -14.181 -3.437 1.00 0.00 C ATOM 1618 C PRO A 113 10.153 -13.808 -2.446 1.00 0.00 C ATOM 1619 O PRO A 113 10.350 -13.876 -1.233 1.00 0.00 O ATOM 1620 CB PRO A 113 12.185 -15.232 -2.831 1.00 0.00 C ATOM 1621 CG PRO A 113 13.315 -14.450 -2.257 1.00 0.00 C ATOM 1622 CD PRO A 113 13.492 -13.257 -3.156 1.00 0.00 C ATOM 0 HA PRO A 113 10.726 -14.522 -4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.678 -15.816 -2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.534 -15.935 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.096 -14.140 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.225 -15.049 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 113 13.828 -12.382 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 113 14.233 -13.446 -3.933 1.00 0.00 H new ATOM 1630 N SER A 114 8.998 -13.414 -2.971 1.00 0.00 N ATOM 1631 CA SER A 114 7.870 -13.027 -2.133 1.00 0.00 C ATOM 1632 C SER A 114 6.691 -13.975 -2.337 1.00 0.00 C ATOM 1633 O SER A 114 5.543 -13.542 -2.441 1.00 0.00 O ATOM 1634 CB SER A 114 7.443 -11.591 -2.444 1.00 0.00 C ATOM 1635 OG SER A 114 7.132 -11.438 -3.818 1.00 0.00 O ATOM 0 H SER A 114 8.819 -13.354 -3.973 1.00 0.00 H new ATOM 0 HA SER A 114 8.187 -13.086 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.575 -11.327 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.243 -10.903 -2.170 1.00 0.00 H new ATOM 0 HG SER A 114 6.757 -10.546 -3.971 1.00 0.00 H new ATOM 1641 N SER A 115 6.984 -15.270 -2.392 1.00 0.00 N ATOM 1642 CA SER A 115 5.950 -16.280 -2.588 1.00 0.00 C ATOM 1643 C SER A 115 5.880 -17.224 -1.391 1.00 0.00 C ATOM 1644 O SER A 115 6.545 -18.258 -1.363 1.00 0.00 O ATOM 1645 CB SER A 115 6.221 -17.077 -3.866 1.00 0.00 C ATOM 1646 OG SER A 115 6.240 -16.229 -5.001 1.00 0.00 O ATOM 0 H SER A 115 7.928 -15.645 -2.304 1.00 0.00 H new ATOM 0 HA SER A 115 4.991 -15.770 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 115 7.176 -17.595 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.454 -17.841 -3.992 1.00 0.00 H new ATOM 0 HG SER A 115 6.417 -16.762 -5.804 1.00 0.00 H new ATOM 1652 N GLY A 116 5.067 -16.858 -0.404 1.00 0.00 N ATOM 1653 CA GLY A 116 4.924 -17.681 0.781 1.00 0.00 C ATOM 1654 C GLY A 116 5.164 -16.903 2.060 1.00 0.00 C ATOM 1655 O GLY A 116 4.896 -15.704 2.124 1.00 0.00 O ATOM 0 H GLY A 116 4.506 -16.006 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 116 3.922 -18.110 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.626 -18.513 0.728 1.00 0.00 H new TER 1659 GLY A 116