USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= 0.225 K(o=1.1,f=-6.2!) USER MOD Set 1.2: A 90 SER OG : rot 75:sc= 0.851 USER MOD Set 2.1: A 21 SER OG : rot -102:sc= -0.967! USER MOD Set 2.2: A 62 ASN : amide:sc= -5.38! C(o=-6.3!,f=-17!) USER MOD Set 3.1: A 10 THR OG1 : rot -128:sc= 0.111 USER MOD Set 3.2: A 13 SER OG : rot 180:sc= -1.21 USER MOD Set 4.1: A 5 SER OG : rot -171:sc= -2.97! USER MOD Set 4.2: A 6 HIS : no HD1:sc= -1.86! K(o=-4.8!,f=-1) USER MOD Single : A 1 GLY N :NH3+ -109:sc= -1.2 (180deg=-3.83!) USER MOD Single : A 11 SER OG : rot 59:sc= 0.551 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -81:sc= -3.44! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -33:sc= 0.894! USER MOD Single : A 30 SER OG : rot 19:sc= 0.982 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 34 SER OG : rot -150:sc= -0.396 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 86:sc= -0.904 USER MOD Single : A 50 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 23:sc= 1.16 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -2.19 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.49! C(o=-2.5!,f=-4.3!) USER MOD Single : A 80 SER OG : rot 75:sc= -4.67! USER MOD Single : A 85 GLN : amide:sc= -3.19! K(o=-3.2!,f=-0.41) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -170:sc= -0.0125 USER MOD Single : A 93 GLN : amide:sc= -7.9! C(o=-7.9!,f=-4.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -90:sc= -0.681! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.169 2.431 -25.037 1.00 0.00 N ATOM 2 CA GLY A 1 -12.702 1.415 -24.050 1.00 0.00 C ATOM 3 C GLY A 1 -11.293 0.961 -24.414 1.00 0.00 C ATOM 4 O GLY A 1 -11.053 -0.222 -24.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.201 3.366 -24.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.512 2.460 -25.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.119 2.177 -25.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.711 1.838 -23.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.380 0.561 -24.043 1.00 0.00 H new ATOM 10 N PRO A 2 -10.365 1.877 -24.456 1.00 0.00 N ATOM 11 CA PRO A 2 -8.943 1.577 -24.798 1.00 0.00 C ATOM 12 C PRO A 2 -8.329 0.546 -23.853 1.00 0.00 C ATOM 13 O PRO A 2 -8.536 0.603 -22.640 1.00 0.00 O ATOM 14 CB PRO A 2 -8.229 2.929 -24.672 1.00 0.00 C ATOM 15 CG PRO A 2 -9.158 3.815 -23.906 1.00 0.00 C ATOM 16 CD PRO A 2 -10.570 3.304 -24.177 1.00 0.00 C ATOM 0 HA PRO A 2 -8.852 1.141 -25.793 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.277 2.821 -24.153 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.011 3.348 -25.654 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.933 3.784 -22.840 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.054 4.853 -24.223 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.224 3.456 -23.319 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.028 3.817 -25.022 1.00 0.00 H new ATOM 24 N LEU A 3 -7.572 -0.389 -24.419 1.00 0.00 N ATOM 25 CA LEU A 3 -6.927 -1.432 -23.624 1.00 0.00 C ATOM 26 C LEU A 3 -7.773 -1.792 -22.406 1.00 0.00 C ATOM 27 O LEU A 3 -7.246 -2.250 -21.391 1.00 0.00 O ATOM 28 CB LEU A 3 -5.547 -0.961 -23.155 1.00 0.00 C ATOM 29 CG LEU A 3 -4.532 -1.074 -24.298 1.00 0.00 C ATOM 30 CD1 LEU A 3 -4.505 0.233 -25.092 1.00 0.00 C ATOM 31 CD2 LEU A 3 -3.143 -1.343 -23.714 1.00 0.00 C ATOM 0 H LEU A 3 -7.390 -0.447 -25.421 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.820 -2.315 -24.254 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.605 0.072 -22.811 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.219 -1.562 -22.307 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.818 -1.892 -24.959 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.783 0.150 -25.904 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.495 0.428 -25.505 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.218 1.053 -24.433 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.417 -1.424 -24.523 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.860 -0.523 -23.054 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.161 -2.274 -23.148 1.00 0.00 H new ATOM 43 N GLY A 4 -9.080 -1.579 -22.506 1.00 0.00 N ATOM 44 CA GLY A 4 -9.972 -1.885 -21.393 1.00 0.00 C ATOM 45 C GLY A 4 -10.837 -3.104 -21.693 1.00 0.00 C ATOM 46 O GLY A 4 -11.108 -3.420 -22.852 1.00 0.00 O ATOM 0 H GLY A 4 -9.541 -1.201 -23.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.384 -2.066 -20.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.610 -1.025 -21.189 1.00 0.00 H new ATOM 50 N SER A 5 -11.273 -3.781 -20.636 1.00 0.00 N ATOM 51 CA SER A 5 -12.116 -4.963 -20.782 1.00 0.00 C ATOM 52 C SER A 5 -11.533 -5.936 -21.800 1.00 0.00 C ATOM 53 O SER A 5 -10.464 -5.703 -22.363 1.00 0.00 O ATOM 54 CB SER A 5 -13.518 -4.548 -21.227 1.00 0.00 C ATOM 55 OG SER A 5 -14.045 -5.540 -22.098 1.00 0.00 O ATOM 0 H SER A 5 -11.057 -3.532 -19.671 1.00 0.00 H new ATOM 0 HA SER A 5 -12.164 -5.462 -19.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.167 -4.427 -20.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.481 -3.584 -21.734 1.00 0.00 H new ATOM 0 HG SER A 5 -14.879 -5.215 -22.498 1.00 0.00 H new ATOM 61 N HIS A 6 -12.256 -7.027 -22.030 1.00 0.00 N ATOM 62 CA HIS A 6 -11.824 -8.043 -22.983 1.00 0.00 C ATOM 63 C HIS A 6 -10.449 -8.593 -22.610 1.00 0.00 C ATOM 64 O HIS A 6 -10.208 -8.961 -21.460 1.00 0.00 O ATOM 65 CB HIS A 6 -11.776 -7.449 -24.390 1.00 0.00 C ATOM 66 CG HIS A 6 -13.087 -6.778 -24.692 1.00 0.00 C ATOM 67 ND1 HIS A 6 -14.227 -7.493 -25.027 1.00 0.00 N ATOM 68 CD2 HIS A 6 -13.454 -5.456 -24.717 1.00 0.00 C ATOM 69 CE1 HIS A 6 -15.216 -6.606 -25.236 1.00 0.00 C ATOM 70 NE2 HIS A 6 -14.798 -5.350 -25.061 1.00 0.00 N ATOM 0 H HIS A 6 -13.143 -7.230 -21.570 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.542 -8.863 -22.957 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.960 -6.730 -24.466 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.579 -8.233 -25.121 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.799 -4.624 -24.502 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.225 -6.876 -25.512 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.347 -4.496 -25.159 1.00 0.00 H new ATOM 79 N LEU A 7 -9.557 -8.661 -23.595 1.00 0.00 N ATOM 80 CA LEU A 7 -8.214 -9.187 -23.361 1.00 0.00 C ATOM 81 C LEU A 7 -7.242 -8.077 -22.969 1.00 0.00 C ATOM 82 O LEU A 7 -7.161 -7.041 -23.629 1.00 0.00 O ATOM 83 CB LEU A 7 -7.708 -9.888 -24.624 1.00 0.00 C ATOM 84 CG LEU A 7 -8.527 -11.157 -24.870 1.00 0.00 C ATOM 85 CD1 LEU A 7 -9.926 -10.781 -25.362 1.00 0.00 C ATOM 86 CD2 LEU A 7 -7.830 -12.012 -25.930 1.00 0.00 C ATOM 0 H LEU A 7 -9.736 -8.362 -24.554 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.269 -9.898 -22.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.789 -9.219 -25.481 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.653 -10.139 -24.515 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.610 -11.719 -23.940 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.506 -11.687 -25.536 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.424 -10.170 -24.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.846 -10.218 -26.292 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.411 -12.917 -26.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.748 -11.446 -26.858 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.834 -12.283 -25.581 1.00 0.00 H new ATOM 98 N VAL A 8 -6.498 -8.315 -21.892 1.00 0.00 N ATOM 99 CA VAL A 8 -5.516 -7.348 -21.410 1.00 0.00 C ATOM 100 C VAL A 8 -4.476 -8.040 -20.536 1.00 0.00 C ATOM 101 O VAL A 8 -4.820 -8.798 -19.629 1.00 0.00 O ATOM 102 CB VAL A 8 -6.202 -6.242 -20.608 1.00 0.00 C ATOM 103 CG1 VAL A 8 -7.093 -6.866 -19.531 1.00 0.00 C ATOM 104 CG2 VAL A 8 -5.135 -5.372 -19.941 1.00 0.00 C ATOM 0 H VAL A 8 -6.556 -9.169 -21.337 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.021 -6.906 -22.275 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.813 -5.633 -21.274 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.581 -6.076 -18.960 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.849 -7.493 -20.003 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.484 -7.474 -18.862 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.617 -4.581 -19.367 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.529 -5.986 -19.275 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.497 -4.928 -20.705 1.00 0.00 H new ATOM 114 N ALA A 9 -3.205 -7.779 -20.815 1.00 0.00 N ATOM 115 CA ALA A 9 -2.125 -8.389 -20.046 1.00 0.00 C ATOM 116 C ALA A 9 -1.653 -7.456 -18.934 1.00 0.00 C ATOM 117 O ALA A 9 -1.412 -6.272 -19.165 1.00 0.00 O ATOM 118 CB ALA A 9 -0.951 -8.715 -20.971 1.00 0.00 C ATOM 0 H ALA A 9 -2.897 -7.155 -21.561 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.503 -9.306 -19.593 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.147 -9.170 -20.392 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.279 -9.409 -21.745 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.589 -7.798 -21.436 1.00 0.00 H new ATOM 124 N THR A 10 -1.511 -8.001 -17.728 1.00 0.00 N ATOM 125 CA THR A 10 -1.056 -7.210 -16.589 1.00 0.00 C ATOM 126 C THR A 10 0.359 -7.618 -16.191 1.00 0.00 C ATOM 127 O THR A 10 0.937 -7.058 -15.261 1.00 0.00 O ATOM 128 CB THR A 10 -1.998 -7.406 -15.400 1.00 0.00 C ATOM 129 OG1 THR A 10 -1.919 -6.273 -14.545 1.00 0.00 O ATOM 130 CG2 THR A 10 -1.594 -8.661 -14.625 1.00 0.00 C ATOM 0 H THR A 10 -1.703 -8.980 -17.516 1.00 0.00 H new ATOM 0 HA THR A 10 -1.056 -6.159 -16.878 1.00 0.00 H new ATOM 0 HB THR A 10 -3.020 -7.520 -15.761 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.743 -6.568 -13.627 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.267 -8.798 -13.778 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.655 -9.529 -15.281 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.572 -8.551 -14.262 1.00 0.00 H new ATOM 138 N SER A 11 0.906 -8.598 -16.906 1.00 0.00 N ATOM 139 CA SER A 11 2.256 -9.089 -16.634 1.00 0.00 C ATOM 140 C SER A 11 2.654 -8.831 -15.183 1.00 0.00 C ATOM 141 O SER A 11 2.972 -7.704 -14.804 1.00 0.00 O ATOM 142 CB SER A 11 3.256 -8.404 -17.564 1.00 0.00 C ATOM 143 OG SER A 11 4.420 -8.056 -16.827 1.00 0.00 O ATOM 0 H SER A 11 0.435 -9.069 -17.679 1.00 0.00 H new ATOM 0 HA SER A 11 2.265 -10.165 -16.810 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.518 -9.068 -18.388 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.810 -7.512 -18.003 1.00 0.00 H new ATOM 0 HG SER A 11 4.817 -8.865 -16.441 1.00 0.00 H new ATOM 149 N GLU A 12 2.645 -9.888 -14.379 1.00 0.00 N ATOM 150 CA GLU A 12 3.011 -9.768 -12.974 1.00 0.00 C ATOM 151 C GLU A 12 2.478 -8.460 -12.401 1.00 0.00 C ATOM 152 O GLU A 12 3.062 -7.397 -12.610 1.00 0.00 O ATOM 153 CB GLU A 12 4.533 -9.799 -12.821 1.00 0.00 C ATOM 154 CG GLU A 12 5.091 -11.079 -13.446 1.00 0.00 C ATOM 155 CD GLU A 12 5.410 -10.842 -14.919 1.00 0.00 C ATOM 156 OE1 GLU A 12 5.069 -9.781 -15.414 1.00 0.00 O ATOM 157 OE2 GLU A 12 5.988 -11.725 -15.529 1.00 0.00 O ATOM 0 H GLU A 12 2.390 -10.831 -14.674 1.00 0.00 H new ATOM 0 HA GLU A 12 2.574 -10.607 -12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.974 -8.926 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.803 -9.751 -11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.991 -11.390 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.367 -11.888 -13.347 1.00 0.00 H new ATOM 164 N SER A 13 1.372 -8.544 -11.674 1.00 0.00 N ATOM 165 CA SER A 13 0.781 -7.356 -11.076 1.00 0.00 C ATOM 166 C SER A 13 1.557 -6.960 -9.827 1.00 0.00 C ATOM 167 O SER A 13 1.243 -5.964 -9.176 1.00 0.00 O ATOM 168 CB SER A 13 -0.679 -7.628 -10.710 1.00 0.00 C ATOM 169 OG SER A 13 -1.416 -7.908 -11.893 1.00 0.00 O ATOM 0 H SER A 13 0.871 -9.412 -11.486 1.00 0.00 H new ATOM 0 HA SER A 13 0.824 -6.540 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.742 -8.470 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.105 -6.765 -10.199 1.00 0.00 H new ATOM 0 HG SER A 13 -2.352 -8.084 -11.661 1.00 0.00 H new ATOM 175 N VAL A 14 2.576 -7.749 -9.500 1.00 0.00 N ATOM 176 CA VAL A 14 3.395 -7.475 -8.328 1.00 0.00 C ATOM 177 C VAL A 14 4.856 -7.269 -8.720 1.00 0.00 C ATOM 178 O VAL A 14 5.424 -8.066 -9.465 1.00 0.00 O ATOM 179 CB VAL A 14 3.291 -8.635 -7.340 1.00 0.00 C ATOM 180 CG1 VAL A 14 4.015 -8.268 -6.044 1.00 0.00 C ATOM 181 CG2 VAL A 14 1.817 -8.917 -7.042 1.00 0.00 C ATOM 0 H VAL A 14 2.852 -8.577 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 14 3.028 -6.561 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 14 3.751 -9.524 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.941 -9.096 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.065 -8.067 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.556 -7.380 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.740 -9.745 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.357 -8.028 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.303 -9.179 -7.967 1.00 0.00 H new ATOM 191 N THR A 15 5.463 -6.203 -8.204 1.00 0.00 N ATOM 192 CA THR A 15 6.862 -5.919 -8.500 1.00 0.00 C ATOM 193 C THR A 15 7.666 -5.823 -7.209 1.00 0.00 C ATOM 194 O THR A 15 7.834 -6.818 -6.509 1.00 0.00 O ATOM 195 CB THR A 15 6.992 -4.611 -9.283 1.00 0.00 C ATOM 196 OG1 THR A 15 6.359 -4.756 -10.547 1.00 0.00 O ATOM 197 CG2 THR A 15 8.475 -4.277 -9.489 1.00 0.00 C ATOM 0 H THR A 15 5.013 -5.529 -7.585 1.00 0.00 H new ATOM 0 HA THR A 15 7.254 -6.735 -9.108 1.00 0.00 H new ATOM 0 HB THR A 15 6.516 -3.805 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.439 -3.919 -11.051 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.564 -3.345 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.961 -4.167 -8.520 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.955 -5.081 -10.047 1.00 0.00 H new ATOM 205 N GLU A 16 8.164 -4.617 -6.914 1.00 0.00 N ATOM 206 CA GLU A 16 8.966 -4.385 -5.712 1.00 0.00 C ATOM 207 C GLU A 16 8.852 -5.552 -4.746 1.00 0.00 C ATOM 208 O GLU A 16 8.162 -5.466 -3.732 1.00 0.00 O ATOM 209 CB GLU A 16 8.516 -3.102 -5.009 1.00 0.00 C ATOM 210 CG GLU A 16 8.699 -1.907 -5.948 1.00 0.00 C ATOM 211 CD GLU A 16 7.430 -1.668 -6.758 1.00 0.00 C ATOM 212 OE1 GLU A 16 6.439 -2.320 -6.477 1.00 0.00 O ATOM 213 OE2 GLU A 16 7.466 -0.830 -7.643 1.00 0.00 O ATOM 0 H GLU A 16 8.025 -3.788 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 16 10.006 -4.285 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.471 -3.186 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.095 -2.953 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.942 -1.016 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.538 -2.089 -6.620 1.00 0.00 H new ATOM 220 N ILE A 17 9.529 -6.648 -5.067 1.00 0.00 N ATOM 221 CA ILE A 17 9.481 -7.821 -4.211 1.00 0.00 C ATOM 222 C ILE A 17 10.359 -7.599 -2.986 1.00 0.00 C ATOM 223 O ILE A 17 10.331 -8.385 -2.040 1.00 0.00 O ATOM 224 CB ILE A 17 9.976 -9.055 -4.968 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.267 -9.153 -6.319 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.669 -10.308 -4.147 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.814 -10.355 -7.092 1.00 0.00 C ATOM 0 H ILE A 17 10.108 -6.747 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 17 8.449 -7.983 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 17 11.051 -8.971 -5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.192 -9.260 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.421 -8.238 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.020 -11.190 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.174 -10.244 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.593 -10.385 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.310 -10.428 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.885 -10.229 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.637 -11.266 -6.521 1.00 0.00 H new ATOM 239 N THR A 18 11.136 -6.517 -3.007 1.00 0.00 N ATOM 240 CA THR A 18 12.007 -6.205 -1.882 1.00 0.00 C ATOM 241 C THR A 18 11.178 -6.205 -0.610 1.00 0.00 C ATOM 242 O THR A 18 9.982 -5.920 -0.652 1.00 0.00 O ATOM 243 CB THR A 18 12.659 -4.835 -2.085 1.00 0.00 C ATOM 244 OG1 THR A 18 11.644 -3.854 -2.256 1.00 0.00 O ATOM 245 CG2 THR A 18 13.550 -4.874 -3.327 1.00 0.00 C ATOM 0 H THR A 18 11.179 -5.852 -3.780 1.00 0.00 H new ATOM 0 HA THR A 18 12.796 -6.953 -1.808 1.00 0.00 H new ATOM 0 HB THR A 18 13.265 -4.584 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.057 -2.975 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.015 -3.899 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.325 -5.629 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.946 -5.122 -4.200 1.00 0.00 H new ATOM 253 N ALA A 19 11.787 -6.556 0.516 1.00 0.00 N ATOM 254 CA ALA A 19 11.023 -6.610 1.750 1.00 0.00 C ATOM 255 C ALA A 19 9.698 -7.293 1.442 1.00 0.00 C ATOM 256 O ALA A 19 8.726 -7.176 2.188 1.00 0.00 O ATOM 257 CB ALA A 19 10.771 -5.197 2.279 1.00 0.00 C ATOM 0 H ALA A 19 12.774 -6.799 0.599 1.00 0.00 H new ATOM 0 HA ALA A 19 11.572 -7.163 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.197 -5.252 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.724 -4.705 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.211 -4.626 1.538 1.00 0.00 H new ATOM 263 N SER A 20 9.682 -7.987 0.305 1.00 0.00 N ATOM 264 CA SER A 20 8.489 -8.678 -0.161 1.00 0.00 C ATOM 265 C SER A 20 7.545 -7.680 -0.809 1.00 0.00 C ATOM 266 O SER A 20 7.161 -7.832 -1.969 1.00 0.00 O ATOM 267 CB SER A 20 7.794 -9.385 0.996 1.00 0.00 C ATOM 268 OG SER A 20 6.871 -8.497 1.600 1.00 0.00 O ATOM 0 H SER A 20 10.489 -8.084 -0.311 1.00 0.00 H new ATOM 0 HA SER A 20 8.779 -9.429 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.278 -10.275 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.529 -9.717 1.729 1.00 0.00 H new ATOM 0 HG SER A 20 7.346 -7.900 2.215 1.00 0.00 H new ATOM 274 N SER A 21 7.198 -6.651 -0.050 1.00 0.00 N ATOM 275 CA SER A 21 6.312 -5.598 -0.533 1.00 0.00 C ATOM 276 C SER A 21 5.190 -6.149 -1.396 1.00 0.00 C ATOM 277 O SER A 21 5.079 -7.351 -1.628 1.00 0.00 O ATOM 278 CB SER A 21 7.089 -4.574 -1.365 1.00 0.00 C ATOM 279 OG SER A 21 6.502 -4.493 -2.657 1.00 0.00 O ATOM 0 H SER A 21 7.518 -6.521 0.910 1.00 0.00 H new ATOM 0 HA SER A 21 5.885 -5.126 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.068 -3.599 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.136 -4.868 -1.444 1.00 0.00 H new ATOM 0 HG SER A 21 7.045 -5.000 -3.296 1.00 0.00 H new ATOM 285 N PHE A 22 4.379 -5.229 -1.889 1.00 0.00 N ATOM 286 CA PHE A 22 3.274 -5.568 -2.763 1.00 0.00 C ATOM 287 C PHE A 22 2.897 -4.363 -3.603 1.00 0.00 C ATOM 288 O PHE A 22 3.006 -3.222 -3.153 1.00 0.00 O ATOM 289 CB PHE A 22 2.011 -5.933 -1.979 1.00 0.00 C ATOM 290 CG PHE A 22 2.175 -7.147 -1.106 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.818 -8.304 -1.564 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.620 -7.114 0.172 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.899 -9.425 -0.735 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.709 -8.228 1.002 1.00 0.00 C ATOM 295 CZ PHE A 22 2.346 -9.386 0.551 1.00 0.00 C ATOM 0 H PHE A 22 4.469 -4.232 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 22 3.607 -6.414 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.721 -5.085 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.195 -6.108 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.249 -8.329 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.120 -6.222 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.388 -10.322 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.285 -8.197 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.412 -10.251 1.194 1.00 0.00 H new ATOM 305 N VAL A 23 2.385 -4.620 -4.788 1.00 0.00 N ATOM 306 CA VAL A 23 1.915 -3.543 -5.632 1.00 0.00 C ATOM 307 C VAL A 23 0.439 -3.773 -5.886 1.00 0.00 C ATOM 308 O VAL A 23 0.059 -4.625 -6.688 1.00 0.00 O ATOM 309 CB VAL A 23 2.679 -3.500 -6.952 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.954 -2.573 -7.928 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.091 -2.968 -6.702 1.00 0.00 C ATOM 0 H VAL A 23 2.284 -5.554 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 23 2.079 -2.586 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 23 2.735 -4.503 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.498 -2.541 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.945 -2.947 -8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.901 -1.570 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.640 -2.936 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.032 -1.964 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.609 -3.624 -6.002 1.00 0.00 H new ATOM 321 N VAL A 24 -0.392 -3.023 -5.178 1.00 0.00 N ATOM 322 CA VAL A 24 -1.828 -3.173 -5.315 1.00 0.00 C ATOM 323 C VAL A 24 -2.420 -1.961 -6.001 1.00 0.00 C ATOM 324 O VAL A 24 -2.126 -0.821 -5.643 1.00 0.00 O ATOM 325 CB VAL A 24 -2.470 -3.351 -3.937 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.992 -3.403 -4.088 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.973 -4.659 -3.308 1.00 0.00 C ATOM 0 H VAL A 24 -0.098 -2.311 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.029 -4.056 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.197 -2.513 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.451 -3.530 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.345 -2.474 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.266 -4.242 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.429 -4.787 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.247 -5.498 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.889 -4.623 -3.202 1.00 0.00 H new ATOM 337 N SER A 25 -3.263 -2.215 -6.987 1.00 0.00 N ATOM 338 CA SER A 25 -3.901 -1.139 -7.713 1.00 0.00 C ATOM 339 C SER A 25 -5.403 -1.335 -7.711 1.00 0.00 C ATOM 340 O SER A 25 -5.896 -2.456 -7.586 1.00 0.00 O ATOM 341 CB SER A 25 -3.384 -1.091 -9.151 1.00 0.00 C ATOM 342 OG SER A 25 -3.727 -2.302 -9.812 1.00 0.00 O ATOM 0 H SER A 25 -3.518 -3.152 -7.299 1.00 0.00 H new ATOM 0 HA SER A 25 -3.663 -0.195 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.817 -0.240 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.303 -0.953 -9.157 1.00 0.00 H new ATOM 0 HG SER A 25 -3.399 -2.275 -10.735 1.00 0.00 H new ATOM 348 N TRP A 26 -6.126 -0.239 -7.848 1.00 0.00 N ATOM 349 CA TRP A 26 -7.573 -0.297 -7.860 1.00 0.00 C ATOM 350 C TRP A 26 -8.119 0.724 -8.844 1.00 0.00 C ATOM 351 O TRP A 26 -7.379 1.254 -9.672 1.00 0.00 O ATOM 352 CB TRP A 26 -8.107 -0.013 -6.455 1.00 0.00 C ATOM 353 CG TRP A 26 -7.465 1.229 -5.920 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.926 2.482 -6.117 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.262 1.359 -5.107 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.086 3.376 -5.477 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.043 2.732 -4.840 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.346 0.428 -4.580 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.957 3.166 -4.079 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.252 0.863 -3.813 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.059 2.229 -3.563 1.00 0.00 C ATOM 0 H TRP A 26 -5.736 0.698 -7.952 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.895 -1.291 -8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.190 0.108 -6.483 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.897 -0.856 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.808 2.744 -6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.220 4.387 -5.476 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.485 -0.627 -4.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.812 4.219 -3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.556 0.141 -3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.217 2.556 -2.972 1.00 0.00 H new ATOM 372 N VAL A 27 -9.408 1.000 -8.756 1.00 0.00 N ATOM 373 CA VAL A 27 -10.018 1.964 -9.654 1.00 0.00 C ATOM 374 C VAL A 27 -10.844 2.968 -8.867 1.00 0.00 C ATOM 375 O VAL A 27 -11.689 2.588 -8.057 1.00 0.00 O ATOM 376 CB VAL A 27 -10.902 1.237 -10.667 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.455 2.240 -11.680 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.070 0.181 -11.397 1.00 0.00 C ATOM 0 H VAL A 27 -10.045 0.577 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.232 2.501 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.731 0.756 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.085 1.719 -12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.046 2.994 -11.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.629 2.723 -12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.697 -0.340 -12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.242 0.665 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.677 -0.535 -10.675 1.00 0.00 H new ATOM 388 N SER A 28 -10.600 4.249 -9.109 1.00 0.00 N ATOM 389 CA SER A 28 -11.340 5.286 -8.407 1.00 0.00 C ATOM 390 C SER A 28 -12.833 4.996 -8.489 1.00 0.00 C ATOM 391 O SER A 28 -13.432 5.064 -9.562 1.00 0.00 O ATOM 392 CB SER A 28 -11.043 6.651 -9.021 1.00 0.00 C ATOM 393 OG SER A 28 -12.051 6.967 -9.972 1.00 0.00 O ATOM 0 H SER A 28 -9.907 4.590 -9.775 1.00 0.00 H new ATOM 0 HA SER A 28 -11.032 5.296 -7.362 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.009 7.413 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.064 6.642 -9.501 1.00 0.00 H new ATOM 0 HG SER A 28 -12.361 6.145 -10.405 1.00 0.00 H new ATOM 399 N ALA A 29 -13.426 4.658 -7.350 1.00 0.00 N ATOM 400 CA ALA A 29 -14.849 4.343 -7.305 1.00 0.00 C ATOM 401 C ALA A 29 -15.688 5.609 -7.209 1.00 0.00 C ATOM 402 O ALA A 29 -16.908 5.544 -7.058 1.00 0.00 O ATOM 403 CB ALA A 29 -15.144 3.438 -6.107 1.00 0.00 C ATOM 0 H ALA A 29 -12.948 4.595 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.111 3.826 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.209 3.207 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.574 2.514 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.860 3.948 -5.187 1.00 0.00 H new ATOM 409 N SER A 30 -15.032 6.759 -7.291 1.00 0.00 N ATOM 410 CA SER A 30 -15.742 8.027 -7.205 1.00 0.00 C ATOM 411 C SER A 30 -14.797 9.194 -7.461 1.00 0.00 C ATOM 412 O SER A 30 -13.653 9.187 -7.012 1.00 0.00 O ATOM 413 CB SER A 30 -16.358 8.169 -5.818 1.00 0.00 C ATOM 414 OG SER A 30 -17.594 7.465 -5.778 1.00 0.00 O ATOM 0 H SER A 30 -14.023 6.840 -7.415 1.00 0.00 H new ATOM 0 HA SER A 30 -16.524 8.040 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.677 7.775 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.518 9.222 -5.585 1.00 0.00 H new ATOM 0 HG SER A 30 -17.626 6.819 -6.514 1.00 0.00 H new ATOM 420 N ASP A 31 -15.283 10.198 -8.179 1.00 0.00 N ATOM 421 CA ASP A 31 -14.470 11.369 -8.477 1.00 0.00 C ATOM 422 C ASP A 31 -14.590 12.395 -7.354 1.00 0.00 C ATOM 423 O ASP A 31 -14.011 13.479 -7.424 1.00 0.00 O ATOM 424 CB ASP A 31 -14.916 11.993 -9.800 1.00 0.00 C ATOM 425 CG ASP A 31 -16.346 12.505 -9.677 1.00 0.00 C ATOM 426 OD1 ASP A 31 -16.829 12.593 -8.560 1.00 0.00 O ATOM 427 OD2 ASP A 31 -16.939 12.799 -10.703 1.00 0.00 O ATOM 0 H ASP A 31 -16.228 10.226 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.428 11.059 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.249 12.812 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.852 11.255 -10.600 1.00 0.00 H new ATOM 432 N THR A 32 -15.342 12.040 -6.318 1.00 0.00 N ATOM 433 CA THR A 32 -15.530 12.924 -5.181 1.00 0.00 C ATOM 434 C THR A 32 -14.503 12.620 -4.098 1.00 0.00 C ATOM 435 O THR A 32 -14.502 13.242 -3.035 1.00 0.00 O ATOM 436 CB THR A 32 -16.938 12.738 -4.618 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.134 11.370 -4.283 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.973 13.168 -5.660 1.00 0.00 C ATOM 0 H THR A 32 -15.829 11.147 -6.245 1.00 0.00 H new ATOM 0 HA THR A 32 -15.399 13.955 -5.510 1.00 0.00 H new ATOM 0 HB THR A 32 -17.056 13.352 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.036 11.248 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.976 13.034 -5.254 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.821 14.218 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.860 12.560 -6.557 1.00 0.00 H new ATOM 446 N VAL A 33 -13.632 11.655 -4.374 1.00 0.00 N ATOM 447 CA VAL A 33 -12.605 11.268 -3.419 1.00 0.00 C ATOM 448 C VAL A 33 -11.537 12.348 -3.306 1.00 0.00 C ATOM 449 O VAL A 33 -11.077 12.890 -4.310 1.00 0.00 O ATOM 450 CB VAL A 33 -11.957 9.949 -3.849 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.561 10.013 -5.326 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.706 9.698 -3.009 1.00 0.00 C ATOM 0 H VAL A 33 -13.618 11.130 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.077 11.140 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.673 9.140 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.101 9.070 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.449 10.189 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.851 10.826 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.245 8.759 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.999 10.515 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.980 9.641 -1.956 1.00 0.00 H new ATOM 462 N SER A 34 -11.144 12.646 -2.073 1.00 0.00 N ATOM 463 CA SER A 34 -10.121 13.658 -1.831 1.00 0.00 C ATOM 464 C SER A 34 -8.761 12.987 -1.707 1.00 0.00 C ATOM 465 O SER A 34 -7.718 13.636 -1.772 1.00 0.00 O ATOM 466 CB SER A 34 -10.436 14.420 -0.544 1.00 0.00 C ATOM 467 OG SER A 34 -11.533 15.296 -0.771 1.00 0.00 O ATOM 0 H SER A 34 -11.514 12.206 -1.231 1.00 0.00 H new ATOM 0 HA SER A 34 -10.106 14.359 -2.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.675 13.720 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.563 14.988 -0.222 1.00 0.00 H new ATOM 0 HG SER A 34 -11.451 16.080 -0.189 1.00 0.00 H new ATOM 473 N GLY A 35 -8.795 11.674 -1.529 1.00 0.00 N ATOM 474 CA GLY A 35 -7.581 10.888 -1.395 1.00 0.00 C ATOM 475 C GLY A 35 -7.935 9.436 -1.107 1.00 0.00 C ATOM 476 O GLY A 35 -9.108 9.086 -0.986 1.00 0.00 O ATOM 0 H GLY A 35 -9.656 11.130 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.992 10.954 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.965 11.288 -0.590 1.00 0.00 H new ATOM 480 N PHE A 36 -6.919 8.599 -0.980 1.00 0.00 N ATOM 481 CA PHE A 36 -7.146 7.191 -0.684 1.00 0.00 C ATOM 482 C PHE A 36 -6.350 6.778 0.543 1.00 0.00 C ATOM 483 O PHE A 36 -5.297 7.340 0.830 1.00 0.00 O ATOM 484 CB PHE A 36 -6.730 6.314 -1.866 1.00 0.00 C ATOM 485 CG PHE A 36 -7.665 6.534 -3.030 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.845 5.786 -3.138 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.346 7.483 -4.006 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.705 5.990 -4.225 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.205 7.687 -5.091 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.385 6.941 -5.201 1.00 0.00 C ATOM 0 H PHE A 36 -5.939 8.864 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.211 7.055 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.708 6.550 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.743 5.264 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.091 5.053 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.436 8.059 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.614 5.414 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.958 8.420 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.048 7.099 -6.039 1.00 0.00 H new ATOM 500 N ARG A 37 -6.850 5.781 1.249 1.00 0.00 N ATOM 501 CA ARG A 37 -6.161 5.287 2.426 1.00 0.00 C ATOM 502 C ARG A 37 -6.071 3.776 2.353 1.00 0.00 C ATOM 503 O ARG A 37 -7.073 3.093 2.142 1.00 0.00 O ATOM 504 CB ARG A 37 -6.902 5.690 3.700 1.00 0.00 C ATOM 505 CG ARG A 37 -5.973 5.493 4.901 1.00 0.00 C ATOM 506 CD ARG A 37 -6.752 5.714 6.197 1.00 0.00 C ATOM 507 NE ARG A 37 -7.673 4.606 6.420 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.096 4.296 7.641 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.687 4.987 8.670 1.00 0.00 N ATOM 510 NH2 ARG A 37 -8.918 3.296 7.809 1.00 0.00 N ATOM 0 H ARG A 37 -7.723 5.301 1.031 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.162 5.723 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.220 6.731 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.803 5.088 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.551 4.488 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.137 6.190 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.062 5.798 7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.305 6.652 6.143 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.999 4.058 5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.042 5.766 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.012 4.748 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.234 2.755 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.244 3.056 8.745 1.00 0.00 H new ATOM 524 N VAL A 38 -4.870 3.256 2.522 1.00 0.00 N ATOM 525 CA VAL A 38 -4.679 1.815 2.463 1.00 0.00 C ATOM 526 C VAL A 38 -4.291 1.268 3.826 1.00 0.00 C ATOM 527 O VAL A 38 -3.413 1.810 4.494 1.00 0.00 O ATOM 528 CB VAL A 38 -3.598 1.466 1.442 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.537 -0.053 1.265 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.932 2.124 0.102 1.00 0.00 C ATOM 0 H VAL A 38 -4.024 3.797 2.698 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.621 1.360 2.158 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.633 1.830 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.766 -0.304 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.300 -0.521 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.502 -0.417 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.161 1.876 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.897 1.760 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.976 3.206 0.229 1.00 0.00 H new ATOM 540 N GLU A 39 -4.938 0.182 4.226 1.00 0.00 N ATOM 541 CA GLU A 39 -4.637 -0.434 5.508 1.00 0.00 C ATOM 542 C GLU A 39 -4.242 -1.885 5.301 1.00 0.00 C ATOM 543 O GLU A 39 -4.939 -2.637 4.619 1.00 0.00 O ATOM 544 CB GLU A 39 -5.858 -0.379 6.428 1.00 0.00 C ATOM 545 CG GLU A 39 -5.466 -0.891 7.817 1.00 0.00 C ATOM 546 CD GLU A 39 -6.715 -1.126 8.660 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.696 -1.601 8.111 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.672 -0.831 9.844 1.00 0.00 O ATOM 0 H GLU A 39 -5.667 -0.286 3.687 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.815 0.114 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.231 0.643 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.665 -0.986 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.900 -1.818 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.816 -0.168 8.310 1.00 0.00 H new ATOM 555 N TYR A 40 -3.129 -2.283 5.900 1.00 0.00 N ATOM 556 CA TYR A 40 -2.677 -3.655 5.771 1.00 0.00 C ATOM 557 C TYR A 40 -2.274 -4.218 7.125 1.00 0.00 C ATOM 558 O TYR A 40 -1.591 -3.561 7.911 1.00 0.00 O ATOM 559 CB TYR A 40 -1.505 -3.750 4.790 1.00 0.00 C ATOM 560 CG TYR A 40 -0.539 -2.618 5.029 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.928 -1.301 4.764 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.749 -2.886 5.506 1.00 0.00 C ATOM 563 CE1 TYR A 40 -0.030 -0.251 4.977 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.647 -1.835 5.718 1.00 0.00 C ATOM 565 CZ TYR A 40 1.257 -0.517 5.455 1.00 0.00 C ATOM 566 OH TYR A 40 2.144 0.520 5.663 1.00 0.00 O ATOM 0 H TYR A 40 -2.532 -1.684 6.471 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.505 -4.247 5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.995 -4.706 4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.874 -3.714 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.922 -1.095 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.049 -3.903 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.330 0.766 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.642 -2.041 6.085 1.00 0.00 H new ATOM 0 HH TYR A 40 2.993 0.162 5.998 1.00 0.00 H new ATOM 576 N GLU A 41 -2.705 -5.443 7.379 1.00 0.00 N ATOM 577 CA GLU A 41 -2.398 -6.117 8.629 1.00 0.00 C ATOM 578 C GLU A 41 -2.210 -7.604 8.364 1.00 0.00 C ATOM 579 O GLU A 41 -2.625 -8.109 7.323 1.00 0.00 O ATOM 580 CB GLU A 41 -3.530 -5.892 9.635 1.00 0.00 C ATOM 581 CG GLU A 41 -4.812 -6.541 9.115 1.00 0.00 C ATOM 582 CD GLU A 41 -6.015 -6.009 9.885 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.884 -4.961 10.497 1.00 0.00 O ATOM 584 OE2 GLU A 41 -7.048 -6.656 9.852 1.00 0.00 O ATOM 0 H GLU A 41 -3.271 -5.993 6.732 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.478 -5.710 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.261 -6.317 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.687 -4.824 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.929 -6.333 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.751 -7.624 9.223 1.00 0.00 H new ATOM 591 N LEU A 42 -1.570 -8.299 9.287 1.00 0.00 N ATOM 592 CA LEU A 42 -1.323 -9.724 9.104 1.00 0.00 C ATOM 593 C LEU A 42 -2.610 -10.530 9.228 1.00 0.00 C ATOM 594 O LEU A 42 -3.369 -10.374 10.184 1.00 0.00 O ATOM 595 CB LEU A 42 -0.308 -10.207 10.135 1.00 0.00 C ATOM 596 CG LEU A 42 1.023 -9.503 9.887 1.00 0.00 C ATOM 597 CD1 LEU A 42 1.913 -9.640 11.119 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.716 -10.146 8.685 1.00 0.00 C ATOM 0 H LEU A 42 -1.215 -7.910 10.160 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.926 -9.874 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.665 -9.995 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.182 -11.287 10.062 1.00 0.00 H new ATOM 0 HG LEU A 42 0.844 -8.446 9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.863 -9.136 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.418 -9.186 11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.094 -10.696 11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.668 -9.646 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.894 -11.202 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.081 -10.049 7.804 1.00 0.00 H new ATOM 610 N SER A 43 -2.838 -11.397 8.247 1.00 0.00 N ATOM 611 CA SER A 43 -4.026 -12.239 8.241 1.00 0.00 C ATOM 612 C SER A 43 -3.981 -13.209 9.413 1.00 0.00 C ATOM 613 O SER A 43 -5.013 -13.692 9.880 1.00 0.00 O ATOM 614 CB SER A 43 -4.090 -13.027 6.933 1.00 0.00 C ATOM 615 OG SER A 43 -3.134 -14.075 6.973 1.00 0.00 O ATOM 0 H SER A 43 -2.217 -11.534 7.449 1.00 0.00 H new ATOM 0 HA SER A 43 -4.910 -11.607 8.331 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.090 -13.436 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.891 -12.369 6.088 1.00 0.00 H new ATOM 0 HG SER A 43 -3.528 -14.861 7.405 1.00 0.00 H new ATOM 621 N GLU A 44 -2.770 -13.488 9.880 1.00 0.00 N ATOM 622 CA GLU A 44 -2.577 -14.404 10.996 1.00 0.00 C ATOM 623 C GLU A 44 -2.424 -13.629 12.298 1.00 0.00 C ATOM 624 O GLU A 44 -3.329 -13.594 13.131 1.00 0.00 O ATOM 625 CB GLU A 44 -1.316 -15.237 10.766 1.00 0.00 C ATOM 626 CG GLU A 44 -1.396 -15.931 9.406 1.00 0.00 C ATOM 627 CD GLU A 44 -2.682 -16.741 9.307 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.974 -17.469 10.240 1.00 0.00 O ATOM 629 OE2 GLU A 44 -3.359 -16.620 8.298 1.00 0.00 O ATOM 0 H GLU A 44 -1.908 -13.093 9.503 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.448 -15.055 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.434 -14.598 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.209 -15.979 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.362 -15.189 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.534 -16.584 9.271 1.00 0.00 H new ATOM 636 N GLU A 45 -1.263 -13.011 12.453 1.00 0.00 N ATOM 637 CA GLU A 45 -0.963 -12.233 13.637 1.00 0.00 C ATOM 638 C GLU A 45 -1.820 -10.978 13.674 1.00 0.00 C ATOM 639 O GLU A 45 -2.162 -10.417 12.634 1.00 0.00 O ATOM 640 CB GLU A 45 0.518 -11.864 13.633 1.00 0.00 C ATOM 641 CG GLU A 45 1.343 -13.143 13.772 1.00 0.00 C ATOM 642 CD GLU A 45 1.107 -13.762 15.146 1.00 0.00 C ATOM 643 OE1 GLU A 45 0.670 -13.043 16.031 1.00 0.00 O ATOM 644 OE2 GLU A 45 1.367 -14.945 15.296 1.00 0.00 O ATOM 0 H GLU A 45 -0.510 -13.036 11.765 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.186 -12.825 14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.776 -11.347 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.739 -11.181 14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.067 -13.852 12.991 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.402 -12.920 13.640 1.00 0.00 H new ATOM 651 N GLY A 46 -2.178 -10.547 14.870 1.00 0.00 N ATOM 652 CA GLY A 46 -3.005 -9.363 15.008 1.00 0.00 C ATOM 653 C GLY A 46 -2.150 -8.115 15.194 1.00 0.00 C ATOM 654 O GLY A 46 -2.584 -7.145 15.816 1.00 0.00 O ATOM 0 H GLY A 46 -1.913 -10.992 15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.633 -9.249 14.124 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.674 -9.480 15.861 1.00 0.00 H new ATOM 658 N ASP A 47 -0.938 -8.139 14.648 1.00 0.00 N ATOM 659 CA ASP A 47 -0.053 -6.987 14.764 1.00 0.00 C ATOM 660 C ASP A 47 -0.845 -5.710 14.558 1.00 0.00 C ATOM 661 O ASP A 47 -2.017 -5.750 14.186 1.00 0.00 O ATOM 662 CB ASP A 47 1.069 -7.060 13.729 1.00 0.00 C ATOM 663 CG ASP A 47 1.888 -5.773 13.757 1.00 0.00 C ATOM 664 OD1 ASP A 47 2.224 -5.330 14.843 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.174 -5.253 12.690 1.00 0.00 O ATOM 0 H ASP A 47 -0.552 -8.928 14.130 1.00 0.00 H new ATOM 0 HA ASP A 47 0.388 -6.991 15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.712 -7.915 13.937 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.649 -7.212 12.735 1.00 0.00 H new ATOM 670 N GLU A 48 -0.207 -4.578 14.808 1.00 0.00 N ATOM 671 CA GLU A 48 -0.885 -3.303 14.646 1.00 0.00 C ATOM 672 C GLU A 48 -1.062 -2.969 13.168 1.00 0.00 C ATOM 673 O GLU A 48 -0.129 -3.110 12.376 1.00 0.00 O ATOM 674 CB GLU A 48 -0.099 -2.182 15.325 1.00 0.00 C ATOM 675 CG GLU A 48 1.402 -2.399 15.120 1.00 0.00 C ATOM 676 CD GLU A 48 2.075 -2.757 16.443 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.572 -2.340 17.473 1.00 0.00 O ATOM 678 OE2 GLU A 48 3.086 -3.438 16.403 1.00 0.00 O ATOM 0 H GLU A 48 0.763 -4.515 15.119 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.866 -3.388 15.114 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.395 -1.217 14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.330 -2.158 16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.565 -3.196 14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.853 -1.496 14.708 1.00 0.00 H new ATOM 685 N PRO A 49 -2.229 -2.522 12.786 1.00 0.00 N ATOM 686 CA PRO A 49 -2.520 -2.151 11.374 1.00 0.00 C ATOM 687 C PRO A 49 -1.748 -0.901 10.964 1.00 0.00 C ATOM 688 O PRO A 49 -1.477 -0.032 11.791 1.00 0.00 O ATOM 689 CB PRO A 49 -4.030 -1.898 11.356 1.00 0.00 C ATOM 690 CG PRO A 49 -4.402 -1.587 12.768 1.00 0.00 C ATOM 691 CD PRO A 49 -3.395 -2.317 13.658 1.00 0.00 C ATOM 0 HA PRO A 49 -2.220 -2.927 10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.281 -1.070 10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.570 -2.772 10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.371 -0.513 12.949 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.419 -1.917 12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.137 -1.725 14.536 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.795 -3.265 14.018 1.00 0.00 H new ATOM 699 N GLN A 50 -1.395 -0.815 9.690 1.00 0.00 N ATOM 700 CA GLN A 50 -0.654 0.339 9.198 1.00 0.00 C ATOM 701 C GLN A 50 -1.459 1.046 8.117 1.00 0.00 C ATOM 702 O GLN A 50 -2.163 0.399 7.346 1.00 0.00 O ATOM 703 CB GLN A 50 0.696 -0.119 8.646 1.00 0.00 C ATOM 704 CG GLN A 50 1.444 -0.889 9.738 1.00 0.00 C ATOM 705 CD GLN A 50 2.086 -2.143 9.153 1.00 0.00 C ATOM 706 OE1 GLN A 50 2.927 -2.051 8.260 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.736 -3.315 9.606 1.00 0.00 N ATOM 0 H GLN A 50 -1.606 -1.521 8.985 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.482 1.038 10.016 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.550 -0.752 7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.282 0.741 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.210 -0.253 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.755 -1.163 10.537 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.038 -3.388 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.160 -4.158 9.220 1.00 0.00 H new ATOM 716 N TYR A 51 -1.375 2.373 8.075 1.00 0.00 N ATOM 717 CA TYR A 51 -2.137 3.128 7.085 1.00 0.00 C ATOM 718 C TYR A 51 -1.239 3.999 6.211 1.00 0.00 C ATOM 719 O TYR A 51 -0.287 4.615 6.689 1.00 0.00 O ATOM 720 CB TYR A 51 -3.152 4.036 7.783 1.00 0.00 C ATOM 721 CG TYR A 51 -4.004 3.235 8.737 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.151 2.581 8.274 1.00 0.00 C ATOM 723 CD2 TYR A 51 -3.651 3.159 10.090 1.00 0.00 C ATOM 724 CE1 TYR A 51 -5.947 1.849 9.165 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.444 2.426 10.980 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.592 1.772 10.517 1.00 0.00 C ATOM 727 OH TYR A 51 -6.376 1.052 11.395 1.00 0.00 O ATOM 0 H TYR A 51 -0.800 2.938 8.700 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.641 2.398 6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.631 4.825 8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.785 4.523 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.423 2.640 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.767 3.666 10.447 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.833 1.345 8.809 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.171 2.365 12.023 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.894 0.385 10.899 1.00 0.00 H new ATOM 737 N LEU A 52 -1.592 4.072 4.933 1.00 0.00 N ATOM 738 CA LEU A 52 -0.866 4.901 3.978 1.00 0.00 C ATOM 739 C LEU A 52 -1.862 5.795 3.252 1.00 0.00 C ATOM 740 O LEU A 52 -2.894 5.325 2.774 1.00 0.00 O ATOM 741 CB LEU A 52 -0.112 4.027 2.974 1.00 0.00 C ATOM 742 CG LEU A 52 0.965 3.223 3.705 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.546 2.171 2.759 1.00 0.00 C ATOM 744 CD2 LEU A 52 2.081 4.165 4.160 1.00 0.00 C ATOM 0 H LEU A 52 -2.381 3.564 4.533 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.136 5.513 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.805 3.353 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.344 4.650 2.204 1.00 0.00 H new ATOM 0 HG LEU A 52 0.525 2.731 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.313 1.598 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.753 1.500 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.987 2.664 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.849 3.594 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.520 4.655 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.670 4.918 4.832 1.00 0.00 H new ATOM 756 N ASP A 53 -1.566 7.085 3.187 1.00 0.00 N ATOM 757 CA ASP A 53 -2.475 8.015 2.532 1.00 0.00 C ATOM 758 C ASP A 53 -1.985 8.389 1.136 1.00 0.00 C ATOM 759 O ASP A 53 -0.811 8.701 0.938 1.00 0.00 O ATOM 760 CB ASP A 53 -2.631 9.275 3.375 1.00 0.00 C ATOM 761 CG ASP A 53 -3.150 8.915 4.763 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.570 7.783 4.942 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.121 9.777 5.626 1.00 0.00 O ATOM 0 H ASP A 53 -0.720 7.506 3.572 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.440 7.519 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.673 9.787 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.320 9.965 2.888 1.00 0.00 H new ATOM 768 N LEU A 54 -2.901 8.346 0.174 1.00 0.00 N ATOM 769 CA LEU A 54 -2.576 8.672 -1.211 1.00 0.00 C ATOM 770 C LEU A 54 -3.572 9.708 -1.741 1.00 0.00 C ATOM 771 O LEU A 54 -4.686 9.816 -1.232 1.00 0.00 O ATOM 772 CB LEU A 54 -2.663 7.404 -2.067 1.00 0.00 C ATOM 773 CG LEU A 54 -2.130 6.200 -1.284 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.564 4.911 -1.980 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.604 6.259 -1.231 1.00 0.00 C ATOM 0 H LEU A 54 -3.876 8.088 0.328 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.566 9.079 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.697 7.226 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.088 7.535 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.529 6.221 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.186 4.053 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.652 4.867 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.164 4.892 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.226 5.402 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.204 6.238 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.292 7.179 -0.737 1.00 0.00 H new ATOM 787 N PRO A 55 -3.200 10.462 -2.745 1.00 0.00 N ATOM 788 CA PRO A 55 -4.095 11.500 -3.335 1.00 0.00 C ATOM 789 C PRO A 55 -5.250 10.893 -4.132 1.00 0.00 C ATOM 790 O PRO A 55 -5.187 9.743 -4.561 1.00 0.00 O ATOM 791 CB PRO A 55 -3.175 12.317 -4.242 1.00 0.00 C ATOM 792 CG PRO A 55 -2.014 11.433 -4.557 1.00 0.00 C ATOM 793 CD PRO A 55 -1.894 10.415 -3.421 1.00 0.00 C ATOM 0 HA PRO A 55 -4.575 12.100 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.693 12.619 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.847 13.229 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.164 10.928 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.099 12.018 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.681 9.417 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.084 10.675 -2.739 1.00 0.00 H new ATOM 801 N SER A 56 -6.303 11.684 -4.322 1.00 0.00 N ATOM 802 CA SER A 56 -7.475 11.225 -5.065 1.00 0.00 C ATOM 803 C SER A 56 -7.104 10.841 -6.494 1.00 0.00 C ATOM 804 O SER A 56 -7.870 10.164 -7.180 1.00 0.00 O ATOM 805 CB SER A 56 -8.545 12.316 -5.095 1.00 0.00 C ATOM 806 OG SER A 56 -7.978 13.515 -5.605 1.00 0.00 O ATOM 0 H SER A 56 -6.370 12.641 -3.974 1.00 0.00 H new ATOM 0 HA SER A 56 -7.867 10.344 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.383 12.003 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.938 12.484 -4.092 1.00 0.00 H new ATOM 0 HG SER A 56 -8.662 14.217 -5.627 1.00 0.00 H new ATOM 812 N THR A 57 -5.933 11.278 -6.941 1.00 0.00 N ATOM 813 CA THR A 57 -5.489 10.967 -8.294 1.00 0.00 C ATOM 814 C THR A 57 -4.673 9.678 -8.311 1.00 0.00 C ATOM 815 O THR A 57 -4.338 9.161 -9.377 1.00 0.00 O ATOM 816 CB THR A 57 -4.645 12.120 -8.841 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.496 12.295 -8.024 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.478 13.403 -8.839 1.00 0.00 C ATOM 0 H THR A 57 -5.281 11.841 -6.395 1.00 0.00 H new ATOM 0 HA THR A 57 -6.368 10.830 -8.923 1.00 0.00 H new ATOM 0 HB THR A 57 -4.331 11.893 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.954 13.032 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.879 14.226 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.358 13.266 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.791 13.632 -7.820 1.00 0.00 H new ATOM 826 N ALA A 58 -4.365 9.157 -7.128 1.00 0.00 N ATOM 827 CA ALA A 58 -3.598 7.921 -7.031 1.00 0.00 C ATOM 828 C ALA A 58 -4.521 6.716 -7.169 1.00 0.00 C ATOM 829 O ALA A 58 -5.577 6.660 -6.538 1.00 0.00 O ATOM 830 CB ALA A 58 -2.869 7.860 -5.687 1.00 0.00 C ATOM 0 H ALA A 58 -4.631 9.566 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.865 7.902 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.299 6.933 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.191 8.709 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.597 7.894 -4.876 1.00 0.00 H new ATOM 836 N THR A 59 -4.121 5.750 -7.986 1.00 0.00 N ATOM 837 CA THR A 59 -4.929 4.552 -8.180 1.00 0.00 C ATOM 838 C THR A 59 -4.086 3.299 -7.979 1.00 0.00 C ATOM 839 O THR A 59 -4.523 2.191 -8.291 1.00 0.00 O ATOM 840 CB THR A 59 -5.538 4.545 -9.583 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.513 4.756 -10.545 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.590 5.653 -9.692 1.00 0.00 C ATOM 0 H THR A 59 -3.252 5.771 -8.520 1.00 0.00 H new ATOM 0 HA THR A 59 -5.731 4.558 -7.442 1.00 0.00 H new ATOM 0 HB THR A 59 -6.013 3.582 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.902 4.750 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.023 5.647 -10.692 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.375 5.483 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.121 6.619 -9.506 1.00 0.00 H new ATOM 850 N SER A 60 -2.879 3.475 -7.449 1.00 0.00 N ATOM 851 CA SER A 60 -1.992 2.344 -7.205 1.00 0.00 C ATOM 852 C SER A 60 -0.878 2.744 -6.249 1.00 0.00 C ATOM 853 O SER A 60 -0.397 3.878 -6.283 1.00 0.00 O ATOM 854 CB SER A 60 -1.393 1.849 -8.522 1.00 0.00 C ATOM 855 OG SER A 60 -0.546 2.855 -9.061 1.00 0.00 O ATOM 0 H SER A 60 -2.496 4.382 -7.183 1.00 0.00 H new ATOM 0 HA SER A 60 -2.572 1.539 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.827 0.932 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.188 1.609 -9.229 1.00 0.00 H new ATOM 0 HG SER A 60 -0.159 2.540 -9.904 1.00 0.00 H new ATOM 861 N VAL A 61 -0.477 1.814 -5.392 1.00 0.00 N ATOM 862 CA VAL A 61 0.575 2.097 -4.427 1.00 0.00 C ATOM 863 C VAL A 61 1.346 0.832 -4.066 1.00 0.00 C ATOM 864 O VAL A 61 0.782 -0.261 -4.021 1.00 0.00 O ATOM 865 CB VAL A 61 -0.035 2.677 -3.153 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.709 1.552 -2.365 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.066 3.310 -2.299 1.00 0.00 C ATOM 0 H VAL A 61 -0.859 0.869 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 61 1.260 2.813 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.771 3.438 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.147 1.958 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.492 1.100 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.031 0.795 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.629 3.724 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.803 2.552 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.551 4.106 -2.863 1.00 0.00 H new ATOM 877 N ASN A 62 2.629 0.998 -3.779 1.00 0.00 N ATOM 878 CA ASN A 62 3.464 -0.126 -3.385 1.00 0.00 C ATOM 879 C ASN A 62 3.636 -0.101 -1.870 1.00 0.00 C ATOM 880 O ASN A 62 4.028 0.918 -1.306 1.00 0.00 O ATOM 881 CB ASN A 62 4.834 -0.039 -4.059 1.00 0.00 C ATOM 882 CG ASN A 62 5.631 -1.308 -3.775 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.396 -2.344 -4.398 1.00 0.00 O ATOM 884 ND2 ASN A 62 6.561 -1.290 -2.859 1.00 0.00 N ATOM 0 H ASN A 62 3.112 1.896 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 62 2.986 -1.056 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.713 0.092 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.376 0.832 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.095 -2.135 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.754 -0.431 -2.345 1.00 0.00 H new ATOM 891 N ILE A 63 3.321 -1.214 -1.213 1.00 0.00 N ATOM 892 CA ILE A 63 3.432 -1.290 0.242 1.00 0.00 C ATOM 893 C ILE A 63 4.735 -1.972 0.654 1.00 0.00 C ATOM 894 O ILE A 63 4.863 -3.187 0.534 1.00 0.00 O ATOM 895 CB ILE A 63 2.246 -2.077 0.803 1.00 0.00 C ATOM 896 CG1 ILE A 63 0.959 -1.614 0.117 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.138 -1.833 2.308 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.249 -2.016 0.967 1.00 0.00 C ATOM 0 H ILE A 63 2.990 -2.069 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 63 3.430 -0.276 0.643 1.00 0.00 H new ATOM 0 HB ILE A 63 2.395 -3.141 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.977 -0.533 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.883 -2.060 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.293 -2.394 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.055 -2.162 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.989 -0.770 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.165 -1.685 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.269 -3.100 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.174 -1.549 1.949 1.00 0.00 H new ATOM 910 N PRO A 64 5.701 -1.225 1.134 1.00 0.00 N ATOM 911 CA PRO A 64 7.010 -1.775 1.566 1.00 0.00 C ATOM 912 C PRO A 64 7.026 -2.174 3.039 1.00 0.00 C ATOM 913 O PRO A 64 6.017 -2.078 3.737 1.00 0.00 O ATOM 914 CB PRO A 64 7.956 -0.606 1.315 1.00 0.00 C ATOM 915 CG PRO A 64 7.132 0.616 1.571 1.00 0.00 C ATOM 916 CD PRO A 64 5.666 0.234 1.322 1.00 0.00 C ATOM 0 HA PRO A 64 7.272 -2.690 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.820 -0.647 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.338 -0.619 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.270 0.966 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.435 1.430 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.033 0.512 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.266 0.740 0.443 1.00 0.00 H new ATOM 924 N ASP A 65 8.191 -2.609 3.494 1.00 0.00 N ATOM 925 CA ASP A 65 8.378 -3.018 4.882 1.00 0.00 C ATOM 926 C ASP A 65 7.393 -4.117 5.278 1.00 0.00 C ATOM 927 O ASP A 65 6.933 -4.167 6.419 1.00 0.00 O ATOM 928 CB ASP A 65 8.191 -1.810 5.804 1.00 0.00 C ATOM 929 CG ASP A 65 9.276 -0.775 5.531 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.231 -1.112 4.851 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.136 0.340 6.006 1.00 0.00 O ATOM 0 H ASP A 65 9.029 -2.689 2.918 1.00 0.00 H new ATOM 0 HA ASP A 65 9.389 -3.413 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.207 -1.369 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.233 -2.127 6.846 1.00 0.00 H new ATOM 936 N LEU A 66 7.095 -5.008 4.339 1.00 0.00 N ATOM 937 CA LEU A 66 6.188 -6.119 4.612 1.00 0.00 C ATOM 938 C LEU A 66 6.980 -7.322 5.116 1.00 0.00 C ATOM 939 O LEU A 66 8.074 -7.591 4.627 1.00 0.00 O ATOM 940 CB LEU A 66 5.417 -6.490 3.342 1.00 0.00 C ATOM 941 CG LEU A 66 4.587 -5.294 2.874 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.671 -5.730 1.730 1.00 0.00 C ATOM 943 CD2 LEU A 66 3.732 -4.778 4.035 1.00 0.00 C ATOM 0 H LEU A 66 7.465 -4.984 3.389 1.00 0.00 H new ATOM 0 HA LEU A 66 5.475 -5.817 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.112 -6.791 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.766 -7.343 3.536 1.00 0.00 H new ATOM 0 HG LEU A 66 5.253 -4.502 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.078 -4.879 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.275 -6.101 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.006 -6.521 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.141 -3.926 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.066 -5.570 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.380 -4.470 4.856 1.00 0.00 H new ATOM 955 N LEU A 67 6.432 -8.037 6.099 1.00 0.00 N ATOM 956 CA LEU A 67 7.109 -9.199 6.664 1.00 0.00 C ATOM 957 C LEU A 67 7.182 -10.348 5.657 1.00 0.00 C ATOM 958 O LEU A 67 6.159 -10.951 5.329 1.00 0.00 O ATOM 959 CB LEU A 67 6.349 -9.678 7.900 1.00 0.00 C ATOM 960 CG LEU A 67 6.553 -8.682 9.041 1.00 0.00 C ATOM 961 CD1 LEU A 67 5.572 -8.995 10.174 1.00 0.00 C ATOM 962 CD2 LEU A 67 7.987 -8.797 9.563 1.00 0.00 C ATOM 0 H LEU A 67 5.525 -7.831 6.517 1.00 0.00 H new ATOM 0 HA LEU A 67 8.124 -8.901 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.287 -9.774 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.702 -10.665 8.197 1.00 0.00 H new ATOM 0 HG LEU A 67 6.376 -7.670 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.717 -8.285 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.550 -8.917 9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.749 -10.007 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.136 -8.088 10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.161 -9.809 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.686 -8.576 8.757 1.00 0.00 H new ATOM 974 N PRO A 68 8.357 -10.679 5.176 1.00 0.00 N ATOM 975 CA PRO A 68 8.532 -11.799 4.207 1.00 0.00 C ATOM 976 C PRO A 68 8.012 -13.124 4.763 1.00 0.00 C ATOM 977 O PRO A 68 8.236 -13.445 5.930 1.00 0.00 O ATOM 978 CB PRO A 68 10.048 -11.879 3.985 1.00 0.00 C ATOM 979 CG PRO A 68 10.608 -10.581 4.459 1.00 0.00 C ATOM 980 CD PRO A 68 9.636 -10.026 5.496 1.00 0.00 C ATOM 0 HA PRO A 68 7.972 -11.621 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.479 -12.714 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.279 -12.041 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.597 -10.724 4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.724 -9.885 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.960 -10.259 6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.557 -8.941 5.428 1.00 0.00 H new ATOM 988 N GLY A 69 7.337 -13.897 3.917 1.00 0.00 N ATOM 989 CA GLY A 69 6.810 -15.195 4.331 1.00 0.00 C ATOM 990 C GLY A 69 5.557 -15.053 5.193 1.00 0.00 C ATOM 991 O GLY A 69 5.216 -15.962 5.950 1.00 0.00 O ATOM 0 H GLY A 69 7.143 -13.650 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.578 -15.791 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.575 -15.736 4.888 1.00 0.00 H new ATOM 995 N ARG A 70 4.874 -13.919 5.081 1.00 0.00 N ATOM 996 CA ARG A 70 3.664 -13.695 5.868 1.00 0.00 C ATOM 997 C ARG A 70 2.488 -13.308 4.986 1.00 0.00 C ATOM 998 O ARG A 70 2.665 -12.756 3.900 1.00 0.00 O ATOM 999 CB ARG A 70 3.901 -12.597 6.903 1.00 0.00 C ATOM 1000 CG ARG A 70 4.791 -13.133 8.017 1.00 0.00 C ATOM 1001 CD ARG A 70 3.950 -13.982 8.966 1.00 0.00 C ATOM 1002 NE ARG A 70 2.959 -13.152 9.635 1.00 0.00 N ATOM 1003 CZ ARG A 70 2.012 -13.691 10.390 1.00 0.00 C ATOM 1004 NH1 ARG A 70 1.970 -14.984 10.561 1.00 0.00 N ATOM 1005 NH2 ARG A 70 1.128 -12.927 10.966 1.00 0.00 N ATOM 0 H ARG A 70 5.131 -13.150 4.463 1.00 0.00 H new ATOM 0 HA ARG A 70 3.424 -14.631 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.370 -11.733 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.950 -12.258 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.601 -13.730 7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.252 -12.308 8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.454 -14.778 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.593 -14.461 9.705 1.00 0.00 H new ATOM 0 HE ARG A 70 2.994 -12.139 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.666 -15.580 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.241 -15.398 11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.165 -11.916 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.399 -13.340 11.547 1.00 0.00 H new ATOM 1019 N LYS A 71 1.280 -13.585 5.473 1.00 0.00 N ATOM 1020 CA LYS A 71 0.078 -13.240 4.738 1.00 0.00 C ATOM 1021 C LYS A 71 -0.517 -11.958 5.301 1.00 0.00 C ATOM 1022 O LYS A 71 -0.656 -11.804 6.514 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.946 -14.371 4.820 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.117 -14.052 3.891 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.158 -15.169 3.965 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.075 -15.084 2.744 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.061 -16.201 2.779 1.00 0.00 N ATOM 0 H LYS A 71 1.114 -14.045 6.368 1.00 0.00 H new ATOM 0 HA LYS A 71 0.340 -13.088 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.486 -15.317 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.299 -14.485 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.569 -13.102 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.761 -13.942 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.665 -16.140 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.742 -15.078 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.596 -14.126 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.485 -15.135 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.683 -16.141 1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.556 -17.110 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.633 -16.132 3.645 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.857 -11.040 4.414 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.428 -9.764 4.826 1.00 0.00 C ATOM 1043 C TYR A 72 -2.799 -9.534 4.205 1.00 0.00 C ATOM 1044 O TYR A 72 -3.094 -10.017 3.112 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.528 -8.616 4.379 1.00 0.00 C ATOM 1046 CG TYR A 72 0.668 -8.476 5.288 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.814 -9.252 5.076 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.633 -7.548 6.335 1.00 0.00 C ATOM 1049 CE1 TYR A 72 2.926 -9.100 5.917 1.00 0.00 C ATOM 1050 CE2 TYR A 72 1.743 -7.394 7.172 1.00 0.00 C ATOM 1051 CZ TYR A 72 2.890 -8.169 6.963 1.00 0.00 C ATOM 1052 OH TYR A 72 3.983 -8.014 7.789 1.00 0.00 O ATOM 0 H TYR A 72 -0.749 -11.151 3.406 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.518 -9.795 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.193 -8.790 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.096 -7.686 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.842 -9.966 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.252 -6.950 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.810 -9.700 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.715 -6.677 7.979 1.00 0.00 H new ATOM 0 HH TYR A 72 3.791 -7.327 8.461 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.605 -8.740 4.893 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.921 -8.376 4.401 1.00 0.00 C ATOM 1064 C ILE A 73 -4.859 -6.920 3.985 1.00 0.00 C ATOM 1065 O ILE A 73 -4.455 -6.067 4.767 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.973 -8.563 5.491 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.924 -10.003 5.993 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.361 -8.272 4.918 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.853 -10.151 7.198 1.00 0.00 C ATOM 0 H ILE A 73 -3.367 -8.335 5.798 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.200 -9.011 3.560 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.771 -7.879 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.227 -10.687 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.904 -10.269 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.112 -8.406 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.396 -7.246 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.566 -8.957 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.820 -11.179 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.530 -9.477 7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.873 -9.902 6.904 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.233 -6.642 2.754 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.177 -5.279 2.257 1.00 0.00 C ATOM 1083 C VAL A 74 -6.570 -4.743 1.977 1.00 0.00 C ATOM 1084 O VAL A 74 -7.395 -5.414 1.361 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.339 -5.232 0.978 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.196 -3.780 0.520 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.951 -5.822 1.256 1.00 0.00 C ATOM 0 H VAL A 74 -5.576 -7.331 2.084 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.717 -4.653 3.022 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.829 -5.813 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.599 -3.743 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.183 -3.361 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.703 -3.199 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.353 -5.789 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.458 -5.241 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.054 -6.856 1.585 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.818 -3.525 2.433 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.108 -2.890 2.227 1.00 0.00 C ATOM 1099 C ASN A 75 -7.907 -1.441 1.811 1.00 0.00 C ATOM 1100 O ASN A 75 -7.244 -0.673 2.508 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.925 -2.956 3.518 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.995 -4.397 4.007 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.746 -5.205 3.462 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.244 -4.769 5.007 1.00 0.00 N ATOM 0 H ASN A 75 -6.144 -2.958 2.947 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.647 -3.414 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.470 -2.324 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.930 -2.571 3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.278 -5.733 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.623 -4.096 5.456 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.476 -1.069 0.670 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.334 0.297 0.185 1.00 0.00 C ATOM 1113 C VAL A 76 -9.623 1.076 0.395 1.00 0.00 C ATOM 1114 O VAL A 76 -10.705 0.629 0.018 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.979 0.296 -1.301 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.692 1.730 -1.753 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.736 -0.568 -1.525 1.00 0.00 C ATOM 0 H VAL A 76 -9.031 -1.683 0.073 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.533 0.776 0.748 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.811 -0.108 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.438 1.733 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.576 2.347 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.857 2.132 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.481 -0.570 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.903 -0.162 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.938 -1.588 -1.198 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.492 2.252 0.992 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.644 3.103 1.244 1.00 0.00 C ATOM 1129 C TYR A 77 -10.449 4.446 0.566 1.00 0.00 C ATOM 1130 O TYR A 77 -9.368 5.026 0.629 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.806 3.341 2.745 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.875 2.024 3.474 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -9.696 1.405 3.905 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -12.115 1.427 3.730 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -9.756 0.188 4.593 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -12.175 0.210 4.417 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.996 -0.410 4.848 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.057 -1.611 5.526 1.00 0.00 O ATOM 0 H TYR A 77 -8.602 2.637 1.310 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.531 2.607 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.969 3.930 3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.711 3.918 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.740 1.867 3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -13.024 1.905 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.847 -0.290 4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -13.131 -0.252 4.615 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.993 -1.886 5.620 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.498 4.955 -0.053 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.406 6.252 -0.698 1.00 0.00 C ATOM 1150 C GLN A 78 -12.018 7.291 0.230 1.00 0.00 C ATOM 1151 O GLN A 78 -13.083 7.067 0.804 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.146 6.245 -2.037 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.624 6.570 -1.811 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.443 6.137 -3.021 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -15.479 5.488 -2.874 1.00 0.00 O ATOM 1156 NE2 GLN A 78 -14.036 6.458 -4.218 1.00 0.00 N ATOM 0 H GLN A 78 -12.408 4.500 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.361 6.489 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.702 6.976 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.047 5.270 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.984 6.061 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.748 7.640 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.178 6.996 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.576 6.171 -5.034 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.340 8.415 0.396 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.841 9.451 1.283 1.00 0.00 C ATOM 1167 C ILE A 79 -12.560 10.524 0.489 1.00 0.00 C ATOM 1168 O ILE A 79 -12.013 11.102 -0.449 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.690 10.071 2.075 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.937 8.959 2.803 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.245 11.065 3.097 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.782 9.552 3.610 1.00 0.00 C ATOM 0 H ILE A 79 -10.455 8.631 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.546 8.998 1.980 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.016 10.595 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.616 8.422 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.555 8.235 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.422 11.505 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.792 11.852 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.916 10.546 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.250 8.752 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.097 10.069 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.174 10.258 4.342 1.00 0.00 H new ATOM 1184 N SER A 80 -13.799 10.773 0.876 1.00 0.00 N ATOM 1185 CA SER A 80 -14.614 11.765 0.208 1.00 0.00 C ATOM 1186 C SER A 80 -14.304 13.158 0.740 1.00 0.00 C ATOM 1187 O SER A 80 -13.608 13.311 1.744 1.00 0.00 O ATOM 1188 CB SER A 80 -16.087 11.438 0.424 1.00 0.00 C ATOM 1189 OG SER A 80 -16.423 11.667 1.782 1.00 0.00 O ATOM 0 H SER A 80 -14.261 10.299 1.652 1.00 0.00 H new ATOM 0 HA SER A 80 -14.390 11.749 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.708 12.056 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.284 10.399 0.159 1.00 0.00 H new ATOM 0 HG SER A 80 -16.482 12.631 1.946 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.820 14.167 0.055 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.593 15.549 0.454 1.00 0.00 C ATOM 1197 C GLU A 81 -15.098 15.797 1.873 1.00 0.00 C ATOM 1198 O GLU A 81 -14.661 16.736 2.539 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.307 16.493 -0.516 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.687 16.359 -1.909 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.361 17.329 -2.874 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.328 17.954 -2.474 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.901 17.428 -3.999 1.00 0.00 O ATOM 0 H GLU A 81 -15.398 14.056 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.520 15.740 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.370 16.255 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.223 17.522 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.618 16.564 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.800 15.337 -2.270 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.023 14.958 2.331 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.576 15.116 3.672 1.00 0.00 C ATOM 1212 C ASP A 82 -15.819 14.260 4.690 1.00 0.00 C ATOM 1213 O ASP A 82 -16.135 14.278 5.879 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.054 14.723 3.673 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.191 13.227 3.434 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.211 12.529 3.627 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.273 12.800 3.068 1.00 0.00 O ATOM 0 H ASP A 82 -16.401 14.172 1.802 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.471 16.162 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.510 14.991 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.587 15.274 2.898 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.810 13.528 4.225 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.011 12.693 5.120 1.00 0.00 C ATOM 1224 C GLY A 83 -14.590 11.286 5.277 1.00 0.00 C ATOM 1225 O GLY A 83 -14.167 10.533 6.155 1.00 0.00 O ATOM 0 H GLY A 83 -14.528 13.495 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.993 12.623 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.950 13.169 6.099 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.542 10.927 4.423 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.143 9.597 4.490 1.00 0.00 C ATOM 1231 C GLU A 84 -15.280 8.578 3.749 1.00 0.00 C ATOM 1232 O GLU A 84 -14.671 8.894 2.726 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.552 9.619 3.895 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.510 10.296 4.876 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.665 9.439 6.128 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.312 8.273 6.072 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.136 9.962 7.125 1.00 0.00 O ATOM 0 H GLU A 84 -15.911 11.527 3.686 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.206 9.304 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.549 10.154 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.886 8.603 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.132 11.282 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.481 10.445 4.405 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.231 7.356 4.274 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.438 6.296 3.658 1.00 0.00 C ATOM 1246 C GLN A 85 -15.326 5.212 3.061 1.00 0.00 C ATOM 1247 O GLN A 85 -16.380 4.882 3.607 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.507 5.669 4.697 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.317 6.594 4.948 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.448 6.029 6.066 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.962 5.621 7.107 1.00 0.00 O ATOM 1252 NE2 GLN A 85 -10.154 5.976 5.909 1.00 0.00 N ATOM 0 H GLN A 85 -15.728 7.077 5.120 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.852 6.744 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.048 5.497 5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.157 4.698 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.729 6.700 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.670 7.590 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.731 6.315 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.565 5.596 6.650 1.00 0.00 H new ATOM 1261 N SER A 86 -14.881 4.652 1.942 1.00 0.00 N ATOM 1262 CA SER A 86 -15.623 3.592 1.273 1.00 0.00 C ATOM 1263 C SER A 86 -14.673 2.503 0.794 1.00 0.00 C ATOM 1264 O SER A 86 -13.653 2.792 0.169 1.00 0.00 O ATOM 1265 CB SER A 86 -16.384 4.158 0.078 1.00 0.00 C ATOM 1266 OG SER A 86 -16.973 3.091 -0.654 1.00 0.00 O ATOM 0 H SER A 86 -14.011 4.915 1.480 1.00 0.00 H new ATOM 0 HA SER A 86 -16.330 3.165 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.155 4.850 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.708 4.724 -0.563 1.00 0.00 H new ATOM 0 HG SER A 86 -17.464 3.453 -1.421 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.010 1.251 1.079 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.165 0.145 0.654 1.00 0.00 C ATOM 1274 C LEU A 87 -14.287 -0.052 -0.850 1.00 0.00 C ATOM 1275 O LEU A 87 -15.369 -0.340 -1.362 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.575 -1.143 1.370 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.579 -2.253 1.034 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.251 -1.979 1.740 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.138 -3.598 1.506 1.00 0.00 C ATOM 0 H LEU A 87 -15.848 0.980 1.594 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.131 0.380 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.604 -0.979 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.580 -1.437 1.066 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.418 -2.282 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.541 -2.771 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.852 -1.021 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.411 -1.950 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.429 -4.391 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.298 -3.567 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.085 -3.795 1.004 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.177 0.109 -1.556 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.188 -0.051 -3.001 1.00 0.00 C ATOM 1293 C ILE A 88 -12.445 -1.314 -3.411 1.00 0.00 C ATOM 1294 O ILE A 88 -12.702 -1.875 -4.477 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.534 1.162 -3.666 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.061 1.242 -3.250 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.254 2.438 -3.228 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.323 2.210 -4.174 1.00 0.00 C ATOM 0 H ILE A 88 -12.269 0.347 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.225 -0.133 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.603 1.060 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.982 1.578 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.604 0.254 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.787 3.301 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.302 2.384 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.188 2.540 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.275 2.267 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.391 1.855 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.775 3.199 -4.101 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.514 -1.751 -2.572 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.740 -2.946 -2.885 1.00 0.00 C ATOM 1312 C LEU A 89 -10.181 -3.604 -1.630 1.00 0.00 C ATOM 1313 O LEU A 89 -9.465 -2.977 -0.848 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.584 -2.586 -3.822 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.781 -3.848 -4.154 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.615 -4.767 -5.046 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.497 -3.459 -4.889 1.00 0.00 C ATOM 0 H LEU A 89 -11.279 -1.306 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.412 -3.654 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.970 -2.137 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.938 -1.845 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.530 -4.368 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.042 -5.664 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.530 -5.047 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.868 -4.246 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.926 -4.357 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.750 -2.937 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.899 -2.805 -4.255 1.00 0.00 H new ATOM 1329 N SER A 90 -10.489 -4.884 -1.466 1.00 0.00 N ATOM 1330 CA SER A 90 -9.995 -5.648 -0.330 1.00 0.00 C ATOM 1331 C SER A 90 -9.449 -6.982 -0.825 1.00 0.00 C ATOM 1332 O SER A 90 -10.184 -7.788 -1.395 1.00 0.00 O ATOM 1333 CB SER A 90 -11.117 -5.888 0.680 1.00 0.00 C ATOM 1334 OG SER A 90 -10.610 -6.641 1.774 1.00 0.00 O ATOM 0 H SER A 90 -11.079 -5.415 -2.107 1.00 0.00 H new ATOM 0 HA SER A 90 -9.202 -5.085 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.515 -4.936 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.940 -6.422 0.206 1.00 0.00 H new ATOM 0 HG SER A 90 -10.064 -6.061 2.345 1.00 0.00 H new ATOM 1340 N THR A 91 -8.157 -7.207 -0.621 1.00 0.00 N ATOM 1341 CA THR A 91 -7.536 -8.446 -1.072 1.00 0.00 C ATOM 1342 C THR A 91 -6.400 -8.848 -0.142 1.00 0.00 C ATOM 1343 O THR A 91 -5.787 -8.003 0.501 1.00 0.00 O ATOM 1344 CB THR A 91 -6.991 -8.262 -2.491 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.680 -9.533 -3.047 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.730 -7.397 -2.449 1.00 0.00 C ATOM 0 H THR A 91 -7.526 -6.557 -0.152 1.00 0.00 H new ATOM 0 HA THR A 91 -8.290 -9.233 -1.065 1.00 0.00 H new ATOM 0 HB THR A 91 -7.744 -7.771 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.333 -9.416 -3.956 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.344 -7.267 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.971 -6.422 -2.025 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.975 -7.884 -1.832 1.00 0.00 H new ATOM 1354 N SER A 92 -6.112 -10.142 -0.090 1.00 0.00 N ATOM 1355 CA SER A 92 -5.033 -10.634 0.755 1.00 0.00 C ATOM 1356 C SER A 92 -3.898 -11.164 -0.110 1.00 0.00 C ATOM 1357 O SER A 92 -4.123 -11.626 -1.229 1.00 0.00 O ATOM 1358 CB SER A 92 -5.545 -11.747 1.668 1.00 0.00 C ATOM 1359 OG SER A 92 -5.826 -12.902 0.889 1.00 0.00 O ATOM 0 H SER A 92 -6.605 -10.863 -0.617 1.00 0.00 H new ATOM 0 HA SER A 92 -4.665 -9.812 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.800 -11.980 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.444 -11.420 2.191 1.00 0.00 H new ATOM 0 HG SER A 92 -6.300 -13.560 1.439 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.680 -11.098 0.410 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.526 -11.579 -0.334 1.00 0.00 C ATOM 1367 C GLN A 93 -0.565 -12.322 0.575 1.00 0.00 C ATOM 1368 O GLN A 93 -0.519 -12.087 1.782 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.778 -10.415 -0.982 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.688 -9.681 -1.966 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.854 -8.708 -2.792 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -1.373 -8.053 -3.696 1.00 0.00 O ATOM 1373 NE2 GLN A 93 0.420 -8.578 -2.531 1.00 0.00 N ATOM 0 H GLN A 93 -2.467 -10.721 1.333 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.896 -12.255 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.430 -9.725 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.106 -10.786 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.188 -10.396 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.468 -9.143 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.845 -9.123 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.989 -7.931 -3.077 1.00 0.00 H new ATOM 1382 N THR A 94 0.217 -13.203 -0.025 1.00 0.00 N ATOM 1383 CA THR A 94 1.199 -13.965 0.718 1.00 0.00 C ATOM 1384 C THR A 94 2.594 -13.561 0.264 1.00 0.00 C ATOM 1385 O THR A 94 2.990 -13.830 -0.869 1.00 0.00 O ATOM 1386 CB THR A 94 0.981 -15.461 0.483 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.367 -15.685 0.095 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.275 -16.229 1.771 1.00 0.00 C ATOM 0 H THR A 94 0.189 -13.406 -1.024 1.00 0.00 H new ATOM 0 HA THR A 94 1.093 -13.760 1.783 1.00 0.00 H new ATOM 0 HB THR A 94 1.650 -15.807 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.509 -16.643 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.119 -17.295 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.309 -16.056 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.607 -15.885 2.560 1.00 0.00 H new ATOM 1396 N THR A 95 3.332 -12.901 1.148 1.00 0.00 N ATOM 1397 CA THR A 95 4.675 -12.454 0.812 1.00 0.00 C ATOM 1398 C THR A 95 5.531 -13.630 0.352 1.00 0.00 C ATOM 1399 O THR A 95 6.417 -14.018 1.097 1.00 0.00 O ATOM 1400 CB THR A 95 5.326 -11.793 2.027 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.047 -12.561 3.189 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.784 -10.373 2.209 1.00 0.00 C ATOM 1403 OXT THR A 95 5.289 -14.123 -0.737 1.00 0.00 O ATOM 0 H THR A 95 3.027 -12.666 2.092 1.00 0.00 H new ATOM 0 HA THR A 95 4.603 -11.730 0.000 1.00 0.00 H new ATOM 0 HB THR A 95 6.403 -11.743 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.215 -12.245 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.255 -9.912 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.005 -9.782 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.705 -10.412 2.359 1.00 0.00 H new TER 1411 THR A 95