USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 596 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 163 SER OG : rot 180:sc= -0.0332 USER MOD Set 2.1: A 6 THR OG1 : rot -30:sc= 0.102 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.142 K(o=-0.04,f=-2.3!) USER MOD Single : A 8 TYR OH : rot 83:sc= -0.279 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.01! C(o=-3.8!,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -127:sc=-0.00408 (180deg=-0.607) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.55 K(o=-2.6,f=-6.6!) USER MOD Single : A 80 THR OG1 : rot 100:sc= 0.797 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0383 (180deg=-0.597) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 94 TYR OH : rot 111:sc= 0.107 USER MOD Single : A 95 THR OG1 : rot -48:sc= 0.289 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 165:sc=-0.00954 USER MOD Single : A 167 SER OG : rot 170:sc= 0 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -5.744 -18.467 -4.068 1.00 0.00 N ATOM 93 CA THR A 6 -6.154 -18.210 -2.687 1.00 0.00 C ATOM 94 C THR A 6 -6.210 -16.713 -2.409 1.00 0.00 C ATOM 95 O THR A 6 -5.826 -15.901 -3.248 1.00 0.00 O ATOM 96 CB THR A 6 -5.189 -18.886 -1.712 1.00 0.00 C ATOM 97 OG1 THR A 6 -3.862 -18.438 -1.927 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.186 -20.395 -1.822 1.00 0.00 C ATOM 0 HA THR A 6 -7.151 -18.626 -2.546 1.00 0.00 H new ATOM 0 HB THR A 6 -5.543 -18.610 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.744 -18.205 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.480 -20.811 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.185 -20.777 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.891 -20.686 -2.830 1.00 0.00 H new ATOM 106 N TRP A 7 -6.710 -16.357 -1.228 1.00 0.00 N ATOM 107 CA TRP A 7 -6.834 -14.954 -0.842 1.00 0.00 C ATOM 108 C TRP A 7 -6.196 -14.686 0.518 1.00 0.00 C ATOM 109 O TRP A 7 -5.924 -15.612 1.284 1.00 0.00 O ATOM 110 CB TRP A 7 -8.308 -14.543 -0.814 1.00 0.00 C ATOM 111 CG TRP A 7 -9.172 -15.483 -0.030 1.00 0.00 C ATOM 112 CD1 TRP A 7 -9.680 -15.279 1.221 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.629 -16.775 -0.445 1.00 0.00 C ATOM 114 NE1 TRP A 7 -10.425 -16.366 1.610 1.00 0.00 N ATOM 115 CE2 TRP A 7 -10.409 -17.297 0.604 1.00 0.00 C ATOM 116 CE3 TRP A 7 -9.456 -17.541 -1.602 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -11.014 -18.550 0.530 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -10.056 -18.784 -1.674 1.00 0.00 C ATOM 119 CH2 TRP A 7 -10.827 -19.277 -0.614 1.00 0.00 C ATOM 0 H TRP A 7 -7.035 -17.019 -0.523 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.304 -14.359 -1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -8.391 -13.543 -0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.681 -14.485 -1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.520 -14.393 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.911 -16.464 2.502 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.864 -17.168 -2.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.609 -18.933 1.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.928 -19.385 -2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.284 -20.252 -0.701 1.00 0.00 H new ATOM 130 N TYR A 8 -5.965 -13.410 0.810 1.00 0.00 N ATOM 131 CA TYR A 8 -5.363 -13.005 2.076 1.00 0.00 C ATOM 132 C TYR A 8 -5.747 -11.570 2.430 1.00 0.00 C ATOM 133 O TYR A 8 -6.088 -10.773 1.556 1.00 0.00 O ATOM 134 CB TYR A 8 -3.840 -13.136 2.008 1.00 0.00 C ATOM 135 CG TYR A 8 -3.240 -12.596 0.730 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.295 -13.329 -0.449 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.619 -11.353 0.703 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.746 -12.838 -1.619 1.00 0.00 C ATOM 139 CE2 TYR A 8 -2.070 -10.856 -0.464 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.136 -11.602 -1.622 1.00 0.00 C ATOM 141 OH TYR A 8 -1.589 -11.111 -2.785 1.00 0.00 O ATOM 0 H TYR A 8 -6.187 -12.636 0.184 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.743 -13.666 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.401 -12.610 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.570 -14.187 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.774 -14.297 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.565 -10.766 1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.795 -13.421 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.591 -9.888 -0.469 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.293 -10.699 -3.329 1.00 0.00 H new ATOM 151 N THR A 9 -5.685 -11.248 3.720 1.00 0.00 N ATOM 152 CA THR A 9 -6.023 -9.908 4.196 1.00 0.00 C ATOM 153 C THR A 9 -5.209 -9.555 5.436 1.00 0.00 C ATOM 154 O THR A 9 -4.840 -10.436 6.213 1.00 0.00 O ATOM 155 CB THR A 9 -7.517 -9.816 4.507 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.826 -8.577 5.119 1.00 0.00 O ATOM 157 CG2 THR A 9 -8.006 -10.916 5.424 1.00 0.00 C ATOM 0 H THR A 9 -5.404 -11.897 4.455 1.00 0.00 H new ATOM 0 HA THR A 9 -5.781 -9.195 3.408 1.00 0.00 H new ATOM 0 HB THR A 9 -8.019 -9.917 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.787 -8.536 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.074 -10.792 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.827 -11.885 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.470 -10.865 6.372 1.00 0.00 H new ATOM 165 N GLY A 10 -4.929 -8.267 5.623 1.00 0.00 N ATOM 166 CA GLY A 10 -4.155 -7.851 6.778 1.00 0.00 C ATOM 167 C GLY A 10 -4.112 -6.348 6.966 1.00 0.00 C ATOM 168 O GLY A 10 -4.931 -5.613 6.409 1.00 0.00 O ATOM 0 H GLY A 10 -5.221 -7.512 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.577 -8.309 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.137 -8.226 6.677 1.00 0.00 H new ATOM 172 N ALA A 11 -3.140 -5.896 7.755 1.00 0.00 N ATOM 173 CA ALA A 11 -2.966 -4.474 8.027 1.00 0.00 C ATOM 174 C ALA A 11 -1.515 -4.059 7.807 1.00 0.00 C ATOM 175 O ALA A 11 -0.618 -4.902 7.812 1.00 0.00 O ATOM 176 CB ALA A 11 -3.402 -4.150 9.447 1.00 0.00 C ATOM 0 H ALA A 11 -2.459 -6.498 8.218 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.592 -3.911 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.266 -3.085 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.453 -4.410 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.800 -4.723 10.152 1.00 0.00 H new ATOM 182 N LYS A 12 -1.282 -2.766 7.602 1.00 0.00 N ATOM 183 CA LYS A 12 0.074 -2.279 7.370 1.00 0.00 C ATOM 184 C LYS A 12 0.318 -0.928 8.036 1.00 0.00 C ATOM 185 O LYS A 12 -0.594 -0.115 8.182 1.00 0.00 O ATOM 186 CB LYS A 12 0.345 -2.171 5.868 1.00 0.00 C ATOM 187 CG LYS A 12 -0.709 -1.375 5.115 1.00 0.00 C ATOM 188 CD LYS A 12 -0.354 -1.233 3.645 1.00 0.00 C ATOM 189 CE LYS A 12 0.724 -0.184 3.431 1.00 0.00 C ATOM 190 NZ LYS A 12 1.676 -0.576 2.355 1.00 0.00 N ATOM 0 H LYS A 12 -2.004 -2.045 7.592 1.00 0.00 H new ATOM 0 HA LYS A 12 0.759 -2.999 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.318 -1.705 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.402 -3.174 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.676 -1.868 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.809 -0.387 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.011 -2.193 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.245 -0.961 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.258 0.768 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.271 -0.031 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.395 0.166 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.140 -1.471 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.159 -0.697 1.461 1.00 0.00 H new ATOM 204 N LEU A 13 1.571 -0.701 8.420 1.00 0.00 N ATOM 205 CA LEU A 13 1.978 0.547 9.055 1.00 0.00 C ATOM 206 C LEU A 13 3.429 0.851 8.699 1.00 0.00 C ATOM 207 O LEU A 13 4.307 0.008 8.887 1.00 0.00 O ATOM 208 CB LEU A 13 1.816 0.454 10.574 1.00 0.00 C ATOM 209 CG LEU A 13 1.848 1.793 11.313 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.956 1.746 12.543 1.00 0.00 C ATOM 211 CD2 LEU A 13 3.275 2.152 11.700 1.00 0.00 C ATOM 0 H LEU A 13 2.329 -1.373 8.300 1.00 0.00 H new ATOM 0 HA LEU A 13 1.341 1.353 8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.870 -0.042 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.608 -0.181 10.970 1.00 0.00 H new ATOM 0 HG LEU A 13 1.468 2.565 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.992 2.707 13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.070 1.534 12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.305 0.963 13.216 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.280 3.107 12.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.681 1.378 12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.887 2.228 10.802 1.00 0.00 H new ATOM 556 N ALA A 37 -0.536 4.458 8.539 1.00 0.00 N ATOM 557 CA ALA A 37 -0.914 3.051 8.571 1.00 0.00 C ATOM 558 C ALA A 37 -2.237 2.824 7.851 1.00 0.00 C ATOM 559 O ALA A 37 -2.817 3.754 7.290 1.00 0.00 O ATOM 560 CB ALA A 37 -1.001 2.560 10.009 1.00 0.00 C ATOM 0 HA ALA A 37 -0.144 2.481 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.284 1.507 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.032 2.679 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.749 3.142 10.547 1.00 0.00 H new ATOM 566 N GLY A 38 -2.714 1.583 7.872 1.00 0.00 N ATOM 567 CA GLY A 38 -3.969 1.270 7.217 1.00 0.00 C ATOM 568 C GLY A 38 -4.248 -0.218 7.132 1.00 0.00 C ATOM 569 O GLY A 38 -3.681 -1.013 7.884 1.00 0.00 O ATOM 0 H GLY A 38 -2.256 0.794 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.783 1.755 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.960 1.689 6.211 1.00 0.00 H new ATOM 573 N ALA A 39 -5.124 -0.590 6.204 1.00 0.00 N ATOM 574 CA ALA A 39 -5.485 -1.988 6.008 1.00 0.00 C ATOM 575 C ALA A 39 -5.498 -2.337 4.526 1.00 0.00 C ATOM 576 O ALA A 39 -5.675 -1.462 3.679 1.00 0.00 O ATOM 577 CB ALA A 39 -6.841 -2.277 6.634 1.00 0.00 C ATOM 0 H ALA A 39 -5.597 0.059 5.575 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.736 -2.609 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.097 -3.325 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.800 -2.067 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.598 -1.646 6.169 1.00 0.00 H new ATOM 583 N PHE A 40 -5.302 -3.613 4.211 1.00 0.00 N ATOM 584 CA PHE A 40 -5.290 -4.039 2.818 1.00 0.00 C ATOM 585 C PHE A 40 -5.558 -5.531 2.678 1.00 0.00 C ATOM 586 O PHE A 40 -5.450 -6.293 3.639 1.00 0.00 O ATOM 587 CB PHE A 40 -3.946 -3.690 2.172 1.00 0.00 C ATOM 588 CG PHE A 40 -2.790 -4.476 2.723 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.299 -4.215 3.993 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.194 -5.474 1.971 1.00 0.00 C ATOM 591 CE1 PHE A 40 -1.236 -4.937 4.501 1.00 0.00 C ATOM 592 CE2 PHE A 40 -1.130 -6.199 2.474 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.651 -5.930 3.740 1.00 0.00 C ATOM 0 H PHE A 40 -5.152 -4.359 4.890 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.092 -3.507 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.013 -3.863 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.751 -2.627 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.752 -3.439 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.565 -5.689 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.863 -4.725 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.674 -6.975 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.180 -6.495 4.135 1.00 0.00 H new ATOM 603 N GLY A 41 -5.897 -5.933 1.460 1.00 0.00 N ATOM 604 CA GLY A 41 -6.167 -7.327 1.177 1.00 0.00 C ATOM 605 C GLY A 41 -5.609 -7.734 -0.170 1.00 0.00 C ATOM 606 O GLY A 41 -5.362 -6.883 -1.023 1.00 0.00 O ATOM 0 H GLY A 41 -5.990 -5.311 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.730 -7.950 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.243 -7.502 1.195 1.00 0.00 H new ATOM 610 N GLY A 42 -5.399 -9.029 -0.366 1.00 0.00 N ATOM 611 CA GLY A 42 -4.856 -9.489 -1.628 1.00 0.00 C ATOM 612 C GLY A 42 -5.240 -10.910 -1.967 1.00 0.00 C ATOM 613 O GLY A 42 -5.439 -11.742 -1.082 1.00 0.00 O ATOM 0 H GLY A 42 -5.592 -9.761 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.199 -8.829 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.769 -9.412 -1.596 1.00 0.00 H new ATOM 617 N TYR A 43 -5.333 -11.185 -3.262 1.00 0.00 N ATOM 618 CA TYR A 43 -5.680 -12.513 -3.744 1.00 0.00 C ATOM 619 C TYR A 43 -4.531 -13.091 -4.559 1.00 0.00 C ATOM 620 O TYR A 43 -3.992 -12.426 -5.444 1.00 0.00 O ATOM 621 CB TYR A 43 -6.950 -12.458 -4.595 1.00 0.00 C ATOM 622 CG TYR A 43 -8.054 -11.626 -3.982 1.00 0.00 C ATOM 623 CD1 TYR A 43 -8.348 -11.716 -2.627 1.00 0.00 C ATOM 624 CD2 TYR A 43 -8.802 -10.750 -4.758 1.00 0.00 C ATOM 625 CE1 TYR A 43 -9.356 -10.957 -2.063 1.00 0.00 C ATOM 626 CE2 TYR A 43 -9.812 -9.987 -4.201 1.00 0.00 C ATOM 627 CZ TYR A 43 -10.085 -10.095 -2.854 1.00 0.00 C ATOM 628 OH TYR A 43 -11.089 -9.337 -2.296 1.00 0.00 O ATOM 0 H TYR A 43 -5.171 -10.500 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.864 -13.157 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.703 -12.052 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.316 -13.473 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.779 -12.390 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.591 -10.663 -5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.571 -11.039 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.384 -9.310 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.503 -8.782 -2.989 1.00 0.00 H new ATOM 638 N GLN A 44 -4.161 -14.331 -4.266 1.00 0.00 N ATOM 639 CA GLN A 44 -3.082 -14.991 -4.983 1.00 0.00 C ATOM 640 C GLN A 44 -3.643 -15.828 -6.125 1.00 0.00 C ATOM 641 O GLN A 44 -4.523 -16.670 -5.917 1.00 0.00 O ATOM 642 CB GLN A 44 -2.270 -15.875 -4.032 1.00 0.00 C ATOM 643 CG GLN A 44 -0.981 -15.229 -3.553 1.00 0.00 C ATOM 644 CD GLN A 44 -0.464 -15.843 -2.267 1.00 0.00 C ATOM 645 OE1 GLN A 44 -1.181 -16.571 -1.581 1.00 0.00 O ATOM 646 NE2 GLN A 44 0.788 -15.550 -1.932 1.00 0.00 N ATOM 0 H GLN A 44 -4.593 -14.898 -3.537 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.423 -14.227 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.885 -16.124 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.032 -16.812 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.221 -15.325 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.148 -14.163 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.347 -14.942 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.190 -15.933 -1.076 1.00 0.00 H new ATOM 655 N VAL A 45 -3.127 -15.590 -7.327 1.00 0.00 N ATOM 656 CA VAL A 45 -3.569 -16.315 -8.510 1.00 0.00 C ATOM 657 C VAL A 45 -2.688 -17.532 -8.758 1.00 0.00 C ATOM 658 O VAL A 45 -3.164 -18.585 -9.183 1.00 0.00 O ATOM 659 CB VAL A 45 -3.553 -15.418 -9.761 1.00 0.00 C ATOM 660 CG1 VAL A 45 -4.161 -16.145 -10.951 1.00 0.00 C ATOM 661 CG2 VAL A 45 -4.287 -14.112 -9.494 1.00 0.00 C ATOM 0 H VAL A 45 -2.400 -14.898 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.593 -16.638 -8.323 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.516 -15.183 -10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.140 -15.494 -11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.587 -17.048 -11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.192 -16.415 -10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.264 -13.492 -10.390 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.322 -14.325 -9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.801 -13.583 -8.674 1.00 0.00 H new ATOM 671 N ASN A 46 -1.396 -17.374 -8.487 1.00 0.00 N ATOM 672 CA ASN A 46 -0.426 -18.444 -8.670 1.00 0.00 C ATOM 673 C ASN A 46 0.750 -18.259 -7.710 1.00 0.00 C ATOM 674 O ASN A 46 0.778 -17.307 -6.929 1.00 0.00 O ATOM 675 CB ASN A 46 0.064 -18.470 -10.121 1.00 0.00 C ATOM 676 CG ASN A 46 -0.186 -19.807 -10.792 1.00 0.00 C ATOM 677 OD1 ASN A 46 0.809 -20.298 -11.521 1.00 0.00 O flip ATOM 678 ND2 ASN A 46 -1.262 -20.390 -10.658 1.00 0.00 N flip ATOM 0 H ASN A 46 -0.995 -16.504 -8.136 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.906 -19.397 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.438 -17.684 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.131 -18.248 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.999 -19.975 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.416 -21.288 -11.117 1.00 0.00 H new ATOM 685 N PRO A 47 1.732 -19.176 -7.739 1.00 0.00 N ATOM 686 CA PRO A 47 2.901 -19.115 -6.851 1.00 0.00 C ATOM 687 C PRO A 47 3.752 -17.859 -7.041 1.00 0.00 C ATOM 688 O PRO A 47 4.446 -17.434 -6.117 1.00 0.00 O ATOM 689 CB PRO A 47 3.712 -20.361 -7.230 1.00 0.00 C ATOM 690 CG PRO A 47 2.745 -21.260 -7.920 1.00 0.00 C ATOM 691 CD PRO A 47 1.774 -20.356 -8.619 1.00 0.00 C ATOM 0 HA PRO A 47 2.591 -19.081 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.546 -20.104 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.134 -20.840 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.255 -21.911 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.234 -21.906 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.112 -20.099 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.793 -20.819 -8.721 1.00 0.00 H new ATOM 699 N TYR A 48 3.727 -17.278 -8.239 1.00 0.00 N ATOM 700 CA TYR A 48 4.536 -16.090 -8.514 1.00 0.00 C ATOM 701 C TYR A 48 3.708 -14.909 -9.027 1.00 0.00 C ATOM 702 O TYR A 48 4.268 -13.869 -9.372 1.00 0.00 O ATOM 703 CB TYR A 48 5.629 -16.427 -9.530 1.00 0.00 C ATOM 704 CG TYR A 48 5.128 -17.216 -10.719 1.00 0.00 C ATOM 705 CD1 TYR A 48 4.974 -18.595 -10.648 1.00 0.00 C ATOM 706 CD2 TYR A 48 4.810 -16.581 -11.913 1.00 0.00 C ATOM 707 CE1 TYR A 48 4.518 -19.319 -11.734 1.00 0.00 C ATOM 708 CE2 TYR A 48 4.352 -17.298 -13.003 1.00 0.00 C ATOM 709 CZ TYR A 48 4.209 -18.666 -12.907 1.00 0.00 C ATOM 710 OH TYR A 48 3.754 -19.383 -13.990 1.00 0.00 O ATOM 0 H TYR A 48 3.164 -17.604 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 48 4.979 -15.785 -7.566 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.082 -15.501 -9.884 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.414 -16.996 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.214 -19.110 -9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.922 -15.510 -11.991 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.405 -20.391 -11.663 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.108 -16.790 -13.924 1.00 0.00 H new ATOM 0 HH TYR A 48 3.581 -18.773 -14.737 1.00 0.00 H new ATOM 720 N VAL A 49 2.389 -15.054 -9.083 1.00 0.00 N ATOM 721 CA VAL A 49 1.540 -13.967 -9.565 1.00 0.00 C ATOM 722 C VAL A 49 0.288 -13.804 -8.712 1.00 0.00 C ATOM 723 O VAL A 49 -0.556 -14.698 -8.653 1.00 0.00 O ATOM 724 CB VAL A 49 1.124 -14.181 -11.032 1.00 0.00 C ATOM 725 CG1 VAL A 49 2.273 -13.843 -11.970 1.00 0.00 C ATOM 726 CG2 VAL A 49 0.651 -15.609 -11.253 1.00 0.00 C ATOM 0 H VAL A 49 1.889 -15.899 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 49 2.138 -13.059 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 49 0.294 -13.510 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.959 -14.001 -13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.560 -12.800 -11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.125 -14.485 -11.748 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.362 -15.739 -12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.458 -16.301 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.206 -15.812 -10.611 1.00 0.00 H new ATOM 736 N GLY A 50 0.172 -12.652 -8.053 1.00 0.00 N ATOM 737 CA GLY A 50 -0.982 -12.385 -7.215 1.00 0.00 C ATOM 738 C GLY A 50 -1.449 -10.944 -7.314 1.00 0.00 C ATOM 739 O GLY A 50 -0.858 -10.143 -8.038 1.00 0.00 O ATOM 0 H GLY A 50 0.859 -11.899 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.797 -13.049 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.735 -12.614 -6.178 1.00 0.00 H new ATOM 743 N PHE A 51 -2.511 -10.613 -6.587 1.00 0.00 N ATOM 744 CA PHE A 51 -3.054 -9.257 -6.597 1.00 0.00 C ATOM 745 C PHE A 51 -3.257 -8.745 -5.174 1.00 0.00 C ATOM 746 O PHE A 51 -3.466 -9.530 -4.249 1.00 0.00 O ATOM 747 CB PHE A 51 -4.380 -9.223 -7.359 1.00 0.00 C ATOM 748 CG PHE A 51 -4.225 -8.915 -8.821 1.00 0.00 C ATOM 749 CD1 PHE A 51 -3.619 -9.824 -9.673 1.00 0.00 C ATOM 750 CD2 PHE A 51 -4.686 -7.717 -9.342 1.00 0.00 C ATOM 751 CE1 PHE A 51 -3.473 -9.543 -11.018 1.00 0.00 C ATOM 752 CE2 PHE A 51 -4.543 -7.431 -10.687 1.00 0.00 C ATOM 753 CZ PHE A 51 -3.937 -8.344 -11.525 1.00 0.00 C ATOM 0 H PHE A 51 -3.013 -11.264 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.338 -8.607 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.877 -10.187 -7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.031 -8.476 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.257 -10.763 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.162 -6.999 -8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.997 -10.259 -11.672 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.906 -6.493 -11.081 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.825 -8.122 -12.576 1.00 0.00 H new ATOM 763 N GLU A 52 -3.190 -7.427 -5.000 1.00 0.00 N ATOM 764 CA GLU A 52 -3.363 -6.829 -3.680 1.00 0.00 C ATOM 765 C GLU A 52 -3.959 -5.427 -3.774 1.00 0.00 C ATOM 766 O GLU A 52 -3.557 -4.620 -4.613 1.00 0.00 O ATOM 767 CB GLU A 52 -2.021 -6.775 -2.947 1.00 0.00 C ATOM 768 CG GLU A 52 -1.744 -8.001 -2.092 1.00 0.00 C ATOM 769 CD GLU A 52 -0.322 -8.038 -1.570 1.00 0.00 C ATOM 770 OE1 GLU A 52 0.061 -7.111 -0.824 1.00 0.00 O ATOM 771 OE2 GLU A 52 0.410 -8.993 -1.905 1.00 0.00 O ATOM 0 H GLU A 52 -3.019 -6.758 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.059 -7.454 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.221 -6.665 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.998 -5.888 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.437 -8.017 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.935 -8.899 -2.679 1.00 0.00 H new ATOM 778 N MET A 53 -4.918 -5.146 -2.895 1.00 0.00 N ATOM 779 CA MET A 53 -5.576 -3.844 -2.856 1.00 0.00 C ATOM 780 C MET A 53 -5.634 -3.322 -1.423 1.00 0.00 C ATOM 781 O MET A 53 -6.297 -3.912 -0.569 1.00 0.00 O ATOM 782 CB MET A 53 -6.989 -3.943 -3.435 1.00 0.00 C ATOM 783 CG MET A 53 -7.017 -4.304 -4.912 1.00 0.00 C ATOM 784 SD MET A 53 -6.735 -6.060 -5.203 1.00 0.00 S ATOM 785 CE MET A 53 -8.314 -6.743 -4.707 1.00 0.00 C ATOM 0 H MET A 53 -5.258 -5.807 -2.197 1.00 0.00 H new ATOM 0 HA MET A 53 -4.997 -3.147 -3.461 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.550 -4.692 -2.876 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.499 -2.990 -3.293 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.981 -4.020 -5.333 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.257 -3.726 -5.438 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.154 -7.533 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.928 -5.957 -4.267 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.822 -7.155 -5.579 1.00 0.00 H new ATOM 795 N GLY A 54 -4.930 -2.226 -1.157 1.00 0.00 N ATOM 796 CA GLY A 54 -4.916 -1.668 0.184 1.00 0.00 C ATOM 797 C GLY A 54 -5.463 -0.257 0.254 1.00 0.00 C ATOM 798 O GLY A 54 -5.593 0.421 -0.765 1.00 0.00 O ATOM 0 H GLY A 54 -4.372 -1.716 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.501 -2.310 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.893 -1.672 0.561 1.00 0.00 H new ATOM 802 N TYR A 55 -5.784 0.184 1.468 1.00 0.00 N ATOM 803 CA TYR A 55 -6.321 1.522 1.683 1.00 0.00 C ATOM 804 C TYR A 55 -5.978 2.026 3.082 1.00 0.00 C ATOM 805 O TYR A 55 -5.732 1.236 3.994 1.00 0.00 O ATOM 806 CB TYR A 55 -7.837 1.524 1.486 1.00 0.00 C ATOM 807 CG TYR A 55 -8.564 0.526 2.358 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.738 0.760 3.717 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.076 -0.650 1.824 1.00 0.00 C ATOM 810 CE1 TYR A 55 -9.402 -0.150 4.518 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.741 -1.564 2.619 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.901 -1.309 3.965 1.00 0.00 C ATOM 813 OH TYR A 55 -10.562 -2.218 4.760 1.00 0.00 O ATOM 0 H TYR A 55 -5.681 -0.369 2.319 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.866 2.191 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.220 2.523 1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.059 1.309 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.348 1.667 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.952 -0.853 0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.529 0.047 5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.133 -2.473 2.189 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.851 -2.980 4.215 1.00 0.00 H new ATOM 1136 N VAL A 77 -7.844 4.592 -1.915 1.00 0.00 N ATOM 1137 CA VAL A 77 -7.549 3.169 -2.035 1.00 0.00 C ATOM 1138 C VAL A 77 -6.482 2.916 -3.093 1.00 0.00 C ATOM 1139 O VAL A 77 -6.317 3.707 -4.022 1.00 0.00 O ATOM 1140 CB VAL A 77 -8.811 2.362 -2.393 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -9.826 2.423 -1.261 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -9.420 2.872 -3.691 1.00 0.00 C ATOM 0 HA VAL A 77 -7.179 2.840 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.524 1.320 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.710 1.847 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.386 2.006 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.110 3.460 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.311 2.290 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.692 3.922 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.694 2.770 -4.498 1.00 0.00 H new ATOM 1152 N GLN A 78 -5.757 1.812 -2.948 1.00 0.00 N ATOM 1153 CA GLN A 78 -4.706 1.462 -3.895 1.00 0.00 C ATOM 1154 C GLN A 78 -4.827 0.008 -4.337 1.00 0.00 C ATOM 1155 O GLN A 78 -5.103 -0.882 -3.531 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.327 1.709 -3.277 1.00 0.00 C ATOM 1157 CG GLN A 78 -3.054 0.869 -2.039 1.00 0.00 C ATOM 1158 CD GLN A 78 -3.153 1.672 -0.757 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -4.107 2.423 -0.553 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -2.165 1.516 0.116 1.00 0.00 N ATOM 0 H GLN A 78 -5.878 1.146 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.821 2.097 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.561 1.500 -4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.239 2.764 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.764 0.042 -2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.058 0.431 -2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.394 0.883 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.177 2.029 0.997 1.00 0.00 H new ATOM 1169 N LEU A 79 -4.602 -0.219 -5.628 1.00 0.00 N ATOM 1170 CA LEU A 79 -4.667 -1.558 -6.203 1.00 0.00 C ATOM 1171 C LEU A 79 -3.381 -1.856 -6.964 1.00 0.00 C ATOM 1172 O LEU A 79 -2.918 -1.033 -7.752 1.00 0.00 O ATOM 1173 CB LEU A 79 -5.873 -1.683 -7.135 1.00 0.00 C ATOM 1174 CG LEU A 79 -5.983 -3.015 -7.879 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -7.443 -3.388 -8.093 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -5.249 -2.944 -9.210 1.00 0.00 C ATOM 0 H LEU A 79 -4.371 0.513 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.780 -2.282 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.781 -1.535 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.831 -0.877 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.517 -3.789 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.502 -4.338 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.940 -3.480 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.934 -2.613 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.338 -3.900 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.687 -2.158 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.196 -2.723 -9.034 1.00 0.00 H new ATOM 1188 N THR A 80 -2.798 -3.024 -6.722 1.00 0.00 N ATOM 1189 CA THR A 80 -1.556 -3.392 -7.391 1.00 0.00 C ATOM 1190 C THR A 80 -1.418 -4.904 -7.548 1.00 0.00 C ATOM 1191 O THR A 80 -2.209 -5.680 -7.012 1.00 0.00 O ATOM 1192 CB THR A 80 -0.354 -2.849 -6.610 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.025 -3.711 -5.536 1.00 0.00 O ATOM 1194 CG2 THR A 80 -0.580 -1.466 -6.033 1.00 0.00 C ATOM 0 H THR A 80 -3.160 -3.725 -6.076 1.00 0.00 H new ATOM 0 HA THR A 80 -1.582 -2.950 -8.387 1.00 0.00 H new ATOM 0 HB THR A 80 0.456 -2.791 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.733 -4.277 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.312 -1.146 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.787 -0.764 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.428 -1.491 -5.348 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.379 -5.298 -8.277 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.079 -6.704 -8.512 1.00 0.00 C ATOM 1204 C ALA A 81 1.150 -7.112 -7.710 1.00 0.00 C ATOM 1205 O ALA A 81 2.097 -6.335 -7.585 1.00 0.00 O ATOM 1206 CB ALA A 81 0.139 -6.962 -9.995 1.00 0.00 C ATOM 0 H ALA A 81 0.276 -4.654 -8.720 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.927 -7.305 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.362 -8.017 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.762 -6.696 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.974 -6.358 -10.350 1.00 0.00 H new ATOM 1212 N LYS A 82 1.138 -8.321 -7.159 1.00 0.00 N ATOM 1213 CA LYS A 82 2.259 -8.802 -6.362 1.00 0.00 C ATOM 1214 C LYS A 82 3.037 -9.893 -7.094 1.00 0.00 C ATOM 1215 O LYS A 82 2.465 -10.894 -7.529 1.00 0.00 O ATOM 1216 CB LYS A 82 1.762 -9.334 -5.017 1.00 0.00 C ATOM 1217 CG LYS A 82 2.878 -9.629 -4.030 1.00 0.00 C ATOM 1218 CD LYS A 82 2.507 -10.769 -3.094 1.00 0.00 C ATOM 1219 CE LYS A 82 2.834 -12.122 -3.707 1.00 0.00 C ATOM 1220 NZ LYS A 82 4.290 -12.424 -3.642 1.00 0.00 N ATOM 0 H LYS A 82 0.367 -8.983 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 82 2.931 -7.961 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.082 -8.605 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.187 -10.245 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.788 -9.884 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.096 -8.734 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.043 -10.656 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.443 -10.720 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.278 -12.901 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.506 -12.138 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.439 -13.444 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.787 -11.898 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.662 -12.141 -2.713 1.00 0.00 H new ATOM 1234 N LEU A 83 4.345 -9.692 -7.216 1.00 0.00 N ATOM 1235 CA LEU A 83 5.216 -10.654 -7.882 1.00 0.00 C ATOM 1236 C LEU A 83 6.444 -10.939 -7.021 1.00 0.00 C ATOM 1237 O LEU A 83 7.303 -10.076 -6.845 1.00 0.00 O ATOM 1238 CB LEU A 83 5.648 -10.124 -9.251 1.00 0.00 C ATOM 1239 CG LEU A 83 4.707 -10.474 -10.405 1.00 0.00 C ATOM 1240 CD1 LEU A 83 4.708 -9.367 -11.449 1.00 0.00 C ATOM 1241 CD2 LEU A 83 5.106 -11.801 -11.032 1.00 0.00 C ATOM 0 H LEU A 83 4.827 -8.867 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 83 4.662 -11.582 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.739 -9.039 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.640 -10.515 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 83 3.696 -10.571 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.033 -9.633 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.375 -8.435 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.717 -9.238 -11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.426 -12.035 -11.851 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.124 -11.731 -11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.053 -12.589 -10.281 1.00 0.00 H new ATOM 1253 N GLY A 84 6.510 -12.149 -6.474 1.00 0.00 N ATOM 1254 CA GLY A 84 7.633 -12.504 -5.625 1.00 0.00 C ATOM 1255 C GLY A 84 8.194 -13.883 -5.900 1.00 0.00 C ATOM 1256 O GLY A 84 7.678 -14.622 -6.739 1.00 0.00 O ATOM 0 H GLY A 84 5.814 -12.883 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.425 -11.767 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.320 -12.451 -4.582 1.00 0.00 H new ATOM 1260 N TYR A 85 9.256 -14.227 -5.179 1.00 0.00 N ATOM 1261 CA TYR A 85 9.903 -15.524 -5.327 1.00 0.00 C ATOM 1262 C TYR A 85 10.133 -16.166 -3.959 1.00 0.00 C ATOM 1263 O TYR A 85 10.480 -15.482 -2.994 1.00 0.00 O ATOM 1264 CB TYR A 85 11.235 -15.375 -6.065 1.00 0.00 C ATOM 1265 CG TYR A 85 11.154 -14.490 -7.289 1.00 0.00 C ATOM 1266 CD1 TYR A 85 10.993 -13.115 -7.166 1.00 0.00 C ATOM 1267 CD2 TYR A 85 11.239 -15.029 -8.566 1.00 0.00 C ATOM 1268 CE1 TYR A 85 10.920 -12.304 -8.283 1.00 0.00 C ATOM 1269 CE2 TYR A 85 11.167 -14.224 -9.687 1.00 0.00 C ATOM 1270 CZ TYR A 85 11.007 -12.863 -9.540 1.00 0.00 C ATOM 1271 OH TYR A 85 10.934 -12.058 -10.654 1.00 0.00 O ATOM 0 H TYR A 85 9.689 -13.621 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 85 9.247 -16.169 -5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.977 -14.965 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.588 -16.362 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.924 -12.673 -6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.363 -16.095 -8.685 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.795 -11.237 -8.171 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.236 -14.659 -10.673 1.00 0.00 H new ATOM 0 HH TYR A 85 11.013 -12.608 -11.461 1.00 0.00 H new ATOM 1281 N PRO A 86 9.934 -17.491 -3.854 1.00 0.00 N ATOM 1282 CA PRO A 86 10.111 -18.221 -2.603 1.00 0.00 C ATOM 1283 C PRO A 86 11.545 -18.694 -2.392 1.00 0.00 C ATOM 1284 O PRO A 86 11.997 -19.641 -3.036 1.00 0.00 O ATOM 1285 CB PRO A 86 9.178 -19.412 -2.787 1.00 0.00 C ATOM 1286 CG PRO A 86 9.223 -19.700 -4.252 1.00 0.00 C ATOM 1287 CD PRO A 86 9.504 -18.386 -4.946 1.00 0.00 C ATOM 0 HA PRO A 86 9.896 -17.606 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.511 -20.270 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.165 -19.177 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.999 -20.431 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.278 -20.123 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.280 -18.493 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.617 -18.003 -5.450 1.00 0.00 H new ATOM 1295 N ILE A 87 12.252 -18.041 -1.476 1.00 0.00 N ATOM 1296 CA ILE A 87 13.630 -18.410 -1.171 1.00 0.00 C ATOM 1297 C ILE A 87 13.658 -19.614 -0.236 1.00 0.00 C ATOM 1298 O ILE A 87 14.542 -20.467 -0.323 1.00 0.00 O ATOM 1299 CB ILE A 87 14.405 -17.244 -0.525 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.640 -16.700 0.683 1.00 0.00 C ATOM 1301 CG2 ILE A 87 14.652 -16.143 -1.544 1.00 0.00 C ATOM 1302 CD1 ILE A 87 14.452 -15.742 1.528 1.00 0.00 C ATOM 0 H ILE A 87 11.895 -17.255 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 87 14.115 -18.661 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 87 15.370 -17.616 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.740 -16.193 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.315 -17.535 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 87 15.200 -15.327 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 87 15.236 -16.540 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 87 13.697 -15.771 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 87 13.848 -15.395 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 87 15.339 -16.251 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 87 14.754 -14.888 0.921 1.00 0.00 H new ATOM 1314 N THR A 88 12.666 -19.681 0.646 1.00 0.00 N ATOM 1315 CA THR A 88 12.543 -20.784 1.591 1.00 0.00 C ATOM 1316 C THR A 88 11.075 -21.016 1.936 1.00 0.00 C ATOM 1317 O THR A 88 10.214 -20.214 1.573 1.00 0.00 O ATOM 1318 CB THR A 88 13.360 -20.515 2.862 1.00 0.00 C ATOM 1319 OG1 THR A 88 12.831 -21.235 3.964 1.00 0.00 O ATOM 1320 CG2 THR A 88 13.413 -19.056 3.254 1.00 0.00 C ATOM 0 H THR A 88 11.931 -18.978 0.726 1.00 0.00 H new ATOM 0 HA THR A 88 12.942 -21.684 1.123 1.00 0.00 H new ATOM 0 HB THR A 88 14.371 -20.843 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.367 -21.051 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.007 -18.944 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.868 -18.479 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.402 -18.691 3.436 1.00 0.00 H new ATOM 1328 N ASP A 89 10.784 -22.117 2.618 1.00 0.00 N ATOM 1329 CA ASP A 89 9.411 -22.445 2.984 1.00 0.00 C ATOM 1330 C ASP A 89 8.812 -21.419 3.944 1.00 0.00 C ATOM 1331 O ASP A 89 7.592 -21.296 4.042 1.00 0.00 O ATOM 1332 CB ASP A 89 9.353 -23.838 3.614 1.00 0.00 C ATOM 1333 CG ASP A 89 8.090 -24.590 3.241 1.00 0.00 C ATOM 1334 OD1 ASP A 89 7.756 -24.630 2.038 1.00 0.00 O ATOM 1335 OD2 ASP A 89 7.436 -25.138 4.152 1.00 0.00 O ATOM 0 H ASP A 89 11.478 -22.797 2.928 1.00 0.00 H new ATOM 0 HA ASP A 89 8.818 -22.429 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.222 -24.414 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.411 -23.746 4.699 1.00 0.00 H new ATOM 1340 N ASP A 90 9.664 -20.701 4.672 1.00 0.00 N ATOM 1341 CA ASP A 90 9.183 -19.716 5.637 1.00 0.00 C ATOM 1342 C ASP A 90 9.487 -18.282 5.206 1.00 0.00 C ATOM 1343 O ASP A 90 8.769 -17.355 5.579 1.00 0.00 O ATOM 1344 CB ASP A 90 9.802 -19.982 7.010 1.00 0.00 C ATOM 1345 CG ASP A 90 9.694 -21.439 7.419 1.00 0.00 C ATOM 1346 OD1 ASP A 90 10.168 -22.306 6.657 1.00 0.00 O ATOM 1347 OD2 ASP A 90 9.137 -21.710 8.504 1.00 0.00 O ATOM 0 H ASP A 90 10.679 -20.781 4.614 1.00 0.00 H new ATOM 0 HA ASP A 90 8.099 -19.821 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.852 -19.688 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.307 -19.360 7.756 1.00 0.00 H new ATOM 1352 N LEU A 91 10.555 -18.095 4.437 1.00 0.00 N ATOM 1353 CA LEU A 91 10.934 -16.755 3.993 1.00 0.00 C ATOM 1354 C LEU A 91 10.689 -16.559 2.499 1.00 0.00 C ATOM 1355 O LEU A 91 11.156 -17.339 1.670 1.00 0.00 O ATOM 1356 CB LEU A 91 12.403 -16.483 4.320 1.00 0.00 C ATOM 1357 CG LEU A 91 12.694 -15.090 4.880 1.00 0.00 C ATOM 1358 CD1 LEU A 91 14.023 -15.079 5.621 1.00 0.00 C ATOM 1359 CD2 LEU A 91 12.698 -14.057 3.764 1.00 0.00 C ATOM 0 H LEU A 91 11.167 -18.843 4.111 1.00 0.00 H new ATOM 0 HA LEU A 91 10.305 -16.045 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.743 -17.226 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.993 -16.625 3.415 1.00 0.00 H new ATOM 0 HG LEU A 91 11.905 -14.832 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.213 -14.080 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.986 -15.791 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.824 -15.359 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.907 -13.072 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.466 -14.313 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.724 -14.045 3.276 1.00 0.00 H new ATOM 1371 N ASP A 92 9.949 -15.506 2.168 1.00 0.00 N ATOM 1372 CA ASP A 92 9.635 -15.197 0.777 1.00 0.00 C ATOM 1373 C ASP A 92 9.912 -13.729 0.467 1.00 0.00 C ATOM 1374 O ASP A 92 9.836 -12.870 1.345 1.00 0.00 O ATOM 1375 CB ASP A 92 8.172 -15.526 0.478 1.00 0.00 C ATOM 1376 CG ASP A 92 7.977 -16.973 0.069 1.00 0.00 C ATOM 1377 OD1 ASP A 92 8.707 -17.842 0.591 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.094 -17.239 -0.773 1.00 0.00 O ATOM 0 H ASP A 92 9.555 -14.852 2.844 1.00 0.00 H new ATOM 0 HA ASP A 92 10.276 -15.809 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.568 -15.316 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.811 -14.874 -0.318 1.00 0.00 H new ATOM 1383 N ILE A 93 10.216 -13.449 -0.798 1.00 0.00 N ATOM 1384 CA ILE A 93 10.487 -12.085 -1.240 1.00 0.00 C ATOM 1385 C ILE A 93 9.538 -11.708 -2.373 1.00 0.00 C ATOM 1386 O ILE A 93 9.212 -12.544 -3.215 1.00 0.00 O ATOM 1387 CB ILE A 93 11.944 -11.923 -1.718 1.00 0.00 C ATOM 1388 CG1 ILE A 93 12.222 -10.469 -2.105 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.228 -12.853 -2.888 1.00 0.00 C ATOM 1390 CD1 ILE A 93 13.644 -10.227 -2.566 1.00 0.00 C ATOM 0 H ILE A 93 10.281 -14.150 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 93 10.331 -11.423 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 93 12.609 -12.193 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.536 -10.176 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.012 -9.827 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.261 -12.725 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.070 -13.886 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.557 -12.615 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.769 -9.175 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.336 -10.489 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.852 -10.842 -3.441 1.00 0.00 H new ATOM 1402 N TYR A 94 9.077 -10.461 -2.388 1.00 0.00 N ATOM 1403 CA TYR A 94 8.149 -10.030 -3.426 1.00 0.00 C ATOM 1404 C TYR A 94 8.221 -8.533 -3.706 1.00 0.00 C ATOM 1405 O TYR A 94 8.848 -7.767 -2.974 1.00 0.00 O ATOM 1406 CB TYR A 94 6.719 -10.416 -3.042 1.00 0.00 C ATOM 1407 CG TYR A 94 6.180 -9.647 -1.856 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.562 -9.972 -0.561 1.00 0.00 C ATOM 1409 CD2 TYR A 94 5.289 -8.595 -2.033 1.00 0.00 C ATOM 1410 CE1 TYR A 94 6.071 -9.272 0.526 1.00 0.00 C ATOM 1411 CE2 TYR A 94 4.795 -7.890 -0.953 1.00 0.00 C ATOM 1412 CZ TYR A 94 5.189 -8.232 0.323 1.00 0.00 C ATOM 1413 OH TYR A 94 4.698 -7.532 1.402 1.00 0.00 O ATOM 0 H TYR A 94 9.325 -9.744 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 94 8.444 -10.540 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.065 -10.251 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.688 -11.482 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.254 -10.785 -0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.978 -8.324 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.376 -9.538 1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.104 -7.075 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 94 5.071 -6.626 1.401 1.00 0.00 H new ATOM 1423 N THR A 95 7.541 -8.143 -4.781 1.00 0.00 N ATOM 1424 CA THR A 95 7.468 -6.753 -5.209 1.00 0.00 C ATOM 1425 C THR A 95 6.053 -6.436 -5.680 1.00 0.00 C ATOM 1426 O THR A 95 5.407 -7.273 -6.310 1.00 0.00 O ATOM 1427 CB THR A 95 8.470 -6.483 -6.332 1.00 0.00 C ATOM 1428 OG1 THR A 95 8.096 -7.169 -7.513 1.00 0.00 O ATOM 1429 CG2 THR A 95 9.883 -6.901 -5.985 1.00 0.00 C ATOM 0 H THR A 95 7.024 -8.786 -5.380 1.00 0.00 H new ATOM 0 HA THR A 95 7.719 -6.111 -4.365 1.00 0.00 H new ATOM 0 HB THR A 95 8.454 -5.403 -6.481 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.878 -8.099 -7.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.544 -6.682 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.219 -6.352 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.905 -7.970 -5.775 1.00 0.00 H new ATOM 1437 N ARG A 96 5.565 -5.238 -5.379 1.00 0.00 N ATOM 1438 CA ARG A 96 4.220 -4.846 -5.785 1.00 0.00 C ATOM 1439 C ARG A 96 4.260 -3.657 -6.738 1.00 0.00 C ATOM 1440 O ARG A 96 5.016 -2.707 -6.532 1.00 0.00 O ATOM 1441 CB ARG A 96 3.374 -4.504 -4.557 1.00 0.00 C ATOM 1442 CG ARG A 96 2.626 -5.695 -3.982 1.00 0.00 C ATOM 1443 CD ARG A 96 1.895 -5.327 -2.701 1.00 0.00 C ATOM 1444 NE ARG A 96 0.686 -4.550 -2.964 1.00 0.00 N ATOM 1445 CZ ARG A 96 0.063 -3.815 -2.046 1.00 0.00 C ATOM 1446 NH1 ARG A 96 0.532 -3.750 -0.806 1.00 0.00 N ATOM 1447 NH2 ARG A 96 -1.032 -3.139 -2.369 1.00 0.00 N ATOM 0 H ARG A 96 6.076 -4.525 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 96 3.767 -5.688 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.021 -4.085 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.655 -3.730 -4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.911 -6.066 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.328 -6.505 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.631 -6.236 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.561 -4.754 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 96 0.297 -4.572 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.375 -4.265 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.050 -3.185 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.396 -3.183 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.510 -2.576 -1.666 1.00 0.00 H new ATOM 1461 N LEU A 97 3.440 -3.719 -7.783 1.00 0.00 N ATOM 1462 CA LEU A 97 3.378 -2.650 -8.774 1.00 0.00 C ATOM 1463 C LEU A 97 1.937 -2.389 -9.202 1.00 0.00 C ATOM 1464 O LEU A 97 1.262 -3.277 -9.723 1.00 0.00 O ATOM 1465 CB LEU A 97 4.228 -3.007 -9.994 1.00 0.00 C ATOM 1466 CG LEU A 97 3.988 -4.406 -10.564 1.00 0.00 C ATOM 1467 CD1 LEU A 97 4.494 -4.493 -11.995 1.00 0.00 C ATOM 1468 CD2 LEU A 97 4.661 -5.457 -9.694 1.00 0.00 C ATOM 0 H LEU A 97 2.809 -4.499 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 97 3.773 -1.742 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.037 -2.274 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.280 -2.917 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 97 2.915 -4.598 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.315 -5.495 -12.384 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.967 -3.765 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.563 -4.281 -12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.480 -6.447 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.734 -5.268 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.252 -5.411 -8.685 1.00 0.00 H new ATOM 1480 N GLY A 98 1.475 -1.164 -8.979 1.00 0.00 N ATOM 1481 CA GLY A 98 0.118 -0.801 -9.346 1.00 0.00 C ATOM 1482 C GLY A 98 -0.112 0.695 -9.293 1.00 0.00 C ATOM 1483 O GLY A 98 0.756 1.481 -9.674 1.00 0.00 O ATOM 0 H GLY A 98 2.017 -0.414 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.093 -1.163 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.583 -1.298 -8.675 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.292 1.089 -8.821 1.00 0.00 N ATOM 1488 CA GLY A 99 -1.618 2.499 -8.733 1.00 0.00 C ATOM 1489 C GLY A 99 -2.593 2.820 -7.616 1.00 0.00 C ATOM 1490 O GLY A 99 -3.411 1.983 -7.228 1.00 0.00 O ATOM 0 H GLY A 99 -2.025 0.457 -8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.701 3.068 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.042 2.827 -9.682 1.00 0.00 H new ATOM 1494 N MET A 100 -2.499 4.041 -7.101 1.00 0.00 N ATOM 1495 CA MET A 100 -3.370 4.490 -6.021 1.00 0.00 C ATOM 1496 C MET A 100 -4.482 5.387 -6.555 1.00 0.00 C ATOM 1497 O MET A 100 -4.231 6.308 -7.333 1.00 0.00 O ATOM 1498 CB MET A 100 -2.558 5.239 -4.962 1.00 0.00 C ATOM 1499 CG MET A 100 -1.920 6.519 -5.478 1.00 0.00 C ATOM 1500 SD MET A 100 -2.925 7.979 -5.147 1.00 0.00 S ATOM 1501 CE MET A 100 -2.229 8.524 -3.589 1.00 0.00 C ATOM 0 H MET A 100 -1.826 4.740 -7.415 1.00 0.00 H new ATOM 0 HA MET A 100 -3.826 3.611 -5.566 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.208 5.480 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.777 4.581 -4.582 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.941 6.644 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 100 -1.756 6.431 -6.552 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.748 9.422 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.345 7.737 -2.844 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.170 8.745 -3.721 1.00 0.00 H new ATOM 1842 N PHE A 123 5.477 1.502 -7.147 1.00 0.00 N ATOM 1843 CA PHE A 123 6.233 0.261 -7.008 1.00 0.00 C ATOM 1844 C PHE A 123 6.496 -0.052 -5.538 1.00 0.00 C ATOM 1845 O PHE A 123 6.450 0.835 -4.686 1.00 0.00 O ATOM 1846 CB PHE A 123 7.557 0.359 -7.768 1.00 0.00 C ATOM 1847 CG PHE A 123 7.912 -0.895 -8.517 1.00 0.00 C ATOM 1848 CD1 PHE A 123 8.536 -1.950 -7.870 1.00 0.00 C ATOM 1849 CD2 PHE A 123 7.623 -1.017 -9.866 1.00 0.00 C ATOM 1850 CE1 PHE A 123 8.863 -3.104 -8.556 1.00 0.00 C ATOM 1851 CE2 PHE A 123 7.949 -2.167 -10.557 1.00 0.00 C ATOM 1852 CZ PHE A 123 8.570 -3.213 -9.902 1.00 0.00 C ATOM 0 HA PHE A 123 5.639 -0.549 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.503 1.190 -8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 123 8.355 0.590 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.769 -1.869 -6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.137 -0.203 -10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.347 -3.920 -8.041 1.00 0.00 H new ATOM 0 HE2 PHE A 123 7.719 -2.249 -11.609 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.826 -4.114 -10.441 1.00 0.00 H new ATOM 1862 N ALA A 124 6.773 -1.319 -5.248 1.00 0.00 N ATOM 1863 CA ALA A 124 7.043 -1.748 -3.881 1.00 0.00 C ATOM 1864 C ALA A 124 7.960 -2.965 -3.856 1.00 0.00 C ATOM 1865 O ALA A 124 7.941 -3.789 -4.771 1.00 0.00 O ATOM 1866 CB ALA A 124 5.740 -2.050 -3.157 1.00 0.00 C ATOM 0 H ALA A 124 6.816 -2.066 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 124 7.553 -0.934 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.956 -2.369 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 124 5.121 -1.153 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.208 -2.844 -3.681 1.00 0.00 H new ATOM 1872 N GLY A 125 8.761 -3.075 -2.800 1.00 0.00 N ATOM 1873 CA GLY A 125 9.672 -4.197 -2.668 1.00 0.00 C ATOM 1874 C GLY A 125 9.871 -4.602 -1.221 1.00 0.00 C ATOM 1875 O GLY A 125 9.997 -3.746 -0.348 1.00 0.00 O ATOM 0 H GLY A 125 8.795 -2.405 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.285 -5.046 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.635 -3.935 -3.107 1.00 0.00 H new ATOM 1879 N GLY A 126 9.902 -5.905 -0.961 1.00 0.00 N ATOM 1880 CA GLY A 126 10.090 -6.369 0.402 1.00 0.00 C ATOM 1881 C GLY A 126 10.086 -7.879 0.526 1.00 0.00 C ATOM 1882 O GLY A 126 10.331 -8.593 -0.447 1.00 0.00 O ATOM 0 H GLY A 126 9.802 -6.641 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.035 -5.982 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.301 -5.957 1.031 1.00 0.00 H new ATOM 1886 N VAL A 127 9.809 -8.362 1.732 1.00 0.00 N ATOM 1887 CA VAL A 127 9.775 -9.793 1.994 1.00 0.00 C ATOM 1888 C VAL A 127 8.653 -10.157 2.959 1.00 0.00 C ATOM 1889 O VAL A 127 8.276 -9.366 3.825 1.00 0.00 O ATOM 1890 CB VAL A 127 11.113 -10.291 2.572 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.214 -10.201 1.527 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.483 -9.499 3.817 1.00 0.00 C ATOM 0 H VAL A 127 9.604 -7.780 2.545 1.00 0.00 H new ATOM 0 HA VAL A 127 9.595 -10.280 1.036 1.00 0.00 H new ATOM 0 HB VAL A 127 10.999 -11.337 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.151 -10.557 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 127 11.950 -10.816 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.331 -9.165 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.431 -9.864 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.579 -8.444 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.705 -9.621 4.570 1.00 0.00 H new ATOM 1902 N GLU A 128 8.128 -11.367 2.800 1.00 0.00 N ATOM 1903 CA GLU A 128 7.051 -11.860 3.650 1.00 0.00 C ATOM 1904 C GLU A 128 7.439 -13.191 4.286 1.00 0.00 C ATOM 1905 O GLU A 128 7.917 -14.101 3.607 1.00 0.00 O ATOM 1906 CB GLU A 128 5.765 -12.023 2.838 1.00 0.00 C ATOM 1907 CG GLU A 128 4.607 -12.600 3.635 1.00 0.00 C ATOM 1908 CD GLU A 128 4.569 -14.116 3.593 1.00 0.00 C ATOM 1909 OE1 GLU A 128 4.306 -14.673 2.507 1.00 0.00 O ATOM 1910 OE2 GLU A 128 4.804 -14.745 4.646 1.00 0.00 O ATOM 0 H GLU A 128 8.433 -12.028 2.086 1.00 0.00 H new ATOM 0 HA GLU A 128 6.878 -11.131 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.472 -11.052 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.965 -12.670 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.684 -12.271 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.669 -12.206 3.244 1.00 0.00 H new ATOM 1917 N TYR A 129 7.242 -13.292 5.597 1.00 0.00 N ATOM 1918 CA TYR A 129 7.584 -14.507 6.329 1.00 0.00 C ATOM 1919 C TYR A 129 6.399 -15.016 7.143 1.00 0.00 C ATOM 1920 O TYR A 129 5.590 -14.232 7.642 1.00 0.00 O ATOM 1921 CB TYR A 129 8.777 -14.247 7.252 1.00 0.00 C ATOM 1922 CG TYR A 129 9.210 -15.460 8.045 1.00 0.00 C ATOM 1923 CD1 TYR A 129 8.575 -15.800 9.232 1.00 0.00 C ATOM 1924 CD2 TYR A 129 10.256 -16.263 7.607 1.00 0.00 C ATOM 1925 CE1 TYR A 129 8.969 -16.906 9.961 1.00 0.00 C ATOM 1926 CE2 TYR A 129 10.655 -17.371 8.330 1.00 0.00 C ATOM 1927 CZ TYR A 129 10.009 -17.688 9.506 1.00 0.00 C ATOM 1928 OH TYR A 129 10.403 -18.791 10.228 1.00 0.00 O ATOM 0 H TYR A 129 6.848 -12.548 6.173 1.00 0.00 H new ATOM 0 HA TYR A 129 7.850 -15.274 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.618 -13.896 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.521 -13.444 7.944 1.00 0.00 H new ATOM 0 HD1 TYR A 129 7.760 -15.190 9.592 1.00 0.00 H new ATOM 0 HD2 TYR A 129 10.765 -16.017 6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 129 8.465 -17.156 10.883 1.00 0.00 H new ATOM 0 HE2 TYR A 129 11.469 -17.986 7.975 1.00 0.00 H new ATOM 0 HH TYR A 129 11.148 -19.233 9.769 1.00 0.00 H new ATOM 1938 N ALA A 130 6.307 -16.335 7.279 1.00 0.00 N ATOM 1939 CA ALA A 130 5.230 -16.956 8.038 1.00 0.00 C ATOM 1940 C ALA A 130 5.697 -17.319 9.443 1.00 0.00 C ATOM 1941 O ALA A 130 6.562 -18.177 9.616 1.00 0.00 O ATOM 1942 CB ALA A 130 4.716 -18.190 7.313 1.00 0.00 C ATOM 0 H ALA A 130 6.969 -16.996 6.871 1.00 0.00 H new ATOM 0 HA ALA A 130 4.415 -16.238 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.912 -18.643 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.340 -17.904 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.528 -18.908 7.196 1.00 0.00 H new ATOM 1948 N ILE A 131 5.117 -16.665 10.444 1.00 0.00 N ATOM 1949 CA ILE A 131 5.475 -16.926 11.833 1.00 0.00 C ATOM 1950 C ILE A 131 4.651 -18.076 12.401 1.00 0.00 C ATOM 1951 O ILE A 131 5.158 -18.909 13.151 1.00 0.00 O ATOM 1952 CB ILE A 131 5.269 -15.679 12.713 1.00 0.00 C ATOM 1953 CG1 ILE A 131 5.911 -14.454 12.058 1.00 0.00 C ATOM 1954 CG2 ILE A 131 5.845 -15.908 14.102 1.00 0.00 C ATOM 1955 CD1 ILE A 131 5.550 -13.149 12.732 1.00 0.00 C ATOM 0 H ILE A 131 4.398 -15.952 10.320 1.00 0.00 H new ATOM 0 HA ILE A 131 6.531 -17.195 11.843 1.00 0.00 H new ATOM 0 HB ILE A 131 4.199 -15.496 12.812 1.00 0.00 H new ATOM 0 HG12 ILE A 131 6.995 -14.572 12.070 1.00 0.00 H new ATOM 0 HG13 ILE A 131 5.606 -14.410 11.012 1.00 0.00 H new ATOM 0 HG21 ILE A 131 5.691 -15.017 14.711 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.345 -16.757 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.912 -16.114 14.024 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.040 -12.324 12.215 1.00 0.00 H new ATOM 0 HD12 ILE A 131 4.470 -13.008 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 131 5.879 -13.173 13.771 1.00 0.00 H new ATOM 1967 N THR A 132 3.375 -18.113 12.032 1.00 0.00 N ATOM 1968 CA THR A 132 2.472 -19.158 12.499 1.00 0.00 C ATOM 1969 C THR A 132 1.260 -19.277 11.577 1.00 0.00 C ATOM 1970 O THR A 132 1.047 -18.432 10.707 1.00 0.00 O ATOM 1971 CB THR A 132 2.013 -18.869 13.932 1.00 0.00 C ATOM 1972 OG1 THR A 132 2.677 -17.732 14.456 1.00 0.00 O ATOM 1973 CG2 THR A 132 2.260 -20.022 14.882 1.00 0.00 C ATOM 0 H THR A 132 2.943 -17.430 11.410 1.00 0.00 H new ATOM 0 HA THR A 132 3.013 -20.104 12.486 1.00 0.00 H new ATOM 0 HB THR A 132 0.939 -18.699 13.861 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.368 -17.565 15.371 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.913 -19.753 15.879 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.719 -20.902 14.535 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.327 -20.243 14.917 1.00 0.00 H new ATOM 1981 N PRO A 133 0.447 -20.333 11.755 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.748 -20.556 10.933 1.00 0.00 C ATOM 1983 C PRO A 133 -1.727 -19.390 11.011 1.00 0.00 C ATOM 1984 O PRO A 133 -1.950 -18.823 12.081 1.00 0.00 O ATOM 1985 CB PRO A 133 -1.373 -21.819 11.536 1.00 0.00 C ATOM 1986 CG PRO A 133 -0.261 -22.491 12.266 1.00 0.00 C ATOM 1987 CD PRO A 133 0.626 -21.388 12.767 1.00 0.00 C ATOM 0 HA PRO A 133 -0.500 -20.654 9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.193 -21.570 12.209 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.783 -22.465 10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.642 -23.092 13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.287 -23.165 11.608 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.328 -21.050 13.759 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.666 -21.707 12.838 1.00 0.00 H new ATOM 1995 N GLU A 134 -2.318 -19.044 9.872 1.00 0.00 N ATOM 1996 CA GLU A 134 -3.286 -17.954 9.805 1.00 0.00 C ATOM 1997 C GLU A 134 -2.677 -16.624 10.251 1.00 0.00 C ATOM 1998 O GLU A 134 -3.403 -15.683 10.570 1.00 0.00 O ATOM 1999 CB GLU A 134 -4.504 -18.280 10.670 1.00 0.00 C ATOM 2000 CG GLU A 134 -5.579 -19.066 9.937 1.00 0.00 C ATOM 2001 CD GLU A 134 -6.414 -19.922 10.869 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -7.421 -19.410 11.401 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -6.060 -21.103 11.066 1.00 0.00 O ATOM 0 H GLU A 134 -2.143 -19.505 8.979 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.591 -17.850 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.179 -18.850 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.935 -17.350 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.231 -18.373 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.110 -19.703 9.187 1.00 0.00 H new ATOM 2010 N ILE A 135 -1.350 -16.546 10.275 1.00 0.00 N ATOM 2011 CA ILE A 135 -0.676 -15.321 10.689 1.00 0.00 C ATOM 2012 C ILE A 135 0.665 -15.146 9.979 1.00 0.00 C ATOM 2013 O ILE A 135 1.599 -15.922 10.183 1.00 0.00 O ATOM 2014 CB ILE A 135 -0.455 -15.291 12.217 1.00 0.00 C ATOM 2015 CG1 ILE A 135 0.279 -14.013 12.633 1.00 0.00 C ATOM 2016 CG2 ILE A 135 0.312 -16.522 12.671 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -0.251 -13.400 13.910 1.00 0.00 C ATOM 0 H ILE A 135 -0.725 -17.309 10.015 1.00 0.00 H new ATOM 0 HA ILE A 135 -1.330 -14.495 10.407 1.00 0.00 H new ATOM 0 HB ILE A 135 -1.431 -15.297 12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.338 -14.237 12.759 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.202 -13.281 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.458 -16.482 13.750 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -0.253 -17.418 12.414 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.282 -16.550 12.175 1.00 0.00 H new ATOM 0 HD11 ILE A 135 0.316 -12.499 14.143 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.303 -13.144 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.148 -14.115 14.727 1.00 0.00 H new ATOM 2029 N ALA A 136 0.746 -14.116 9.142 1.00 0.00 N ATOM 2030 CA ALA A 136 1.966 -13.825 8.397 1.00 0.00 C ATOM 2031 C ALA A 136 2.366 -12.363 8.550 1.00 0.00 C ATOM 2032 O ALA A 136 1.533 -11.512 8.865 1.00 0.00 O ATOM 2033 CB ALA A 136 1.781 -14.173 6.928 1.00 0.00 C ATOM 0 H ALA A 136 -0.021 -13.468 8.963 1.00 0.00 H new ATOM 0 HA ALA A 136 2.769 -14.438 8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.699 -13.951 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.549 -15.234 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.962 -13.584 6.515 1.00 0.00 H new ATOM 2039 N THR A 137 3.643 -12.072 8.324 1.00 0.00 N ATOM 2040 CA THR A 137 4.146 -10.707 8.434 1.00 0.00 C ATOM 2041 C THR A 137 4.837 -10.286 7.142 1.00 0.00 C ATOM 2042 O THR A 137 5.526 -11.088 6.510 1.00 0.00 O ATOM 2043 CB THR A 137 5.119 -10.591 9.609 1.00 0.00 C ATOM 2044 OG1 THR A 137 5.738 -9.317 9.623 1.00 0.00 O ATOM 2045 CG2 THR A 137 6.215 -11.635 9.585 1.00 0.00 C ATOM 0 H THR A 137 4.348 -12.762 8.064 1.00 0.00 H new ATOM 0 HA THR A 137 3.299 -10.043 8.610 1.00 0.00 H new ATOM 0 HB THR A 137 4.513 -10.746 10.502 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.355 -9.261 10.382 1.00 0.00 H new ATOM 0 HG21 THR A 137 6.869 -11.496 10.446 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.771 -12.630 9.624 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.795 -11.533 8.668 1.00 0.00 H new ATOM 2053 N ARG A 138 4.642 -9.034 6.744 1.00 0.00 N ATOM 2054 CA ARG A 138 5.244 -8.530 5.515 1.00 0.00 C ATOM 2055 C ARG A 138 5.861 -7.149 5.711 1.00 0.00 C ATOM 2056 O ARG A 138 5.250 -6.257 6.298 1.00 0.00 O ATOM 2057 CB ARG A 138 4.199 -8.472 4.398 1.00 0.00 C ATOM 2058 CG ARG A 138 3.245 -9.656 4.390 1.00 0.00 C ATOM 2059 CD ARG A 138 2.710 -9.931 2.994 1.00 0.00 C ATOM 2060 NE ARG A 138 1.699 -10.985 2.993 1.00 0.00 N ATOM 2061 CZ ARG A 138 0.970 -11.313 1.928 1.00 0.00 C ATOM 2062 NH1 ARG A 138 1.139 -10.673 0.777 1.00 0.00 N ATOM 2063 NH2 ARG A 138 0.072 -12.285 2.014 1.00 0.00 N ATOM 0 H ARG A 138 4.076 -8.353 7.250 1.00 0.00 H new ATOM 0 HA ARG A 138 6.041 -9.219 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.622 -7.553 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 138 4.710 -8.422 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.759 -10.541 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 138 2.414 -9.459 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 138 2.281 -9.017 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.534 -10.218 2.340 1.00 0.00 H new ATOM 0 HE ARG A 138 1.542 -11.500 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.830 -9.926 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.578 -10.928 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -0.060 -12.781 2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.487 -12.537 1.199 1.00 0.00 H new ATOM 2077 N LEU A 139 7.074 -6.982 5.193 1.00 0.00 N ATOM 2078 CA LEU A 139 7.787 -5.712 5.280 1.00 0.00 C ATOM 2079 C LEU A 139 8.298 -5.319 3.900 1.00 0.00 C ATOM 2080 O LEU A 139 8.902 -6.136 3.205 1.00 0.00 O ATOM 2081 CB LEU A 139 8.955 -5.818 6.264 1.00 0.00 C ATOM 2082 CG LEU A 139 9.408 -4.491 6.876 1.00 0.00 C ATOM 2083 CD1 LEU A 139 10.272 -4.737 8.103 1.00 0.00 C ATOM 2084 CD2 LEU A 139 10.160 -3.661 5.848 1.00 0.00 C ATOM 0 H LEU A 139 7.587 -7.716 4.705 1.00 0.00 H new ATOM 0 HA LEU A 139 7.102 -4.946 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 139 8.671 -6.494 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 139 9.803 -6.272 5.751 1.00 0.00 H new ATOM 0 HG LEU A 139 8.524 -3.934 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.585 -3.782 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 139 9.699 -5.292 8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 139 11.152 -5.314 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 139 10.475 -2.720 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.037 -4.211 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 139 9.508 -3.455 4.999 1.00 0.00 H new ATOM 2096 N GLU A 140 8.047 -4.080 3.488 1.00 0.00 N ATOM 2097 CA GLU A 140 8.485 -3.632 2.171 1.00 0.00 C ATOM 2098 C GLU A 140 8.700 -2.127 2.123 1.00 0.00 C ATOM 2099 O GLU A 140 8.330 -1.397 3.042 1.00 0.00 O ATOM 2100 CB GLU A 140 7.463 -4.042 1.110 1.00 0.00 C ATOM 2101 CG GLU A 140 6.078 -3.460 1.343 1.00 0.00 C ATOM 2102 CD GLU A 140 5.275 -4.252 2.356 1.00 0.00 C ATOM 2103 OE1 GLU A 140 5.452 -4.014 3.570 1.00 0.00 O ATOM 2104 OE2 GLU A 140 4.470 -5.108 1.937 1.00 0.00 O ATOM 0 H GLU A 140 7.551 -3.378 4.037 1.00 0.00 H new ATOM 0 HA GLU A 140 9.442 -4.111 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.821 -3.725 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.392 -5.129 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 140 6.174 -2.430 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.536 -3.432 0.398 1.00 0.00 H new ATOM 2111 N TYR A 141 9.305 -1.677 1.031 1.00 0.00 N ATOM 2112 CA TYR A 141 9.585 -0.264 0.830 1.00 0.00 C ATOM 2113 C TYR A 141 8.935 0.241 -0.455 1.00 0.00 C ATOM 2114 O TYR A 141 8.569 -0.547 -1.328 1.00 0.00 O ATOM 2115 CB TYR A 141 11.094 -0.023 0.781 1.00 0.00 C ATOM 2116 CG TYR A 141 11.805 -0.363 2.071 1.00 0.00 C ATOM 2117 CD1 TYR A 141 11.814 -1.664 2.560 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.469 0.616 2.799 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.463 -1.979 3.738 1.00 0.00 C ATOM 2120 CE2 TYR A 141 13.121 0.308 3.979 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.115 -0.990 4.443 1.00 0.00 C ATOM 2122 OH TYR A 141 13.763 -1.299 5.617 1.00 0.00 O ATOM 0 H TYR A 141 9.613 -2.277 0.266 1.00 0.00 H new ATOM 0 HA TYR A 141 9.164 0.288 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.522 -0.617 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.278 1.024 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.305 -2.442 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.476 1.634 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 141 12.460 -2.995 4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.632 1.080 4.534 1.00 0.00 H new ATOM 0 HH TYR A 141 14.363 -0.564 5.863 1.00 0.00 H new ATOM 2419 N LEU A 162 9.425 3.147 3.915 1.00 0.00 N ATOM 2420 CA LEU A 162 9.603 1.933 4.706 1.00 0.00 C ATOM 2421 C LEU A 162 8.297 1.567 5.404 1.00 0.00 C ATOM 2422 O LEU A 162 7.775 2.344 6.202 1.00 0.00 O ATOM 2423 CB LEU A 162 10.714 2.128 5.741 1.00 0.00 C ATOM 2424 CG LEU A 162 11.156 0.855 6.465 1.00 0.00 C ATOM 2425 CD1 LEU A 162 12.511 1.062 7.126 1.00 0.00 C ATOM 2426 CD2 LEU A 162 10.117 0.440 7.494 1.00 0.00 C ATOM 0 HA LEU A 162 9.888 1.121 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 162 11.580 2.564 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 162 10.375 2.851 6.483 1.00 0.00 H new ATOM 0 HG LEU A 162 11.250 0.055 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 162 12.810 0.147 7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 162 13.252 1.313 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 162 12.443 1.875 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 162 10.448 -0.467 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 162 9.991 1.238 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 162 9.166 0.252 6.995 1.00 0.00 H new ATOM 2438 N SER A 163 7.762 0.384 5.094 1.00 0.00 N ATOM 2439 CA SER A 163 6.507 -0.053 5.694 1.00 0.00 C ATOM 2440 C SER A 163 6.595 -1.486 6.210 1.00 0.00 C ATOM 2441 O SER A 163 7.382 -2.295 5.716 1.00 0.00 O ATOM 2442 CB SER A 163 5.367 0.064 4.681 1.00 0.00 C ATOM 2443 OG SER A 163 4.180 -0.529 5.177 1.00 0.00 O ATOM 0 H SER A 163 8.175 -0.279 4.438 1.00 0.00 H new ATOM 0 HA SER A 163 6.307 0.598 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.185 1.114 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 163 5.655 -0.419 3.747 1.00 0.00 H new ATOM 0 HG SER A 163 3.467 -0.439 4.511 1.00 0.00 H new ATOM 2449 N LEU A 164 5.761 -1.785 7.200 1.00 0.00 N ATOM 2450 CA LEU A 164 5.702 -3.112 7.798 1.00 0.00 C ATOM 2451 C LEU A 164 4.265 -3.442 8.185 1.00 0.00 C ATOM 2452 O LEU A 164 3.631 -2.706 8.942 1.00 0.00 O ATOM 2453 CB LEU A 164 6.610 -3.186 9.028 1.00 0.00 C ATOM 2454 CG LEU A 164 6.562 -4.512 9.789 1.00 0.00 C ATOM 2455 CD1 LEU A 164 7.921 -4.829 10.395 1.00 0.00 C ATOM 2456 CD2 LEU A 164 5.492 -4.468 10.869 1.00 0.00 C ATOM 0 H LEU A 164 5.109 -1.116 7.609 1.00 0.00 H new ATOM 0 HA LEU A 164 6.051 -3.842 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 164 7.637 -3.002 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.337 -2.382 9.712 1.00 0.00 H new ATOM 0 HG LEU A 164 6.307 -5.304 9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 164 7.868 -5.776 10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.665 -4.903 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.206 -4.035 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 164 5.472 -5.420 11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.717 -3.665 11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.520 -4.288 10.411 1.00 0.00 H new ATOM 2468 N GLY A 165 3.748 -4.544 7.651 1.00 0.00 N ATOM 2469 CA GLY A 165 2.382 -4.930 7.951 1.00 0.00 C ATOM 2470 C GLY A 165 2.203 -6.427 8.101 1.00 0.00 C ATOM 2471 O GLY A 165 3.053 -7.211 7.681 1.00 0.00 O ATOM 0 H GLY A 165 4.246 -5.172 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.067 -4.439 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 165 1.727 -4.570 7.157 1.00 0.00 H new ATOM 2475 N VAL A 166 1.080 -6.818 8.694 1.00 0.00 N ATOM 2476 CA VAL A 166 0.773 -8.229 8.892 1.00 0.00 C ATOM 2477 C VAL A 166 -0.293 -8.679 7.902 1.00 0.00 C ATOM 2478 O VAL A 166 -1.168 -7.897 7.529 1.00 0.00 O ATOM 2479 CB VAL A 166 0.282 -8.506 10.325 1.00 0.00 C ATOM 2480 CG1 VAL A 166 1.399 -8.270 11.328 1.00 0.00 C ATOM 2481 CG2 VAL A 166 -0.929 -7.643 10.650 1.00 0.00 C ATOM 0 H VAL A 166 0.368 -6.178 9.046 1.00 0.00 H new ATOM 0 HA VAL A 166 1.693 -8.790 8.727 1.00 0.00 H new ATOM 0 HB VAL A 166 -0.017 -9.552 10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.033 -8.471 12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 166 2.234 -8.935 11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 166 1.733 -7.234 11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -1.262 -7.852 11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.659 -6.590 10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.734 -7.868 9.951 1.00 0.00 H new ATOM 2491 N SER A 167 -0.216 -9.934 7.468 1.00 0.00 N ATOM 2492 CA SER A 167 -1.180 -10.462 6.511 1.00 0.00 C ATOM 2493 C SER A 167 -1.668 -11.850 6.911 1.00 0.00 C ATOM 2494 O SER A 167 -0.907 -12.666 7.433 1.00 0.00 O ATOM 2495 CB SER A 167 -0.560 -10.513 5.113 1.00 0.00 C ATOM 2496 OG SER A 167 -1.544 -10.323 4.111 1.00 0.00 O ATOM 0 H SER A 167 0.499 -10.599 7.762 1.00 0.00 H new ATOM 0 HA SER A 167 -2.040 -9.792 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 167 0.207 -9.744 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 167 -0.067 -11.474 4.965 1.00 0.00 H new ATOM 0 HG SER A 167 -1.107 -10.199 3.243 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.947 -12.105 6.655 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.554 -13.390 6.981 1.00 0.00 C ATOM 2504 C TYR A 168 -3.861 -14.179 5.711 1.00 0.00 C ATOM 2505 O TYR A 168 -4.428 -13.646 4.757 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.836 -13.182 7.788 1.00 0.00 C ATOM 2507 CG TYR A 168 -4.608 -12.512 9.125 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -4.154 -11.201 9.197 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -4.845 -13.191 10.314 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -3.944 -10.586 10.417 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -4.638 -12.583 11.536 1.00 0.00 C ATOM 2512 CZ TYR A 168 -4.188 -11.280 11.583 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.979 -10.671 12.799 1.00 0.00 O ATOM 0 H TYR A 168 -3.584 -11.437 6.222 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.845 -13.959 7.582 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.530 -12.579 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -5.313 -14.148 7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -3.962 -10.654 8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -5.197 -14.211 10.282 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -3.590 -9.566 10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -4.827 -13.125 12.451 1.00 0.00 H new ATOM 0 HH TYR A 168 -4.199 -11.297 13.520 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.479 -15.452 5.713 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.707 -16.323 4.565 1.00 0.00 C ATOM 2525 C ARG A 169 -4.786 -17.356 4.872 1.00 0.00 C ATOM 2526 O ARG A 169 -4.610 -18.217 5.735 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.407 -17.024 4.166 1.00 0.00 C ATOM 2528 CG ARG A 169 -2.133 -16.992 2.671 1.00 0.00 C ATOM 2529 CD ARG A 169 -1.209 -15.842 2.296 1.00 0.00 C ATOM 2530 NE ARG A 169 -0.060 -16.296 1.515 1.00 0.00 N ATOM 2531 CZ ARG A 169 0.934 -17.027 2.014 1.00 0.00 C ATOM 2532 NH1 ARG A 169 0.924 -17.389 3.291 1.00 0.00 N ATOM 2533 NH2 ARG A 169 1.941 -17.398 1.235 1.00 0.00 N ATOM 0 H ARG A 169 -3.010 -15.904 6.498 1.00 0.00 H new ATOM 0 HA ARG A 169 -4.048 -15.707 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -1.575 -16.554 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -2.447 -18.062 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -1.684 -17.936 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -3.074 -16.895 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -1.767 -15.101 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -0.859 -15.348 3.202 1.00 0.00 H new ATOM 0 HE ARG A 169 -0.017 -16.037 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.152 -17.107 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 169 1.688 -17.949 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 169 1.954 -17.123 0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 169 2.702 -17.958 1.618 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.905 -17.267 4.159 1.00 0.00 N ATOM 2548 CA PHE A 170 -7.013 -18.195 4.355 1.00 0.00 C ATOM 2549 C PHE A 170 -6.801 -19.473 3.550 1.00 0.00 C ATOM 2550 O PHE A 170 -6.458 -19.425 2.368 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.333 -17.537 3.951 1.00 0.00 C ATOM 2552 CG PHE A 170 -9.512 -18.019 4.746 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -9.977 -19.316 4.603 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -10.155 -17.175 5.638 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -11.062 -19.762 5.334 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -11.240 -17.617 6.371 1.00 0.00 C ATOM 2557 CZ PHE A 170 -11.694 -18.911 6.220 1.00 0.00 C ATOM 0 H PHE A 170 -6.068 -16.562 3.440 1.00 0.00 H new ATOM 0 HA PHE A 170 -7.054 -18.456 5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -8.242 -16.457 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.516 -17.728 2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -9.486 -19.986 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -9.804 -16.161 5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -11.416 -20.775 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -11.733 -16.949 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 170 -12.541 -19.258 6.793 1.00 0.00 H new