USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 THR OG1 : rot 17:sc= 0.385 USER MOD Single : A 25 HIS : no HD1:sc= -0.0676 K(o=-0.068,f=-0.72) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 29 SER OG : rot -135:sc= -0.543 USER MOD Single : A 30 GLN : amide:sc= -2.07! K(o=-2.1!,f=-3) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.15 K(o=-3.1,f=-1.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 82 GLN : amide:sc= 0.0168 K(o=0.017,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.52 USER MOD Single : A 86 GLN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.136 K(o=0.14,f=-5.7!) USER MOD Single : A 100 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 58:sc= 0.0698 USER MOD Single : A 111 GLN : amide:sc= -0.0188 K(o=-0.019,f=-0.69) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc=-0.00978 K(o=-0.0098,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 6.562 -4.603 -3.525 1.00 13.14 N ATOM 2 CA THR A 22 6.814 -3.314 -4.156 1.00 10.23 C ATOM 3 C THR A 22 6.076 -3.198 -5.485 1.00 30.44 C ATOM 4 O THR A 22 6.680 -3.173 -6.557 1.00 73.33 O ATOM 5 CB THR A 22 8.319 -3.091 -4.396 1.00 40.13 C ATOM 6 OG1 THR A 22 9.075 -3.632 -3.307 1.00 73.42 O ATOM 7 CG2 THR A 22 8.629 -1.609 -4.548 1.00 62.43 C ATOM 0 HA THR A 22 6.445 -2.550 -3.472 1.00 10.23 H new ATOM 0 HB THR A 22 8.596 -3.601 -5.319 1.00 40.13 H new ATOM 0 HG1 THR A 22 8.516 -4.255 -2.798 1.00 73.42 H new ATOM 0 HG21 THR A 22 9.698 -1.476 -4.717 1.00 62.43 H new ATOM 0 HG22 THR A 22 8.075 -1.207 -5.396 1.00 62.43 H new ATOM 0 HG23 THR A 22 8.337 -1.081 -3.640 1.00 62.43 H new ATOM 15 N PRO A 23 4.738 -3.126 -5.415 1.00 45.42 N ATOM 16 CA PRO A 23 3.889 -3.010 -6.604 1.00 62.35 C ATOM 17 C PRO A 23 4.026 -1.652 -7.285 1.00 33.43 C ATOM 18 O PRO A 23 3.622 -0.620 -6.750 1.00 12.33 O ATOM 19 CB PRO A 23 2.474 -3.190 -6.049 1.00 23.22 C ATOM 20 CG PRO A 23 2.570 -2.767 -4.624 1.00 25.24 C ATOM 21 CD PRO A 23 3.952 -3.150 -4.170 1.00 42.23 C ATOM 0 HA PRO A 23 4.157 -3.739 -7.369 1.00 62.35 H new ATOM 0 HB2 PRO A 23 1.754 -2.581 -6.595 1.00 23.22 H new ATOM 0 HB3 PRO A 23 2.144 -4.226 -6.133 1.00 23.22 H new ATOM 0 HG2 PRO A 23 2.410 -1.693 -4.524 1.00 25.24 H new ATOM 0 HG3 PRO A 23 1.810 -3.260 -4.018 1.00 25.24 H new ATOM 0 HD2 PRO A 23 4.343 -2.447 -3.434 1.00 42.23 H new ATOM 0 HD3 PRO A 23 3.964 -4.136 -3.706 1.00 42.23 H new ATOM 29 N PRO A 24 4.608 -1.651 -8.493 1.00 52.21 N ATOM 30 CA PRO A 24 4.810 -0.426 -9.273 1.00 32.11 C ATOM 31 C PRO A 24 3.499 0.151 -9.795 1.00 53.34 C ATOM 32 O PRO A 24 3.295 1.366 -9.783 1.00 33.35 O ATOM 33 CB PRO A 24 5.692 -0.887 -10.436 1.00 30.33 C ATOM 34 CG PRO A 24 5.400 -2.341 -10.579 1.00 62.20 C ATOM 35 CD PRO A 24 5.113 -2.845 -9.191 1.00 41.35 C ATOM 0 HA PRO A 24 5.253 0.370 -8.674 1.00 32.11 H new ATOM 0 HB2 PRO A 24 5.456 -0.344 -11.351 1.00 30.33 H new ATOM 0 HB3 PRO A 24 6.747 -0.714 -10.225 1.00 30.33 H new ATOM 0 HG2 PRO A 24 4.547 -2.505 -11.238 1.00 62.20 H new ATOM 0 HG3 PRO A 24 6.247 -2.868 -11.018 1.00 62.20 H new ATOM 0 HD2 PRO A 24 4.376 -3.648 -9.199 1.00 41.35 H new ATOM 0 HD3 PRO A 24 6.009 -3.241 -8.714 1.00 41.35 H new ATOM 43 N HIS A 25 2.612 -0.726 -10.254 1.00 61.34 N ATOM 44 CA HIS A 25 1.319 -0.303 -10.781 1.00 3.04 C ATOM 45 C HIS A 25 0.395 -1.501 -10.979 1.00 40.51 C ATOM 46 O HIS A 25 0.810 -2.541 -11.490 1.00 61.24 O ATOM 47 CB HIS A 25 1.502 0.440 -12.104 1.00 62.14 C ATOM 48 CG HIS A 25 2.094 -0.406 -13.189 1.00 72.43 C ATOM 49 ND1 HIS A 25 1.336 -1.208 -14.017 1.00 14.52 N ATOM 50 CD2 HIS A 25 3.379 -0.572 -13.582 1.00 34.14 C ATOM 51 CE1 HIS A 25 2.129 -1.831 -14.870 1.00 14.21 C ATOM 52 NE2 HIS A 25 3.373 -1.462 -14.627 1.00 65.13 N ATOM 0 H HIS A 25 2.765 -1.734 -10.272 1.00 61.34 H new ATOM 0 HA HIS A 25 0.861 0.370 -10.056 1.00 3.04 H new ATOM 0 HB2 HIS A 25 0.535 0.818 -12.436 1.00 62.14 H new ATOM 0 HB3 HIS A 25 2.143 1.306 -11.939 1.00 62.14 H new ATOM 0 HD2 HIS A 25 4.247 -0.093 -13.153 1.00 34.14 H new ATOM 0 HE1 HIS A 25 1.813 -2.524 -15.636 1.00 14.21 H new ATOM 0 HE2 HIS A 25 4.197 -1.786 -15.134 1.00 65.13 H new ATOM 60 N THR A 26 -0.861 -1.347 -10.571 1.00 1.02 N ATOM 61 CA THR A 26 -1.843 -2.416 -10.702 1.00 12.52 C ATOM 62 C THR A 26 -2.759 -2.177 -11.897 1.00 63.21 C ATOM 63 O THR A 26 -3.949 -1.911 -11.735 1.00 0.12 O ATOM 64 CB THR A 26 -2.702 -2.548 -9.430 1.00 52.01 C ATOM 65 OG1 THR A 26 -3.057 -1.250 -8.941 1.00 2.30 O ATOM 66 CG2 THR A 26 -1.955 -3.316 -8.350 1.00 52.20 C ATOM 0 H THR A 26 -1.222 -0.492 -10.147 1.00 1.02 H new ATOM 0 HA THR A 26 -1.286 -3.341 -10.853 1.00 12.52 H new ATOM 0 HB THR A 26 -3.607 -3.099 -9.685 1.00 52.01 H new ATOM 0 HG1 THR A 26 -3.604 -1.343 -8.133 1.00 2.30 H new ATOM 0 HG21 THR A 26 -2.581 -3.396 -7.462 1.00 52.20 H new ATOM 0 HG22 THR A 26 -1.713 -4.314 -8.715 1.00 52.20 H new ATOM 0 HG23 THR A 26 -1.035 -2.788 -8.099 1.00 52.20 H new ATOM 74 N GLU A 27 -2.195 -2.276 -13.097 1.00 52.52 N ATOM 75 CA GLU A 27 -2.963 -2.070 -14.320 1.00 22.11 C ATOM 76 C GLU A 27 -3.495 -0.642 -14.395 1.00 2.22 C ATOM 77 O GLU A 27 -3.702 0.025 -13.380 1.00 65.53 O ATOM 78 CB GLU A 27 -4.125 -3.063 -14.392 1.00 24.20 C ATOM 79 CG GLU A 27 -3.706 -4.507 -14.171 1.00 1.01 C ATOM 80 CD GLU A 27 -4.568 -5.213 -13.143 1.00 22.45 C ATOM 81 OE1 GLU A 27 -5.747 -5.492 -13.446 1.00 4.30 O ATOM 82 OE2 GLU A 27 -4.062 -5.488 -12.034 1.00 34.11 O ATOM 0 H GLU A 27 -1.211 -2.497 -13.248 1.00 52.52 H new ATOM 0 HA GLU A 27 -2.299 -2.237 -15.168 1.00 22.11 H new ATOM 0 HB2 GLU A 27 -4.871 -2.791 -13.645 1.00 24.20 H new ATOM 0 HB3 GLU A 27 -4.605 -2.978 -15.367 1.00 24.20 H new ATOM 0 HG2 GLU A 27 -3.760 -5.046 -15.117 1.00 1.01 H new ATOM 0 HG3 GLU A 27 -2.665 -4.534 -13.848 1.00 1.01 H new ATOM 89 N PRO A 28 -3.722 -0.159 -15.626 1.00 24.15 N ATOM 90 CA PRO A 28 -4.232 1.194 -15.863 1.00 51.24 C ATOM 91 C PRO A 28 -5.685 1.351 -15.428 1.00 71.40 C ATOM 92 O PRO A 28 -6.373 0.365 -15.162 1.00 23.11 O ATOM 93 CB PRO A 28 -4.108 1.359 -17.380 1.00 63.22 C ATOM 94 CG PRO A 28 -4.155 -0.030 -17.917 1.00 31.10 C ATOM 95 CD PRO A 28 -3.498 -0.898 -16.880 1.00 5.34 C ATOM 0 HA PRO A 28 -3.682 1.942 -15.292 1.00 51.24 H new ATOM 0 HB2 PRO A 28 -4.920 1.966 -17.780 1.00 63.22 H new ATOM 0 HB3 PRO A 28 -3.176 1.856 -17.649 1.00 63.22 H new ATOM 0 HG2 PRO A 28 -5.183 -0.345 -18.095 1.00 31.10 H new ATOM 0 HG3 PRO A 28 -3.632 -0.097 -18.871 1.00 31.10 H new ATOM 0 HD2 PRO A 28 -3.944 -1.892 -16.846 1.00 5.34 H new ATOM 0 HD3 PRO A 28 -2.436 -1.033 -17.083 1.00 5.34 H new ATOM 103 N SER A 29 -6.147 2.595 -15.358 1.00 45.10 N ATOM 104 CA SER A 29 -7.518 2.880 -14.952 1.00 4.34 C ATOM 105 C SER A 29 -7.955 4.257 -15.444 1.00 30.51 C ATOM 106 O SER A 29 -7.560 5.280 -14.887 1.00 11.41 O ATOM 107 CB SER A 29 -7.646 2.806 -13.429 1.00 14.21 C ATOM 108 OG SER A 29 -6.802 1.802 -12.894 1.00 31.30 O ATOM 0 H SER A 29 -5.592 3.422 -15.577 1.00 45.10 H new ATOM 0 HA SER A 29 -8.168 2.129 -15.402 1.00 4.34 H new ATOM 0 HB2 SER A 29 -7.390 3.771 -12.992 1.00 14.21 H new ATOM 0 HB3 SER A 29 -8.681 2.598 -13.158 1.00 14.21 H new ATOM 0 HG SER A 29 -7.299 1.274 -12.235 1.00 31.30 H new ATOM 114 N GLN A 30 -8.773 4.271 -16.491 1.00 62.25 N ATOM 115 CA GLN A 30 -9.264 5.521 -17.060 1.00 23.32 C ATOM 116 C GLN A 30 -10.629 5.882 -16.483 1.00 63.13 C ATOM 117 O GLN A 30 -11.385 6.646 -17.083 1.00 72.32 O ATOM 118 CB GLN A 30 -9.353 5.413 -18.583 1.00 65.30 C ATOM 119 CG GLN A 30 -8.132 4.767 -19.219 1.00 73.04 C ATOM 120 CD GLN A 30 -8.094 4.949 -20.724 1.00 24.11 C ATOM 121 OE1 GLN A 30 -9.032 5.478 -21.321 1.00 64.52 O ATOM 122 NE2 GLN A 30 -7.005 4.511 -21.346 1.00 31.24 N ATOM 0 H GLN A 30 -9.110 3.432 -16.963 1.00 62.25 H new ATOM 0 HA GLN A 30 -8.559 6.311 -16.800 1.00 23.32 H new ATOM 0 HB2 GLN A 30 -10.239 4.835 -18.847 1.00 65.30 H new ATOM 0 HB3 GLN A 30 -9.486 6.410 -19.003 1.00 65.30 H new ATOM 0 HG2 GLN A 30 -7.230 5.195 -18.782 1.00 73.04 H new ATOM 0 HG3 GLN A 30 -8.125 3.702 -18.985 1.00 73.04 H new ATOM 0 HE21 GLN A 30 -6.251 4.079 -20.811 1.00 31.24 H new ATOM 0 HE22 GLN A 30 -6.922 4.607 -22.358 1.00 31.24 H new ATOM 131 N VAL A 31 -10.938 5.327 -15.315 1.00 40.35 N ATOM 132 CA VAL A 31 -12.212 5.591 -14.657 1.00 42.52 C ATOM 133 C VAL A 31 -12.024 5.795 -13.158 1.00 61.20 C ATOM 134 O VAL A 31 -11.198 5.133 -12.530 1.00 5.25 O ATOM 135 CB VAL A 31 -13.211 4.442 -14.887 1.00 53.30 C ATOM 136 CG1 VAL A 31 -13.393 4.182 -16.375 1.00 24.44 C ATOM 137 CG2 VAL A 31 -12.749 3.183 -14.169 1.00 51.31 C ATOM 0 H VAL A 31 -10.324 4.692 -14.805 1.00 40.35 H new ATOM 0 HA VAL A 31 -12.613 6.504 -15.097 1.00 42.52 H new ATOM 0 HB VAL A 31 -14.176 4.734 -14.474 1.00 53.30 H new ATOM 0 HG11 VAL A 31 -14.102 3.367 -16.518 1.00 24.44 H new ATOM 0 HG12 VAL A 31 -13.773 5.082 -16.858 1.00 24.44 H new ATOM 0 HG13 VAL A 31 -12.434 3.910 -16.817 1.00 24.44 H new ATOM 0 HG21 VAL A 31 -13.467 2.381 -14.342 1.00 51.31 H new ATOM 0 HG22 VAL A 31 -11.772 2.884 -14.550 1.00 51.31 H new ATOM 0 HG23 VAL A 31 -12.676 3.380 -13.099 1.00 51.31 H new ATOM 147 N VAL A 32 -12.797 6.715 -12.590 1.00 31.44 N ATOM 148 CA VAL A 32 -12.718 7.005 -11.163 1.00 24.30 C ATOM 149 C VAL A 32 -14.057 6.759 -10.477 1.00 4.23 C ATOM 150 O VAL A 32 -15.115 7.066 -11.028 1.00 23.50 O ATOM 151 CB VAL A 32 -12.283 8.460 -10.910 1.00 4.44 C ATOM 152 CG1 VAL A 32 -11.022 8.786 -11.697 1.00 15.12 C ATOM 153 CG2 VAL A 32 -13.407 9.422 -11.265 1.00 62.55 C ATOM 0 H VAL A 32 -13.485 7.272 -13.096 1.00 31.44 H new ATOM 0 HA VAL A 32 -11.970 6.332 -10.744 1.00 24.30 H new ATOM 0 HB VAL A 32 -12.060 8.574 -9.849 1.00 4.44 H new ATOM 0 HG11 VAL A 32 -10.730 9.819 -11.505 1.00 15.12 H new ATOM 0 HG12 VAL A 32 -10.218 8.118 -11.388 1.00 15.12 H new ATOM 0 HG13 VAL A 32 -11.214 8.655 -12.762 1.00 15.12 H new ATOM 0 HG21 VAL A 32 -13.082 10.446 -11.080 1.00 62.55 H new ATOM 0 HG22 VAL A 32 -13.665 9.308 -12.318 1.00 62.55 H new ATOM 0 HG23 VAL A 32 -14.281 9.203 -10.652 1.00 62.55 H new ATOM 163 N LEU A 33 -14.004 6.205 -9.271 1.00 0.25 N ATOM 164 CA LEU A 33 -15.213 5.918 -8.507 1.00 14.41 C ATOM 165 C LEU A 33 -15.362 6.887 -7.338 1.00 41.11 C ATOM 166 O LEU A 33 -14.509 6.940 -6.451 1.00 55.11 O ATOM 167 CB LEU A 33 -15.185 4.479 -7.990 1.00 62.25 C ATOM 168 CG LEU A 33 -15.985 4.207 -6.716 1.00 72.23 C ATOM 169 CD1 LEU A 33 -17.436 4.626 -6.897 1.00 62.14 C ATOM 170 CD2 LEU A 33 -15.897 2.736 -6.335 1.00 4.34 C ATOM 0 H LEU A 33 -13.137 5.945 -8.801 1.00 0.25 H new ATOM 0 HA LEU A 33 -16.069 6.043 -9.170 1.00 14.41 H new ATOM 0 HB2 LEU A 33 -15.560 3.824 -8.777 1.00 62.25 H new ATOM 0 HB3 LEU A 33 -14.147 4.199 -7.810 1.00 62.25 H new ATOM 0 HG LEU A 33 -15.555 4.798 -5.907 1.00 72.23 H new ATOM 0 HD11 LEU A 33 -17.990 4.425 -5.980 1.00 62.14 H new ATOM 0 HD12 LEU A 33 -17.482 5.692 -7.122 1.00 62.14 H new ATOM 0 HD13 LEU A 33 -17.878 4.062 -7.719 1.00 62.14 H new ATOM 0 HD21 LEU A 33 -16.472 2.561 -5.426 1.00 4.34 H new ATOM 0 HD22 LEU A 33 -16.301 2.126 -7.143 1.00 4.34 H new ATOM 0 HD23 LEU A 33 -14.855 2.466 -6.163 1.00 4.34 H new ATOM 182 N ILE A 34 -16.450 7.650 -7.343 1.00 31.41 N ATOM 183 CA ILE A 34 -16.711 8.614 -6.281 1.00 75.44 C ATOM 184 C ILE A 34 -17.827 8.129 -5.361 1.00 50.24 C ATOM 185 O ILE A 34 -18.753 7.443 -5.797 1.00 4.25 O ATOM 186 CB ILE A 34 -17.095 9.991 -6.854 1.00 11.03 C ATOM 187 CG1 ILE A 34 -18.347 9.875 -7.725 1.00 71.45 C ATOM 188 CG2 ILE A 34 -15.939 10.573 -7.653 1.00 2.21 C ATOM 189 CD1 ILE A 34 -18.050 9.836 -9.208 1.00 64.31 C ATOM 0 H ILE A 34 -17.165 7.619 -8.070 1.00 31.41 H new ATOM 0 HA ILE A 34 -15.788 8.712 -5.709 1.00 75.44 H new ATOM 0 HB ILE A 34 -17.314 10.664 -6.025 1.00 11.03 H new ATOM 0 HG12 ILE A 34 -18.890 8.972 -7.448 1.00 71.45 H new ATOM 0 HG13 ILE A 34 -19.004 10.719 -7.516 1.00 71.45 H new ATOM 0 HG21 ILE A 34 -16.226 11.546 -8.052 1.00 2.21 H new ATOM 0 HG22 ILE A 34 -15.070 10.688 -7.005 1.00 2.21 H new ATOM 0 HG23 ILE A 34 -15.692 9.903 -8.476 1.00 2.21 H new ATOM 0 HD11 ILE A 34 -18.984 9.753 -9.764 1.00 64.31 H new ATOM 0 HD12 ILE A 34 -17.534 10.751 -9.500 1.00 64.31 H new ATOM 0 HD13 ILE A 34 -17.418 8.976 -9.430 1.00 64.31 H new ATOM 201 N THR A 35 -17.734 8.492 -4.086 1.00 13.22 N ATOM 202 CA THR A 35 -18.735 8.096 -3.104 1.00 34.23 C ATOM 203 C THR A 35 -18.972 9.202 -2.082 1.00 5.11 C ATOM 204 O THR A 35 -18.435 10.302 -2.209 1.00 23.34 O ATOM 205 CB THR A 35 -18.319 6.810 -2.364 1.00 41.24 C ATOM 206 OG1 THR A 35 -17.184 7.070 -1.531 1.00 0.11 O ATOM 207 CG2 THR A 35 -17.986 5.702 -3.352 1.00 31.21 C ATOM 0 H THR A 35 -16.975 9.060 -3.709 1.00 13.22 H new ATOM 0 HA THR A 35 -19.658 7.909 -3.653 1.00 34.23 H new ATOM 0 HB THR A 35 -19.156 6.485 -1.746 1.00 41.24 H new ATOM 0 HG1 THR A 35 -16.927 6.248 -1.063 1.00 0.11 H new ATOM 0 HG21 THR A 35 -17.695 4.804 -2.807 1.00 31.21 H new ATOM 0 HG22 THR A 35 -18.861 5.487 -3.966 1.00 31.21 H new ATOM 0 HG23 THR A 35 -17.163 6.020 -3.992 1.00 31.21 H new ATOM 215 N ASN A 36 -19.778 8.903 -1.068 1.00 42.04 N ATOM 216 CA ASN A 36 -20.085 9.873 -0.024 1.00 3.51 C ATOM 217 C ASN A 36 -20.883 11.045 -0.587 1.00 41.25 C ATOM 218 O ASN A 36 -20.840 12.153 -0.052 1.00 45.32 O ATOM 219 CB ASN A 36 -18.795 10.384 0.622 1.00 41.02 C ATOM 220 CG ASN A 36 -18.842 10.321 2.136 1.00 31.32 C ATOM 221 OD1 ASN A 36 -19.704 10.933 2.768 1.00 64.14 O ATOM 222 ND2 ASN A 36 -17.913 9.578 2.726 1.00 31.34 N ATOM 0 H ASN A 36 -20.230 7.997 -0.948 1.00 42.04 H new ATOM 0 HA ASN A 36 -20.690 9.374 0.733 1.00 3.51 H new ATOM 0 HB2 ASN A 36 -17.953 9.793 0.263 1.00 41.02 H new ATOM 0 HB3 ASN A 36 -18.618 11.413 0.309 1.00 41.02 H new ATOM 0 HD21 ASN A 36 -17.894 9.497 3.743 1.00 31.34 H new ATOM 0 HD22 ASN A 36 -17.218 9.088 2.163 1.00 31.34 H new ATOM 229 N ILE A 37 -21.611 10.792 -1.670 1.00 22.12 N ATOM 230 CA ILE A 37 -22.420 11.825 -2.304 1.00 61.15 C ATOM 231 C ILE A 37 -23.877 11.730 -1.864 1.00 61.23 C ATOM 232 O ILE A 37 -24.436 10.639 -1.766 1.00 71.42 O ATOM 233 CB ILE A 37 -22.352 11.729 -3.840 1.00 70.11 C ATOM 234 CG1 ILE A 37 -22.708 10.314 -4.301 1.00 34.03 C ATOM 235 CG2 ILE A 37 -20.967 12.120 -4.334 1.00 73.35 C ATOM 236 CD1 ILE A 37 -22.887 10.193 -5.798 1.00 22.11 C ATOM 0 H ILE A 37 -21.657 9.881 -2.126 1.00 22.12 H new ATOM 0 HA ILE A 37 -22.010 12.785 -1.989 1.00 61.15 H new ATOM 0 HB ILE A 37 -23.078 12.422 -4.265 1.00 70.11 H new ATOM 0 HG12 ILE A 37 -21.924 9.628 -3.980 1.00 34.03 H new ATOM 0 HG13 ILE A 37 -23.627 10.000 -3.807 1.00 34.03 H new ATOM 0 HG21 ILE A 37 -20.934 12.047 -5.421 1.00 73.35 H new ATOM 0 HG22 ILE A 37 -20.749 13.144 -4.032 1.00 73.35 H new ATOM 0 HG23 ILE A 37 -20.224 11.449 -3.903 1.00 73.35 H new ATOM 0 HD11 ILE A 37 -23.138 9.163 -6.052 1.00 22.11 H new ATOM 0 HD12 ILE A 37 -23.691 10.853 -6.123 1.00 22.11 H new ATOM 0 HD13 ILE A 37 -21.961 10.475 -6.299 1.00 22.11 H new ATOM 248 N ASN A 38 -24.486 12.881 -1.602 1.00 54.51 N ATOM 249 CA ASN A 38 -25.880 12.929 -1.174 1.00 24.55 C ATOM 250 C ASN A 38 -26.821 12.822 -2.370 1.00 4.32 C ATOM 251 O ASN A 38 -26.731 13.586 -3.331 1.00 55.31 O ATOM 252 CB ASN A 38 -26.156 14.224 -0.407 1.00 24.52 C ATOM 253 CG ASN A 38 -26.585 13.967 1.025 1.00 54.42 C ATOM 254 OD1 ASN A 38 -25.925 13.234 1.761 1.00 75.21 O ATOM 255 ND2 ASN A 38 -27.697 14.573 1.426 1.00 72.22 N ATOM 0 H ASN A 38 -24.037 13.794 -1.678 1.00 54.51 H new ATOM 0 HA ASN A 38 -26.061 12.079 -0.516 1.00 24.55 H new ATOM 0 HB2 ASN A 38 -25.259 14.843 -0.409 1.00 24.52 H new ATOM 0 HB3 ASN A 38 -26.934 14.789 -0.921 1.00 24.52 H new ATOM 0 HD21 ASN A 38 -28.036 14.439 2.379 1.00 72.22 H new ATOM 0 HD22 ASN A 38 -28.212 15.172 0.781 1.00 72.22 H new ATOM 262 N PRO A 39 -27.745 11.853 -2.311 1.00 34.52 N ATOM 263 CA PRO A 39 -28.722 11.624 -3.380 1.00 63.30 C ATOM 264 C PRO A 39 -29.757 12.740 -3.469 1.00 5.12 C ATOM 265 O PRO A 39 -30.575 12.767 -4.387 1.00 15.32 O ATOM 266 CB PRO A 39 -29.389 10.307 -2.975 1.00 71.11 C ATOM 267 CG PRO A 39 -29.222 10.237 -1.496 1.00 74.24 C ATOM 268 CD PRO A 39 -27.909 10.905 -1.195 1.00 54.15 C ATOM 0 HA PRO A 39 -28.251 11.595 -4.363 1.00 63.30 H new ATOM 0 HB2 PRO A 39 -30.442 10.294 -3.256 1.00 71.11 H new ATOM 0 HB3 PRO A 39 -28.917 9.457 -3.467 1.00 71.11 H new ATOM 0 HG2 PRO A 39 -30.043 10.742 -0.986 1.00 74.24 H new ATOM 0 HG3 PRO A 39 -29.221 9.203 -1.152 1.00 74.24 H new ATOM 0 HD2 PRO A 39 -27.930 11.417 -0.233 1.00 54.15 H new ATOM 0 HD3 PRO A 39 -27.091 10.185 -1.156 1.00 54.15 H new ATOM 276 N GLU A 40 -29.713 13.659 -2.509 1.00 42.13 N ATOM 277 CA GLU A 40 -30.648 14.778 -2.480 1.00 61.45 C ATOM 278 C GLU A 40 -30.681 15.494 -3.828 1.00 32.24 C ATOM 279 O GLU A 40 -31.698 16.071 -4.211 1.00 54.43 O ATOM 280 CB GLU A 40 -30.264 15.764 -1.375 1.00 70.15 C ATOM 281 CG GLU A 40 -31.133 15.655 -0.134 1.00 0.32 C ATOM 282 CD GLU A 40 -31.505 17.009 0.439 1.00 45.54 C ATOM 283 OE1 GLU A 40 -30.587 17.818 0.692 1.00 63.21 O ATOM 284 OE2 GLU A 40 -32.712 17.261 0.633 1.00 21.14 O ATOM 0 H GLU A 40 -29.041 13.651 -1.742 1.00 42.13 H new ATOM 0 HA GLU A 40 -31.643 14.382 -2.274 1.00 61.45 H new ATOM 0 HB2 GLU A 40 -29.224 15.597 -1.096 1.00 70.15 H new ATOM 0 HB3 GLU A 40 -30.330 16.779 -1.766 1.00 70.15 H new ATOM 0 HG2 GLU A 40 -32.042 15.106 -0.379 1.00 0.32 H new ATOM 0 HG3 GLU A 40 -30.606 15.076 0.624 1.00 0.32 H new ATOM 291 N VAL A 41 -29.561 15.452 -4.541 1.00 65.13 N ATOM 292 CA VAL A 41 -29.460 16.096 -5.846 1.00 33.34 C ATOM 293 C VAL A 41 -29.786 15.117 -6.968 1.00 74.11 C ATOM 294 O VAL A 41 -29.307 13.983 -6.995 1.00 53.14 O ATOM 295 CB VAL A 41 -28.053 16.676 -6.078 1.00 42.23 C ATOM 296 CG1 VAL A 41 -26.999 15.586 -5.960 1.00 60.31 C ATOM 297 CG2 VAL A 41 -27.976 17.358 -7.436 1.00 10.42 C ATOM 0 H VAL A 41 -28.710 14.979 -4.237 1.00 65.13 H new ATOM 0 HA VAL A 41 -30.186 16.909 -5.855 1.00 33.34 H new ATOM 0 HB VAL A 41 -27.856 17.423 -5.309 1.00 42.23 H new ATOM 0 HG11 VAL A 41 -26.011 16.015 -6.127 1.00 60.31 H new ATOM 0 HG12 VAL A 41 -27.040 15.147 -4.963 1.00 60.31 H new ATOM 0 HG13 VAL A 41 -27.190 14.813 -6.705 1.00 60.31 H new ATOM 0 HG21 VAL A 41 -26.975 17.762 -7.584 1.00 10.42 H new ATOM 0 HG22 VAL A 41 -28.194 16.633 -8.220 1.00 10.42 H new ATOM 0 HG23 VAL A 41 -28.704 18.168 -7.478 1.00 10.42 H new ATOM 307 N PRO A 42 -30.621 15.563 -7.918 1.00 52.24 N ATOM 308 CA PRO A 42 -31.030 14.743 -9.062 1.00 64.43 C ATOM 309 C PRO A 42 -29.886 14.503 -10.042 1.00 3.22 C ATOM 310 O PRO A 42 -29.096 15.405 -10.323 1.00 53.13 O ATOM 311 CB PRO A 42 -32.132 15.576 -9.721 1.00 20.31 C ATOM 312 CG PRO A 42 -31.833 16.980 -9.325 1.00 1.40 C ATOM 313 CD PRO A 42 -31.230 16.904 -7.950 1.00 31.45 C ATOM 0 HA PRO A 42 -31.355 13.749 -8.755 1.00 64.43 H new ATOM 0 HB2 PRO A 42 -32.122 15.460 -10.805 1.00 20.31 H new ATOM 0 HB3 PRO A 42 -33.120 15.269 -9.377 1.00 20.31 H new ATOM 0 HG2 PRO A 42 -31.142 17.445 -10.029 1.00 1.40 H new ATOM 0 HG3 PRO A 42 -32.739 17.585 -9.321 1.00 1.40 H new ATOM 0 HD2 PRO A 42 -30.487 17.686 -7.793 1.00 31.45 H new ATOM 0 HD3 PRO A 42 -31.985 17.021 -7.173 1.00 31.45 H new ATOM 321 N LYS A 43 -29.802 13.282 -10.559 1.00 43.22 N ATOM 322 CA LYS A 43 -28.755 12.924 -11.509 1.00 74.43 C ATOM 323 C LYS A 43 -28.631 13.978 -12.605 1.00 22.51 C ATOM 324 O LYS A 43 -27.537 14.242 -13.102 1.00 62.53 O ATOM 325 CB LYS A 43 -29.050 11.557 -12.132 1.00 52.33 C ATOM 326 CG LYS A 43 -28.206 11.253 -13.357 1.00 63.55 C ATOM 327 CD LYS A 43 -29.015 11.377 -14.638 1.00 2.34 C ATOM 328 CE LYS A 43 -28.621 10.314 -15.652 1.00 12.24 C ATOM 329 NZ LYS A 43 -28.645 10.841 -17.044 1.00 65.44 N ATOM 0 H LYS A 43 -30.446 12.523 -10.336 1.00 43.22 H new ATOM 0 HA LYS A 43 -27.810 12.874 -10.969 1.00 74.43 H new ATOM 0 HB2 LYS A 43 -28.882 10.782 -11.384 1.00 52.33 H new ATOM 0 HB3 LYS A 43 -30.104 11.512 -12.407 1.00 52.33 H new ATOM 0 HG2 LYS A 43 -27.358 11.937 -13.394 1.00 63.55 H new ATOM 0 HG3 LYS A 43 -27.800 10.245 -13.279 1.00 63.55 H new ATOM 0 HD2 LYS A 43 -30.077 11.287 -14.409 1.00 2.34 H new ATOM 0 HD3 LYS A 43 -28.865 12.366 -15.070 1.00 2.34 H new ATOM 0 HE2 LYS A 43 -27.622 9.944 -15.421 1.00 12.24 H new ATOM 0 HE3 LYS A 43 -29.301 9.466 -15.573 1.00 12.24 H new ATOM 0 HZ1 LYS A 43 -28.371 10.087 -17.706 1.00 65.44 H new ATOM 0 HZ2 LYS A 43 -29.604 11.171 -17.274 1.00 65.44 H new ATOM 0 HZ3 LYS A 43 -27.977 11.634 -17.127 1.00 65.44 H new ATOM 343 N GLU A 44 -29.758 14.577 -12.974 1.00 75.24 N ATOM 344 CA GLU A 44 -29.774 15.602 -14.011 1.00 5.42 C ATOM 345 C GLU A 44 -28.727 16.677 -13.728 1.00 73.24 C ATOM 346 O GLU A 44 -27.870 16.961 -14.566 1.00 33.15 O ATOM 347 CB GLU A 44 -31.161 16.240 -14.109 1.00 32.32 C ATOM 348 CG GLU A 44 -31.630 16.460 -15.537 1.00 51.41 C ATOM 349 CD GLU A 44 -30.675 17.324 -16.338 1.00 0.01 C ATOM 350 OE1 GLU A 44 -30.418 18.472 -15.918 1.00 71.34 O ATOM 351 OE2 GLU A 44 -30.184 16.851 -17.384 1.00 51.25 O ATOM 0 H GLU A 44 -30.672 14.371 -12.571 1.00 75.24 H new ATOM 0 HA GLU A 44 -29.534 15.125 -14.961 1.00 5.42 H new ATOM 0 HB2 GLU A 44 -31.881 15.605 -13.593 1.00 32.32 H new ATOM 0 HB3 GLU A 44 -31.149 17.197 -13.588 1.00 32.32 H new ATOM 0 HG2 GLU A 44 -31.743 15.495 -16.031 1.00 51.41 H new ATOM 0 HG3 GLU A 44 -32.614 16.928 -15.524 1.00 51.41 H new ATOM 358 N LYS A 45 -28.804 17.272 -12.543 1.00 20.43 N ATOM 359 CA LYS A 45 -27.865 18.314 -12.147 1.00 43.41 C ATOM 360 C LYS A 45 -26.582 17.708 -11.587 1.00 35.54 C ATOM 361 O LYS A 45 -25.481 18.159 -11.901 1.00 45.04 O ATOM 362 CB LYS A 45 -28.503 19.236 -11.106 1.00 12.05 C ATOM 363 CG LYS A 45 -29.705 20.004 -11.628 1.00 42.21 C ATOM 364 CD LYS A 45 -30.344 20.848 -10.538 1.00 74.30 C ATOM 365 CE LYS A 45 -31.779 20.420 -10.272 1.00 35.51 C ATOM 366 NZ LYS A 45 -32.661 21.584 -9.981 1.00 41.12 N ATOM 0 H LYS A 45 -29.508 17.050 -11.839 1.00 20.43 H new ATOM 0 HA LYS A 45 -27.613 18.896 -13.033 1.00 43.41 H new ATOM 0 HB2 LYS A 45 -28.808 18.641 -10.245 1.00 12.05 H new ATOM 0 HB3 LYS A 45 -27.754 19.945 -10.754 1.00 12.05 H new ATOM 0 HG2 LYS A 45 -29.397 20.646 -12.453 1.00 42.21 H new ATOM 0 HG3 LYS A 45 -30.440 19.304 -12.026 1.00 42.21 H new ATOM 0 HD2 LYS A 45 -29.761 20.762 -9.621 1.00 74.30 H new ATOM 0 HD3 LYS A 45 -30.324 21.898 -10.831 1.00 74.30 H new ATOM 0 HE2 LYS A 45 -32.163 19.881 -11.138 1.00 35.51 H new ATOM 0 HE3 LYS A 45 -31.801 19.728 -9.430 1.00 35.51 H new ATOM 0 HZ1 LYS A 45 -33.630 21.250 -9.805 1.00 41.12 H new ATOM 0 HZ2 LYS A 45 -32.309 22.084 -9.140 1.00 41.12 H new ATOM 0 HZ3 LYS A 45 -32.660 22.232 -10.794 1.00 41.12 H new ATOM 380 N LEU A 46 -26.733 16.682 -10.756 1.00 62.31 N ATOM 381 CA LEU A 46 -25.586 16.011 -10.153 1.00 11.43 C ATOM 382 C LEU A 46 -24.580 15.589 -11.218 1.00 44.11 C ATOM 383 O LEU A 46 -23.383 15.844 -11.089 1.00 45.14 O ATOM 384 CB LEU A 46 -26.046 14.789 -9.356 1.00 40.12 C ATOM 385 CG LEU A 46 -25.212 13.520 -9.534 1.00 74.41 C ATOM 386 CD1 LEU A 46 -23.806 13.724 -8.993 1.00 41.32 C ATOM 387 CD2 LEU A 46 -25.884 12.340 -8.846 1.00 61.13 C ATOM 0 H LEU A 46 -27.638 16.297 -10.485 1.00 62.31 H new ATOM 0 HA LEU A 46 -25.098 16.714 -9.478 1.00 11.43 H new ATOM 0 HB2 LEU A 46 -26.051 15.051 -8.298 1.00 40.12 H new ATOM 0 HB3 LEU A 46 -27.076 14.565 -9.634 1.00 40.12 H new ATOM 0 HG LEU A 46 -25.140 13.302 -10.600 1.00 74.41 H new ATOM 0 HD11 LEU A 46 -23.228 12.810 -9.129 1.00 41.32 H new ATOM 0 HD12 LEU A 46 -23.324 14.541 -9.530 1.00 41.32 H new ATOM 0 HD13 LEU A 46 -23.856 13.967 -7.932 1.00 41.32 H new ATOM 0 HD21 LEU A 46 -25.277 11.445 -8.983 1.00 61.13 H new ATOM 0 HD22 LEU A 46 -25.986 12.550 -7.781 1.00 61.13 H new ATOM 0 HD23 LEU A 46 -26.871 12.179 -9.281 1.00 61.13 H new ATOM 399 N GLN A 47 -25.074 14.944 -12.270 1.00 13.52 N ATOM 400 CA GLN A 47 -24.218 14.489 -13.358 1.00 64.41 C ATOM 401 C GLN A 47 -23.569 15.670 -14.072 1.00 53.20 C ATOM 402 O GLN A 47 -22.359 15.685 -14.296 1.00 33.32 O ATOM 403 CB GLN A 47 -25.024 13.655 -14.355 1.00 52.14 C ATOM 404 CG GLN A 47 -24.192 13.107 -15.503 1.00 61.41 C ATOM 405 CD GLN A 47 -24.960 13.055 -16.809 1.00 15.32 C ATOM 406 OE1 GLN A 47 -25.369 14.087 -17.343 1.00 60.20 O ATOM 407 NE2 GLN A 47 -25.162 11.851 -17.331 1.00 23.02 N ATOM 0 H GLN A 47 -26.063 14.725 -12.391 1.00 13.52 H new ATOM 0 HA GLN A 47 -23.430 13.869 -12.931 1.00 64.41 H new ATOM 0 HB2 GLN A 47 -25.491 12.824 -13.827 1.00 52.14 H new ATOM 0 HB3 GLN A 47 -25.829 14.267 -14.761 1.00 52.14 H new ATOM 0 HG2 GLN A 47 -23.305 13.727 -15.632 1.00 61.41 H new ATOM 0 HG3 GLN A 47 -23.846 12.105 -15.250 1.00 61.41 H new ATOM 0 HE21 GLN A 47 -24.805 11.022 -16.855 1.00 23.02 H new ATOM 0 HE22 GLN A 47 -25.674 11.755 -18.208 1.00 23.02 H new ATOM 416 N ALA A 48 -24.383 16.659 -14.427 1.00 42.24 N ATOM 417 CA ALA A 48 -23.888 17.846 -15.115 1.00 30.35 C ATOM 418 C ALA A 48 -22.808 18.544 -14.295 1.00 41.14 C ATOM 419 O ALA A 48 -21.890 19.152 -14.849 1.00 35.04 O ATOM 420 CB ALA A 48 -25.034 18.803 -15.406 1.00 11.21 C ATOM 0 H ALA A 48 -25.387 16.662 -14.250 1.00 42.24 H new ATOM 0 HA ALA A 48 -23.444 17.531 -16.059 1.00 30.35 H new ATOM 0 HB1 ALA A 48 -24.650 19.685 -15.920 1.00 11.21 H new ATOM 0 HB2 ALA A 48 -25.771 18.307 -16.038 1.00 11.21 H new ATOM 0 HB3 ALA A 48 -25.503 19.104 -14.469 1.00 11.21 H new ATOM 426 N LEU A 49 -22.923 18.454 -12.975 1.00 43.30 N ATOM 427 CA LEU A 49 -21.956 19.079 -12.079 1.00 24.52 C ATOM 428 C LEU A 49 -20.628 18.328 -12.102 1.00 70.20 C ATOM 429 O LEU A 49 -19.566 18.928 -12.274 1.00 71.23 O ATOM 430 CB LEU A 49 -22.506 19.120 -10.652 1.00 41.41 C ATOM 431 CG LEU A 49 -22.704 20.512 -10.050 1.00 24.25 C ATOM 432 CD1 LEU A 49 -21.428 21.331 -10.169 1.00 52.41 C ATOM 433 CD2 LEU A 49 -23.864 21.226 -10.727 1.00 13.25 C ATOM 0 H LEU A 49 -23.676 17.955 -12.501 1.00 43.30 H new ATOM 0 HA LEU A 49 -21.783 20.098 -12.425 1.00 24.52 H new ATOM 0 HB2 LEU A 49 -23.464 18.600 -10.638 1.00 41.41 H new ATOM 0 HB3 LEU A 49 -21.830 18.560 -10.007 1.00 41.41 H new ATOM 0 HG LEU A 49 -22.941 20.399 -8.992 1.00 24.25 H new ATOM 0 HD11 LEU A 49 -21.588 22.318 -9.736 1.00 52.41 H new ATOM 0 HD12 LEU A 49 -20.621 20.827 -9.637 1.00 52.41 H new ATOM 0 HD13 LEU A 49 -21.159 21.435 -11.220 1.00 52.41 H new ATOM 0 HD21 LEU A 49 -23.990 22.215 -10.286 1.00 13.25 H new ATOM 0 HD22 LEU A 49 -23.657 21.328 -11.792 1.00 13.25 H new ATOM 0 HD23 LEU A 49 -24.778 20.648 -10.589 1.00 13.25 H new ATOM 445 N LEU A 50 -20.695 17.012 -11.930 1.00 12.32 N ATOM 446 CA LEU A 50 -19.498 16.178 -11.933 1.00 54.13 C ATOM 447 C LEU A 50 -18.694 16.386 -13.212 1.00 63.34 C ATOM 448 O LEU A 50 -17.473 16.224 -13.223 1.00 52.21 O ATOM 449 CB LEU A 50 -19.880 14.704 -11.791 1.00 32.30 C ATOM 450 CG LEU A 50 -20.531 14.304 -10.466 1.00 65.42 C ATOM 451 CD1 LEU A 50 -20.897 12.828 -10.476 1.00 34.21 C ATOM 452 CD2 LEU A 50 -19.603 14.617 -9.301 1.00 34.01 C ATOM 0 H LEU A 50 -21.565 16.500 -11.787 1.00 12.32 H new ATOM 0 HA LEU A 50 -18.879 16.470 -11.085 1.00 54.13 H new ATOM 0 HB2 LEU A 50 -20.563 14.447 -12.601 1.00 32.30 H new ATOM 0 HB3 LEU A 50 -18.982 14.102 -11.928 1.00 32.30 H new ATOM 0 HG LEU A 50 -21.446 14.884 -10.342 1.00 65.42 H new ATOM 0 HD11 LEU A 50 -21.359 12.561 -9.525 1.00 34.21 H new ATOM 0 HD12 LEU A 50 -21.598 12.632 -11.288 1.00 34.21 H new ATOM 0 HD13 LEU A 50 -19.997 12.231 -10.622 1.00 34.21 H new ATOM 0 HD21 LEU A 50 -20.082 14.326 -8.366 1.00 34.01 H new ATOM 0 HD22 LEU A 50 -18.671 14.064 -9.419 1.00 34.01 H new ATOM 0 HD23 LEU A 50 -19.390 15.686 -9.282 1.00 34.01 H new ATOM 464 N TYR A 51 -19.385 16.746 -14.288 1.00 1.32 N ATOM 465 CA TYR A 51 -18.735 16.976 -15.573 1.00 2.04 C ATOM 466 C TYR A 51 -17.950 18.284 -15.560 1.00 11.42 C ATOM 467 O TYR A 51 -16.803 18.337 -16.002 1.00 2.33 O ATOM 468 CB TYR A 51 -19.773 17.002 -16.696 1.00 21.13 C ATOM 469 CG TYR A 51 -19.173 16.875 -18.078 1.00 1.22 C ATOM 470 CD1 TYR A 51 -18.358 17.873 -18.597 1.00 44.11 C ATOM 471 CD2 TYR A 51 -19.421 15.757 -18.864 1.00 62.41 C ATOM 472 CE1 TYR A 51 -17.808 17.762 -19.860 1.00 31.34 C ATOM 473 CE2 TYR A 51 -18.874 15.636 -20.127 1.00 73.01 C ATOM 474 CZ TYR A 51 -18.069 16.641 -20.621 1.00 11.34 C ATOM 475 OH TYR A 51 -17.522 16.526 -21.878 1.00 75.11 O ATOM 0 H TYR A 51 -20.395 16.885 -14.296 1.00 1.32 H new ATOM 0 HA TYR A 51 -18.038 16.157 -15.751 1.00 2.04 H new ATOM 0 HB2 TYR A 51 -20.484 16.190 -16.542 1.00 21.13 H new ATOM 0 HB3 TYR A 51 -20.336 17.934 -16.638 1.00 21.13 H new ATOM 0 HD1 TYR A 51 -18.151 18.751 -18.003 1.00 44.11 H new ATOM 0 HD2 TYR A 51 -20.052 14.969 -18.481 1.00 62.41 H new ATOM 0 HE1 TYR A 51 -17.178 18.548 -20.249 1.00 31.34 H new ATOM 0 HE2 TYR A 51 -19.076 14.759 -20.724 1.00 73.01 H new ATOM 0 HH TYR A 51 -17.802 15.678 -22.280 1.00 75.11 H new ATOM 485 N ALA A 52 -18.578 19.338 -15.049 1.00 52.41 N ATOM 486 CA ALA A 52 -17.939 20.646 -14.975 1.00 54.54 C ATOM 487 C ALA A 52 -16.566 20.551 -14.319 1.00 34.33 C ATOM 488 O ALA A 52 -15.564 20.987 -14.886 1.00 22.02 O ATOM 489 CB ALA A 52 -18.824 21.623 -14.215 1.00 5.44 C ATOM 0 H ALA A 52 -19.529 19.311 -14.680 1.00 52.41 H new ATOM 0 HA ALA A 52 -17.801 21.013 -15.992 1.00 54.54 H new ATOM 0 HB1 ALA A 52 -18.335 22.596 -14.167 1.00 5.44 H new ATOM 0 HB2 ALA A 52 -19.780 21.723 -14.728 1.00 5.44 H new ATOM 0 HB3 ALA A 52 -18.992 21.251 -13.204 1.00 5.44 H new ATOM 495 N LEU A 53 -16.528 19.978 -13.121 1.00 3.55 N ATOM 496 CA LEU A 53 -15.277 19.826 -12.386 1.00 23.04 C ATOM 497 C LEU A 53 -14.311 18.915 -13.137 1.00 51.53 C ATOM 498 O LEU A 53 -13.118 19.203 -13.233 1.00 14.12 O ATOM 499 CB LEU A 53 -15.548 19.260 -10.990 1.00 43.24 C ATOM 500 CG LEU A 53 -16.626 19.974 -10.174 1.00 42.34 C ATOM 501 CD1 LEU A 53 -16.996 19.156 -8.948 1.00 35.54 C ATOM 502 CD2 LEU A 53 -16.155 21.363 -9.769 1.00 11.34 C ATOM 0 H LEU A 53 -17.348 19.611 -12.638 1.00 3.55 H new ATOM 0 HA LEU A 53 -14.819 20.810 -12.290 1.00 23.04 H new ATOM 0 HB2 LEU A 53 -15.833 18.213 -11.093 1.00 43.24 H new ATOM 0 HB3 LEU A 53 -14.617 19.283 -10.424 1.00 43.24 H new ATOM 0 HG LEU A 53 -17.515 20.081 -10.796 1.00 42.34 H new ATOM 0 HD11 LEU A 53 -17.764 19.680 -8.379 1.00 35.54 H new ATOM 0 HD12 LEU A 53 -17.376 18.183 -9.261 1.00 35.54 H new ATOM 0 HD13 LEU A 53 -16.114 19.017 -8.323 1.00 35.54 H new ATOM 0 HD21 LEU A 53 -16.935 21.857 -9.189 1.00 11.34 H new ATOM 0 HD22 LEU A 53 -15.251 21.279 -9.165 1.00 11.34 H new ATOM 0 HD23 LEU A 53 -15.941 21.950 -10.662 1.00 11.34 H new ATOM 514 N ALA A 54 -14.836 17.817 -13.671 1.00 5.11 N ATOM 515 CA ALA A 54 -14.021 16.867 -14.418 1.00 30.31 C ATOM 516 C ALA A 54 -13.301 17.551 -15.575 1.00 11.21 C ATOM 517 O ALA A 54 -12.080 17.458 -15.701 1.00 11.33 O ATOM 518 CB ALA A 54 -14.883 15.723 -14.932 1.00 43.24 C ATOM 0 H ALA A 54 -15.821 17.564 -13.600 1.00 5.11 H new ATOM 0 HA ALA A 54 -13.266 16.464 -13.743 1.00 30.31 H new ATOM 0 HB1 ALA A 54 -14.262 15.021 -15.488 1.00 43.24 H new ATOM 0 HB2 ALA A 54 -15.346 15.209 -14.089 1.00 43.24 H new ATOM 0 HB3 ALA A 54 -15.659 16.118 -15.587 1.00 43.24 H new ATOM 524 N SER A 55 -14.065 18.238 -16.418 1.00 74.11 N ATOM 525 CA SER A 55 -13.500 18.934 -17.568 1.00 14.41 C ATOM 526 C SER A 55 -12.456 19.955 -17.126 1.00 23.54 C ATOM 527 O SER A 55 -11.496 20.228 -17.846 1.00 4.34 O ATOM 528 CB SER A 55 -14.606 19.632 -18.362 1.00 73.35 C ATOM 529 OG SER A 55 -14.072 20.337 -19.469 1.00 42.40 O ATOM 0 H SER A 55 -15.077 18.328 -16.326 1.00 74.11 H new ATOM 0 HA SER A 55 -13.014 18.195 -18.206 1.00 14.41 H new ATOM 0 HB2 SER A 55 -15.328 18.894 -18.711 1.00 73.35 H new ATOM 0 HB3 SER A 55 -15.144 20.322 -17.712 1.00 73.35 H new ATOM 0 HG SER A 55 -14.799 20.773 -19.961 1.00 42.40 H new ATOM 535 N SER A 56 -12.651 20.514 -15.936 1.00 1.02 N ATOM 536 CA SER A 56 -11.729 21.507 -15.398 1.00 4.15 C ATOM 537 C SER A 56 -10.314 20.943 -15.309 1.00 42.13 C ATOM 538 O SER A 56 -9.336 21.691 -15.301 1.00 73.41 O ATOM 539 CB SER A 56 -12.193 21.969 -14.015 1.00 20.21 C ATOM 540 OG SER A 56 -12.216 23.383 -13.930 1.00 44.24 O ATOM 0 H SER A 56 -13.439 20.296 -15.326 1.00 1.02 H new ATOM 0 HA SER A 56 -11.720 22.361 -16.075 1.00 4.15 H new ATOM 0 HB2 SER A 56 -13.188 21.573 -13.811 1.00 20.21 H new ATOM 0 HB3 SER A 56 -11.527 21.567 -13.252 1.00 20.21 H new ATOM 0 HG SER A 56 -12.517 23.652 -13.037 1.00 44.24 H new ATOM 546 N GLN A 57 -10.214 19.619 -15.243 1.00 54.34 N ATOM 547 CA GLN A 57 -8.920 18.955 -15.155 1.00 24.51 C ATOM 548 C GLN A 57 -8.613 18.187 -16.436 1.00 73.54 C ATOM 549 O GLN A 57 -7.794 18.615 -17.248 1.00 30.00 O ATOM 550 CB GLN A 57 -8.892 18.003 -13.957 1.00 41.32 C ATOM 551 CG GLN A 57 -8.994 18.711 -12.616 1.00 0.03 C ATOM 552 CD GLN A 57 -7.644 19.149 -12.083 1.00 30.03 C ATOM 553 OE1 GLN A 57 -7.453 20.311 -11.722 1.00 33.31 O ATOM 554 NE2 GLN A 57 -6.698 18.219 -12.030 1.00 61.31 N ATOM 0 H GLN A 57 -11.014 18.986 -15.249 1.00 54.34 H new ATOM 0 HA GLN A 57 -8.156 19.721 -15.020 1.00 24.51 H new ATOM 0 HB2 GLN A 57 -9.715 17.294 -14.048 1.00 41.32 H new ATOM 0 HB3 GLN A 57 -7.968 17.425 -13.984 1.00 41.32 H new ATOM 0 HG2 GLN A 57 -9.640 19.583 -12.718 1.00 0.03 H new ATOM 0 HG3 GLN A 57 -9.467 18.046 -11.893 1.00 0.03 H new ATOM 0 HE21 GLN A 57 -6.900 17.268 -12.339 1.00 61.31 H new ATOM 0 HE22 GLN A 57 -5.770 18.455 -11.680 1.00 61.31 H new ATOM 563 N GLY A 58 -9.277 17.048 -16.612 1.00 35.15 N ATOM 564 CA GLY A 58 -9.062 16.238 -17.796 1.00 42.03 C ATOM 565 C GLY A 58 -10.330 16.042 -18.603 1.00 20.50 C ATOM 566 O GLY A 58 -11.416 16.425 -18.168 1.00 40.33 O ATOM 0 H GLY A 58 -9.960 16.672 -15.955 1.00 35.15 H new ATOM 0 HA2 GLY A 58 -8.306 16.710 -18.423 1.00 42.03 H new ATOM 0 HA3 GLY A 58 -8.669 15.265 -17.500 1.00 42.03 H new ATOM 570 N ASP A 59 -10.193 15.444 -19.781 1.00 62.14 N ATOM 571 CA ASP A 59 -11.337 15.198 -20.652 1.00 21.34 C ATOM 572 C ASP A 59 -12.176 14.035 -20.130 1.00 42.14 C ATOM 573 O ASP A 59 -11.649 13.096 -19.533 1.00 71.23 O ATOM 574 CB ASP A 59 -10.867 14.905 -22.077 1.00 64.22 C ATOM 575 CG ASP A 59 -11.153 16.050 -23.028 1.00 55.03 C ATOM 576 OD1 ASP A 59 -10.386 17.036 -23.019 1.00 74.21 O ATOM 577 OD2 ASP A 59 -12.145 15.960 -23.783 1.00 5.35 O ATOM 0 H ASP A 59 -9.301 15.120 -20.155 1.00 62.14 H new ATOM 0 HA ASP A 59 -11.956 16.095 -20.660 1.00 21.34 H new ATOM 0 HB2 ASP A 59 -9.796 14.702 -22.069 1.00 64.22 H new ATOM 0 HB3 ASP A 59 -11.359 14.003 -22.441 1.00 64.22 H new ATOM 582 N ILE A 60 -13.483 14.106 -20.359 1.00 63.15 N ATOM 583 CA ILE A 60 -14.394 13.059 -19.913 1.00 43.40 C ATOM 584 C ILE A 60 -14.938 12.264 -21.094 1.00 71.44 C ATOM 585 O ILE A 60 -15.370 12.836 -22.096 1.00 62.53 O ATOM 586 CB ILE A 60 -15.574 13.643 -19.114 1.00 50.54 C ATOM 587 CG1 ILE A 60 -15.060 14.463 -17.929 1.00 52.32 C ATOM 588 CG2 ILE A 60 -16.493 12.529 -18.636 1.00 41.21 C ATOM 589 CD1 ILE A 60 -15.003 15.950 -18.202 1.00 51.03 C ATOM 0 H ILE A 60 -13.935 14.877 -20.851 1.00 63.15 H new ATOM 0 HA ILE A 60 -13.820 12.396 -19.266 1.00 43.40 H new ATOM 0 HB ILE A 60 -16.145 14.303 -19.767 1.00 50.54 H new ATOM 0 HG12 ILE A 60 -15.704 14.284 -17.068 1.00 52.32 H new ATOM 0 HG13 ILE A 60 -14.063 14.113 -17.660 1.00 52.32 H new ATOM 0 HG21 ILE A 60 -17.322 12.958 -18.073 1.00 41.21 H new ATOM 0 HG22 ILE A 60 -16.882 11.984 -19.496 1.00 41.21 H new ATOM 0 HG23 ILE A 60 -15.934 11.846 -17.996 1.00 41.21 H new ATOM 0 HD11 ILE A 60 -14.630 16.468 -17.319 1.00 51.03 H new ATOM 0 HD12 ILE A 60 -14.336 16.140 -19.043 1.00 51.03 H new ATOM 0 HD13 ILE A 60 -16.002 16.315 -18.441 1.00 51.03 H new ATOM 601 N LEU A 61 -14.917 10.941 -20.970 1.00 5.20 N ATOM 602 CA LEU A 61 -15.410 10.065 -22.027 1.00 0.10 C ATOM 603 C LEU A 61 -16.833 9.603 -21.731 1.00 53.33 C ATOM 604 O LEU A 61 -17.595 9.284 -22.644 1.00 52.11 O ATOM 605 CB LEU A 61 -14.490 8.853 -22.182 1.00 72.25 C ATOM 606 CG LEU A 61 -12.994 9.120 -22.016 1.00 21.35 C ATOM 607 CD1 LEU A 61 -12.190 7.866 -22.324 1.00 53.14 C ATOM 608 CD2 LEU A 61 -12.555 10.271 -22.909 1.00 25.32 C ATOM 0 H LEU A 61 -14.564 10.452 -20.148 1.00 5.20 H new ATOM 0 HA LEU A 61 -15.417 10.629 -22.959 1.00 0.10 H new ATOM 0 HB2 LEU A 61 -14.788 8.101 -21.452 1.00 72.25 H new ATOM 0 HB3 LEU A 61 -14.654 8.421 -23.169 1.00 72.25 H new ATOM 0 HG LEU A 61 -12.808 9.400 -20.979 1.00 21.35 H new ATOM 0 HD11 LEU A 61 -11.127 8.076 -22.200 1.00 53.14 H new ATOM 0 HD12 LEU A 61 -12.484 7.068 -21.642 1.00 53.14 H new ATOM 0 HD13 LEU A 61 -12.381 7.554 -23.351 1.00 53.14 H new ATOM 0 HD21 LEU A 61 -11.487 10.447 -22.778 1.00 25.32 H new ATOM 0 HD22 LEU A 61 -12.756 10.020 -23.951 1.00 25.32 H new ATOM 0 HD23 LEU A 61 -13.107 11.172 -22.639 1.00 25.32 H new ATOM 620 N ASP A 62 -17.186 9.572 -20.451 1.00 4.42 N ATOM 621 CA ASP A 62 -18.519 9.153 -20.035 1.00 22.05 C ATOM 622 C ASP A 62 -18.657 9.210 -18.516 1.00 52.24 C ATOM 623 O ASP A 62 -17.866 8.611 -17.788 1.00 65.53 O ATOM 624 CB ASP A 62 -18.810 7.736 -20.533 1.00 1.54 C ATOM 625 CG ASP A 62 -20.145 7.636 -21.244 1.00 63.13 C ATOM 626 OD1 ASP A 62 -21.188 7.728 -20.564 1.00 44.32 O ATOM 627 OD2 ASP A 62 -20.146 7.464 -22.481 1.00 74.15 O ATOM 0 H ASP A 62 -16.567 9.832 -19.683 1.00 4.42 H new ATOM 0 HA ASP A 62 -19.243 9.840 -20.474 1.00 22.05 H new ATOM 0 HB2 ASP A 62 -18.016 7.422 -21.211 1.00 1.54 H new ATOM 0 HB3 ASP A 62 -18.799 7.047 -19.688 1.00 1.54 H new ATOM 632 N ILE A 63 -19.666 9.935 -18.046 1.00 53.53 N ATOM 633 CA ILE A 63 -19.908 10.071 -16.615 1.00 63.42 C ATOM 634 C ILE A 63 -21.092 9.217 -16.174 1.00 62.14 C ATOM 635 O ILE A 63 -22.237 9.490 -16.535 1.00 44.23 O ATOM 636 CB ILE A 63 -20.173 11.537 -16.225 1.00 23.30 C ATOM 637 CG1 ILE A 63 -19.012 12.425 -16.677 1.00 11.41 C ATOM 638 CG2 ILE A 63 -20.384 11.655 -14.723 1.00 0.10 C ATOM 639 CD1 ILE A 63 -19.177 13.878 -16.290 1.00 14.41 C ATOM 0 H ILE A 63 -20.330 10.438 -18.635 1.00 53.53 H new ATOM 0 HA ILE A 63 -19.006 9.727 -16.109 1.00 63.42 H new ATOM 0 HB ILE A 63 -21.080 11.874 -16.727 1.00 23.30 H new ATOM 0 HG12 ILE A 63 -18.086 12.045 -16.246 1.00 11.41 H new ATOM 0 HG13 ILE A 63 -18.912 12.355 -17.760 1.00 11.41 H new ATOM 0 HG21 ILE A 63 -20.570 12.697 -14.462 1.00 0.10 H new ATOM 0 HG22 ILE A 63 -21.240 11.048 -14.427 1.00 0.10 H new ATOM 0 HG23 ILE A 63 -19.493 11.304 -14.202 1.00 0.10 H new ATOM 0 HD11 ILE A 63 -18.318 14.448 -16.642 1.00 14.41 H new ATOM 0 HD12 ILE A 63 -20.086 14.274 -16.743 1.00 14.41 H new ATOM 0 HD13 ILE A 63 -19.247 13.960 -15.205 1.00 14.41 H new ATOM 651 N VAL A 64 -20.809 8.182 -15.390 1.00 24.12 N ATOM 652 CA VAL A 64 -21.850 7.289 -14.896 1.00 53.04 C ATOM 653 C VAL A 64 -22.273 7.667 -13.481 1.00 64.50 C ATOM 654 O VAL A 64 -21.459 8.130 -12.682 1.00 13.43 O ATOM 655 CB VAL A 64 -21.383 5.821 -14.907 1.00 1.53 C ATOM 656 CG1 VAL A 64 -22.504 4.901 -14.450 1.00 71.41 C ATOM 657 CG2 VAL A 64 -20.890 5.429 -16.291 1.00 53.35 C ATOM 0 H VAL A 64 -19.867 7.941 -15.083 1.00 24.12 H new ATOM 0 HA VAL A 64 -22.702 7.395 -15.567 1.00 53.04 H new ATOM 0 HB VAL A 64 -20.553 5.717 -14.209 1.00 1.53 H new ATOM 0 HG11 VAL A 64 -22.156 3.868 -14.464 1.00 71.41 H new ATOM 0 HG12 VAL A 64 -22.804 5.169 -13.437 1.00 71.41 H new ATOM 0 HG13 VAL A 64 -23.357 5.006 -15.121 1.00 71.41 H new ATOM 0 HG21 VAL A 64 -20.564 4.389 -16.280 1.00 53.35 H new ATOM 0 HG22 VAL A 64 -21.698 5.548 -17.012 1.00 53.35 H new ATOM 0 HG23 VAL A 64 -20.054 6.068 -16.574 1.00 53.35 H new ATOM 667 N VAL A 65 -23.551 7.464 -13.177 1.00 3.22 N ATOM 668 CA VAL A 65 -24.082 7.782 -11.857 1.00 21.33 C ATOM 669 C VAL A 65 -25.117 6.752 -11.418 1.00 63.53 C ATOM 670 O VAL A 65 -25.999 6.375 -12.190 1.00 43.24 O ATOM 671 CB VAL A 65 -24.725 9.181 -11.832 1.00 4.20 C ATOM 672 CG1 VAL A 65 -25.100 9.572 -10.411 1.00 32.44 C ATOM 673 CG2 VAL A 65 -23.786 10.209 -12.446 1.00 2.05 C ATOM 0 H VAL A 65 -24.238 7.081 -13.827 1.00 3.22 H new ATOM 0 HA VAL A 65 -23.240 7.765 -11.165 1.00 21.33 H new ATOM 0 HB VAL A 65 -25.637 9.153 -12.428 1.00 4.20 H new ATOM 0 HG11 VAL A 65 -25.553 10.563 -10.414 1.00 32.44 H new ATOM 0 HG12 VAL A 65 -25.811 8.849 -10.010 1.00 32.44 H new ATOM 0 HG13 VAL A 65 -24.205 9.584 -9.789 1.00 32.44 H new ATOM 0 HG21 VAL A 65 -24.256 11.192 -12.420 1.00 2.05 H new ATOM 0 HG22 VAL A 65 -22.856 10.237 -11.879 1.00 2.05 H new ATOM 0 HG23 VAL A 65 -23.573 9.936 -13.479 1.00 2.05 H new ATOM 683 N ASP A 66 -25.003 6.299 -10.174 1.00 40.44 N ATOM 684 CA ASP A 66 -25.930 5.313 -9.632 1.00 1.14 C ATOM 685 C ASP A 66 -27.351 5.865 -9.596 1.00 15.42 C ATOM 686 O ASP A 66 -27.658 6.863 -10.250 1.00 72.34 O ATOM 687 CB ASP A 66 -25.497 4.894 -8.226 1.00 3.11 C ATOM 688 CG ASP A 66 -25.524 3.390 -8.036 1.00 13.33 C ATOM 689 OD1 ASP A 66 -26.228 2.708 -8.809 1.00 22.20 O ATOM 690 OD2 ASP A 66 -24.843 2.896 -7.113 1.00 1.02 O ATOM 0 H ASP A 66 -24.278 6.599 -9.522 1.00 40.44 H new ATOM 0 HA ASP A 66 -25.915 4.440 -10.284 1.00 1.14 H new ATOM 0 HB2 ASP A 66 -24.490 5.264 -8.034 1.00 3.11 H new ATOM 0 HB3 ASP A 66 -26.153 5.362 -7.492 1.00 3.11 H new ATOM 695 N LEU A 67 -28.216 5.211 -8.828 1.00 63.33 N ATOM 696 CA LEU A 67 -29.606 5.635 -8.708 1.00 12.34 C ATOM 697 C LEU A 67 -29.791 6.560 -7.509 1.00 1.40 C ATOM 698 O LEU A 67 -30.907 6.752 -7.026 1.00 61.31 O ATOM 699 CB LEU A 67 -30.522 4.418 -8.572 1.00 60.53 C ATOM 700 CG LEU A 67 -30.066 3.341 -7.587 1.00 64.44 C ATOM 701 CD1 LEU A 67 -29.056 2.411 -8.243 1.00 34.21 C ATOM 702 CD2 LEU A 67 -29.474 3.977 -6.338 1.00 32.32 C ATOM 0 H LEU A 67 -27.979 4.385 -8.279 1.00 63.33 H new ATOM 0 HA LEU A 67 -29.872 6.183 -9.612 1.00 12.34 H new ATOM 0 HB2 LEU A 67 -31.510 4.764 -8.269 1.00 60.53 H new ATOM 0 HB3 LEU A 67 -30.632 3.960 -9.555 1.00 60.53 H new ATOM 0 HG LEU A 67 -30.935 2.752 -7.294 1.00 64.44 H new ATOM 0 HD11 LEU A 67 -28.743 1.651 -7.527 1.00 34.21 H new ATOM 0 HD12 LEU A 67 -29.513 1.929 -9.107 1.00 34.21 H new ATOM 0 HD13 LEU A 67 -28.188 2.986 -8.565 1.00 34.21 H new ATOM 0 HD21 LEU A 67 -29.155 3.196 -5.648 1.00 32.32 H new ATOM 0 HD22 LEU A 67 -28.616 4.590 -6.614 1.00 32.32 H new ATOM 0 HD23 LEU A 67 -30.226 4.601 -5.856 1.00 32.32 H new ATOM 714 N SER A 68 -28.689 7.134 -7.035 1.00 73.40 N ATOM 715 CA SER A 68 -28.729 8.038 -5.892 1.00 34.02 C ATOM 716 C SER A 68 -29.480 7.405 -4.724 1.00 63.51 C ATOM 717 O SER A 68 -30.518 7.906 -4.294 1.00 13.42 O ATOM 718 CB SER A 68 -29.394 9.359 -6.283 1.00 42.31 C ATOM 719 OG SER A 68 -29.104 9.697 -7.628 1.00 50.24 O ATOM 0 H SER A 68 -27.758 6.989 -7.425 1.00 73.40 H new ATOM 0 HA SER A 68 -27.703 8.233 -5.579 1.00 34.02 H new ATOM 0 HB2 SER A 68 -30.473 9.280 -6.149 1.00 42.31 H new ATOM 0 HB3 SER A 68 -29.048 10.154 -5.622 1.00 42.31 H new ATOM 0 HG SER A 68 -29.542 10.544 -7.854 1.00 50.24 H new ATOM 725 N ASP A 69 -28.946 6.299 -4.216 1.00 41.23 N ATOM 726 CA ASP A 69 -29.563 5.596 -3.098 1.00 11.25 C ATOM 727 C ASP A 69 -29.305 6.331 -1.786 1.00 35.35 C ATOM 728 O ASP A 69 -28.249 6.935 -1.598 1.00 32.42 O ATOM 729 CB ASP A 69 -29.029 4.166 -3.009 1.00 60.21 C ATOM 730 CG ASP A 69 -30.111 3.129 -3.238 1.00 63.44 C ATOM 731 OD1 ASP A 69 -31.069 3.426 -3.982 1.00 64.42 O ATOM 732 OD2 ASP A 69 -30.000 2.020 -2.673 1.00 42.23 O ATOM 0 H ASP A 69 -28.087 5.871 -4.561 1.00 41.23 H new ATOM 0 HA ASP A 69 -30.639 5.563 -3.271 1.00 11.25 H new ATOM 0 HB2 ASP A 69 -28.238 4.030 -3.746 1.00 60.21 H new ATOM 0 HB3 ASP A 69 -28.581 4.009 -2.028 1.00 60.21 H new ATOM 737 N ASP A 70 -30.277 6.275 -0.882 1.00 15.32 N ATOM 738 CA ASP A 70 -30.156 6.935 0.413 1.00 52.10 C ATOM 739 C ASP A 70 -29.191 6.179 1.320 1.00 21.42 C ATOM 740 O ASP A 70 -28.847 6.647 2.404 1.00 23.14 O ATOM 741 CB ASP A 70 -31.526 7.045 1.084 1.00 73.31 C ATOM 742 CG ASP A 70 -32.424 8.059 0.404 1.00 14.50 C ATOM 743 OD1 ASP A 70 -31.972 8.692 -0.574 1.00 30.24 O ATOM 744 OD2 ASP A 70 -33.580 8.221 0.849 1.00 62.20 O ATOM 0 H ASP A 70 -31.157 5.779 -1.022 1.00 15.32 H new ATOM 0 HA ASP A 70 -29.761 7.937 0.247 1.00 52.10 H new ATOM 0 HB2 ASP A 70 -32.012 6.069 1.074 1.00 73.31 H new ATOM 0 HB3 ASP A 70 -31.394 7.324 2.129 1.00 73.31 H new ATOM 749 N ASN A 71 -28.759 5.006 0.869 1.00 63.43 N ATOM 750 CA ASN A 71 -27.834 4.183 1.641 1.00 53.15 C ATOM 751 C ASN A 71 -26.535 3.958 0.873 1.00 74.35 C ATOM 752 O ASN A 71 -25.563 3.436 1.417 1.00 5.34 O ATOM 753 CB ASN A 71 -28.478 2.838 1.981 1.00 35.32 C ATOM 754 CG ASN A 71 -29.883 2.992 2.531 1.00 53.10 C ATOM 755 OD1 ASN A 71 -30.140 3.847 3.379 1.00 44.11 O ATOM 756 ND2 ASN A 71 -30.802 2.162 2.049 1.00 5.42 N ATOM 0 H ASN A 71 -29.034 4.604 -0.027 1.00 63.43 H new ATOM 0 HA ASN A 71 -27.602 4.711 2.566 1.00 53.15 H new ATOM 0 HB2 ASN A 71 -28.507 2.216 1.086 1.00 35.32 H new ATOM 0 HB3 ASN A 71 -27.860 2.317 2.712 1.00 35.32 H new ATOM 0 HD21 ASN A 71 -31.765 2.219 2.381 1.00 5.42 H new ATOM 0 HD22 ASN A 71 -30.545 1.468 1.347 1.00 5.42 H new ATOM 763 N SER A 72 -26.528 4.355 -0.396 1.00 22.21 N ATOM 764 CA SER A 72 -25.350 4.194 -1.240 1.00 61.53 C ATOM 765 C SER A 72 -24.841 5.547 -1.726 1.00 45.04 C ATOM 766 O SER A 72 -23.807 6.034 -1.270 1.00 41.15 O ATOM 767 CB SER A 72 -25.673 3.298 -2.438 1.00 35.34 C ATOM 768 OG SER A 72 -24.964 2.073 -2.365 1.00 44.41 O ATOM 0 H SER A 72 -27.324 4.790 -0.862 1.00 22.21 H new ATOM 0 HA SER A 72 -24.568 3.724 -0.644 1.00 61.53 H new ATOM 0 HB2 SER A 72 -26.744 3.100 -2.470 1.00 35.34 H new ATOM 0 HB3 SER A 72 -25.417 3.815 -3.363 1.00 35.34 H new ATOM 0 HG SER A 72 -25.189 1.518 -3.141 1.00 44.41 H new ATOM 774 N GLY A 73 -25.575 6.150 -2.656 1.00 73.35 N ATOM 775 CA GLY A 73 -25.183 7.441 -3.190 1.00 40.01 C ATOM 776 C GLY A 73 -23.746 7.457 -3.673 1.00 73.53 C ATOM 777 O GLY A 73 -22.831 7.778 -2.915 1.00 14.41 O ATOM 0 H GLY A 73 -26.435 5.767 -3.049 1.00 73.35 H new ATOM 0 HA2 GLY A 73 -25.844 7.705 -4.016 1.00 40.01 H new ATOM 0 HA3 GLY A 73 -25.313 8.203 -2.422 1.00 40.01 H new ATOM 781 N LYS A 74 -23.546 7.106 -4.939 1.00 42.12 N ATOM 782 CA LYS A 74 -22.210 7.080 -5.524 1.00 54.10 C ATOM 783 C LYS A 74 -22.276 7.259 -7.037 1.00 43.14 C ATOM 784 O LYS A 74 -23.359 7.314 -7.619 1.00 43.31 O ATOM 785 CB LYS A 74 -21.508 5.763 -5.185 1.00 55.14 C ATOM 786 CG LYS A 74 -22.268 4.532 -5.649 1.00 51.31 C ATOM 787 CD LYS A 74 -21.439 3.270 -5.484 1.00 23.14 C ATOM 788 CE LYS A 74 -22.118 2.274 -4.556 1.00 53.04 C ATOM 789 NZ LYS A 74 -21.210 1.154 -4.184 1.00 75.34 N ATOM 0 H LYS A 74 -24.292 6.836 -5.580 1.00 42.12 H new ATOM 0 HA LYS A 74 -21.639 7.907 -5.102 1.00 54.10 H new ATOM 0 HB2 LYS A 74 -20.518 5.761 -5.640 1.00 55.14 H new ATOM 0 HB3 LYS A 74 -21.363 5.705 -4.106 1.00 55.14 H new ATOM 0 HG2 LYS A 74 -23.193 4.438 -5.079 1.00 51.31 H new ATOM 0 HG3 LYS A 74 -22.549 4.650 -6.696 1.00 51.31 H new ATOM 0 HD2 LYS A 74 -21.278 2.809 -6.459 1.00 23.14 H new ATOM 0 HD3 LYS A 74 -20.457 3.528 -5.087 1.00 23.14 H new ATOM 0 HE2 LYS A 74 -22.450 2.787 -3.654 1.00 53.04 H new ATOM 0 HE3 LYS A 74 -23.008 1.874 -5.041 1.00 53.04 H new ATOM 0 HZ1 LYS A 74 -21.710 0.497 -3.551 1.00 75.34 H new ATOM 0 HZ2 LYS A 74 -20.913 0.648 -5.043 1.00 75.34 H new ATOM 0 HZ3 LYS A 74 -20.372 1.533 -3.698 1.00 75.34 H new ATOM 803 N ALA A 75 -21.110 7.348 -7.669 1.00 63.31 N ATOM 804 CA ALA A 75 -21.035 7.517 -9.115 1.00 31.41 C ATOM 805 C ALA A 75 -19.636 7.200 -9.633 1.00 74.22 C ATOM 806 O ALA A 75 -18.742 6.852 -8.862 1.00 10.02 O ATOM 807 CB ALA A 75 -21.435 8.933 -9.502 1.00 75.52 C ATOM 0 H ALA A 75 -20.204 7.306 -7.202 1.00 63.31 H new ATOM 0 HA ALA A 75 -21.732 6.816 -9.575 1.00 31.41 H new ATOM 0 HB1 ALA A 75 -21.374 9.045 -10.585 1.00 75.52 H new ATOM 0 HB2 ALA A 75 -22.457 9.125 -9.174 1.00 75.52 H new ATOM 0 HB3 ALA A 75 -20.761 9.645 -9.025 1.00 75.52 H new ATOM 813 N TYR A 76 -19.455 7.322 -10.943 1.00 64.54 N ATOM 814 CA TYR A 76 -18.165 7.045 -11.565 1.00 20.10 C ATOM 815 C TYR A 76 -17.916 7.981 -12.743 1.00 51.44 C ATOM 816 O TYR A 76 -18.747 8.097 -13.645 1.00 31.12 O ATOM 817 CB TYR A 76 -18.103 5.590 -12.033 1.00 45.13 C ATOM 818 CG TYR A 76 -18.849 4.632 -11.133 1.00 24.51 C ATOM 819 CD1 TYR A 76 -20.211 4.412 -11.296 1.00 41.12 C ATOM 820 CD2 TYR A 76 -18.192 3.946 -10.118 1.00 42.24 C ATOM 821 CE1 TYR A 76 -20.897 3.538 -10.476 1.00 31.24 C ATOM 822 CE2 TYR A 76 -18.869 3.069 -9.294 1.00 55.00 C ATOM 823 CZ TYR A 76 -20.222 2.868 -9.476 1.00 41.34 C ATOM 824 OH TYR A 76 -20.901 1.996 -8.656 1.00 42.43 O ATOM 0 H TYR A 76 -20.184 7.611 -11.595 1.00 64.54 H new ATOM 0 HA TYR A 76 -17.387 7.214 -10.820 1.00 20.10 H new ATOM 0 HB2 TYR A 76 -18.514 5.523 -13.040 1.00 45.13 H new ATOM 0 HB3 TYR A 76 -17.060 5.281 -12.093 1.00 45.13 H new ATOM 0 HD1 TYR A 76 -20.743 4.934 -12.078 1.00 41.12 H new ATOM 0 HD2 TYR A 76 -17.133 4.102 -9.971 1.00 42.24 H new ATOM 0 HE1 TYR A 76 -21.956 3.380 -10.617 1.00 31.24 H new ATOM 0 HE2 TYR A 76 -18.342 2.543 -8.511 1.00 55.00 H new ATOM 0 HH TYR A 76 -20.279 1.607 -8.006 1.00 42.43 H new ATOM 834 N ILE A 77 -16.766 8.647 -12.729 1.00 14.22 N ATOM 835 CA ILE A 77 -16.406 9.572 -13.796 1.00 53.22 C ATOM 836 C ILE A 77 -15.282 9.007 -14.658 1.00 32.24 C ATOM 837 O ILE A 77 -14.149 8.860 -14.200 1.00 45.53 O ATOM 838 CB ILE A 77 -15.970 10.938 -13.234 1.00 41.02 C ATOM 839 CG1 ILE A 77 -16.987 11.440 -12.207 1.00 24.43 C ATOM 840 CG2 ILE A 77 -15.806 11.947 -14.361 1.00 70.33 C ATOM 841 CD1 ILE A 77 -16.634 12.786 -11.615 1.00 4.30 C ATOM 0 H ILE A 77 -16.068 8.563 -11.990 1.00 14.22 H new ATOM 0 HA ILE A 77 -17.297 9.708 -14.409 1.00 53.22 H new ATOM 0 HB ILE A 77 -15.008 10.819 -12.736 1.00 41.02 H new ATOM 0 HG12 ILE A 77 -17.967 11.506 -12.680 1.00 24.43 H new ATOM 0 HG13 ILE A 77 -17.070 10.709 -11.403 1.00 24.43 H new ATOM 0 HG21 ILE A 77 -15.498 12.907 -13.948 1.00 70.33 H new ATOM 0 HG22 ILE A 77 -15.048 11.592 -15.059 1.00 70.33 H new ATOM 0 HG23 ILE A 77 -16.755 12.065 -14.884 1.00 70.33 H new ATOM 0 HD11 ILE A 77 -17.399 13.079 -10.896 1.00 4.30 H new ATOM 0 HD12 ILE A 77 -15.669 12.721 -11.112 1.00 4.30 H new ATOM 0 HD13 ILE A 77 -16.580 13.530 -12.410 1.00 4.30 H new ATOM 853 N VAL A 78 -15.604 8.692 -15.908 1.00 64.24 N ATOM 854 CA VAL A 78 -14.620 8.145 -16.836 1.00 13.21 C ATOM 855 C VAL A 78 -13.861 9.257 -17.551 1.00 12.54 C ATOM 856 O VAL A 78 -14.463 10.139 -18.165 1.00 24.11 O ATOM 857 CB VAL A 78 -15.285 7.235 -17.886 1.00 44.10 C ATOM 858 CG1 VAL A 78 -14.231 6.487 -18.688 1.00 45.53 C ATOM 859 CG2 VAL A 78 -16.246 6.264 -17.217 1.00 63.13 C ATOM 0 H VAL A 78 -16.538 8.806 -16.302 1.00 64.24 H new ATOM 0 HA VAL A 78 -13.921 7.554 -16.244 1.00 13.21 H new ATOM 0 HB VAL A 78 -15.855 7.859 -18.574 1.00 44.10 H new ATOM 0 HG11 VAL A 78 -14.719 5.849 -19.425 1.00 45.53 H new ATOM 0 HG12 VAL A 78 -13.586 7.203 -19.198 1.00 45.53 H new ATOM 0 HG13 VAL A 78 -13.631 5.872 -18.017 1.00 45.53 H new ATOM 0 HG21 VAL A 78 -16.707 5.629 -17.974 1.00 63.13 H new ATOM 0 HG22 VAL A 78 -15.700 5.644 -16.506 1.00 63.13 H new ATOM 0 HG23 VAL A 78 -17.021 6.823 -16.691 1.00 63.13 H new ATOM 869 N PHE A 79 -12.536 9.210 -17.467 1.00 2.33 N ATOM 870 CA PHE A 79 -11.693 10.215 -18.105 1.00 71.43 C ATOM 871 C PHE A 79 -10.964 9.626 -19.310 1.00 2.53 C ATOM 872 O PHE A 79 -11.105 8.443 -19.617 1.00 51.44 O ATOM 873 CB PHE A 79 -10.680 10.772 -17.104 1.00 2.43 C ATOM 874 CG PHE A 79 -11.279 11.733 -16.117 1.00 30.35 C ATOM 875 CD1 PHE A 79 -11.364 13.085 -16.409 1.00 24.51 C ATOM 876 CD2 PHE A 79 -11.758 11.284 -14.897 1.00 33.25 C ATOM 877 CE1 PHE A 79 -11.914 13.970 -15.502 1.00 2.31 C ATOM 878 CE2 PHE A 79 -12.310 12.165 -13.986 1.00 20.04 C ATOM 879 CZ PHE A 79 -12.389 13.510 -14.289 1.00 63.14 C ATOM 0 H PHE A 79 -12.022 8.487 -16.963 1.00 2.33 H new ATOM 0 HA PHE A 79 -12.334 11.026 -18.450 1.00 71.43 H new ATOM 0 HB2 PHE A 79 -10.224 9.944 -16.562 1.00 2.43 H new ATOM 0 HB3 PHE A 79 -9.881 11.274 -17.649 1.00 2.43 H new ATOM 0 HD1 PHE A 79 -10.996 13.451 -17.356 1.00 24.51 H new ATOM 0 HD2 PHE A 79 -11.699 10.233 -14.655 1.00 33.25 H new ATOM 0 HE1 PHE A 79 -11.973 15.022 -15.741 1.00 2.31 H new ATOM 0 HE2 PHE A 79 -12.679 11.802 -13.038 1.00 20.04 H new ATOM 0 HZ PHE A 79 -12.821 14.200 -13.580 1.00 63.14 H new ATOM 889 N ALA A 80 -10.184 10.462 -19.988 1.00 12.32 N ATOM 890 CA ALA A 80 -9.431 10.026 -21.157 1.00 55.13 C ATOM 891 C ALA A 80 -8.416 8.950 -20.787 1.00 15.01 C ATOM 892 O ALA A 80 -8.231 7.977 -21.519 1.00 54.32 O ATOM 893 CB ALA A 80 -8.733 11.211 -21.808 1.00 14.21 C ATOM 0 H ALA A 80 -10.057 11.445 -19.747 1.00 12.32 H new ATOM 0 HA ALA A 80 -10.134 9.596 -21.870 1.00 55.13 H new ATOM 0 HB1 ALA A 80 -8.174 10.870 -22.680 1.00 14.21 H new ATOM 0 HB2 ALA A 80 -9.476 11.946 -22.118 1.00 14.21 H new ATOM 0 HB3 ALA A 80 -8.048 11.667 -21.094 1.00 14.21 H new ATOM 899 N THR A 81 -7.759 9.130 -19.645 1.00 54.43 N ATOM 900 CA THR A 81 -6.762 8.176 -19.179 1.00 4.13 C ATOM 901 C THR A 81 -6.403 8.425 -17.718 1.00 54.21 C ATOM 902 O THR A 81 -6.740 9.467 -17.157 1.00 14.14 O ATOM 903 CB THR A 81 -5.479 8.244 -20.029 1.00 21.32 C ATOM 904 OG1 THR A 81 -5.646 9.187 -21.093 1.00 5.31 O ATOM 905 CG2 THR A 81 -5.139 6.877 -20.605 1.00 3.34 C ATOM 0 H THR A 81 -7.900 9.928 -19.026 1.00 54.43 H new ATOM 0 HA THR A 81 -7.203 7.184 -19.278 1.00 4.13 H new ATOM 0 HB THR A 81 -4.659 8.564 -19.386 1.00 21.32 H new ATOM 0 HG1 THR A 81 -4.826 9.226 -21.628 1.00 5.31 H new ATOM 0 HG21 THR A 81 -4.230 6.949 -21.201 1.00 3.34 H new ATOM 0 HG22 THR A 81 -4.984 6.168 -19.792 1.00 3.34 H new ATOM 0 HG23 THR A 81 -5.959 6.533 -21.235 1.00 3.34 H new ATOM 913 N GLN A 82 -5.718 7.463 -17.109 1.00 72.33 N ATOM 914 CA GLN A 82 -5.315 7.579 -15.713 1.00 5.20 C ATOM 915 C GLN A 82 -4.584 8.895 -15.465 1.00 73.03 C ATOM 916 O GLN A 82 -4.640 9.449 -14.368 1.00 54.32 O ATOM 917 CB GLN A 82 -4.419 6.403 -15.319 1.00 41.23 C ATOM 918 CG GLN A 82 -4.632 5.928 -13.891 1.00 62.22 C ATOM 919 CD GLN A 82 -3.356 5.948 -13.073 1.00 62.10 C ATOM 920 OE1 GLN A 82 -2.255 5.847 -13.616 1.00 31.53 O ATOM 921 NE2 GLN A 82 -3.497 6.079 -11.759 1.00 44.32 N ATOM 0 H GLN A 82 -5.431 6.595 -17.560 1.00 72.33 H new ATOM 0 HA GLN A 82 -6.215 7.563 -15.099 1.00 5.20 H new ATOM 0 HB2 GLN A 82 -4.603 5.573 -16.001 1.00 41.23 H new ATOM 0 HB3 GLN A 82 -3.376 6.694 -15.445 1.00 41.23 H new ATOM 0 HG2 GLN A 82 -5.378 6.560 -13.409 1.00 62.22 H new ATOM 0 HG3 GLN A 82 -5.034 4.915 -13.905 1.00 62.22 H new ATOM 0 HE21 GLN A 82 -4.429 6.160 -11.352 1.00 44.32 H new ATOM 0 HE22 GLN A 82 -2.674 6.099 -11.157 1.00 44.32 H new ATOM 930 N GLU A 83 -3.899 9.389 -16.492 1.00 75.44 N ATOM 931 CA GLU A 83 -3.157 10.639 -16.384 1.00 52.04 C ATOM 932 C GLU A 83 -4.072 11.779 -15.945 1.00 71.40 C ATOM 933 O GLU A 83 -3.782 12.484 -14.979 1.00 52.30 O ATOM 934 CB GLU A 83 -2.500 10.985 -17.722 1.00 61.12 C ATOM 935 CG GLU A 83 -1.036 10.586 -17.802 1.00 71.33 C ATOM 936 CD GLU A 83 -0.146 11.454 -16.934 1.00 72.02 C ATOM 937 OE1 GLU A 83 -0.074 12.674 -17.191 1.00 64.32 O ATOM 938 OE2 GLU A 83 0.477 10.913 -15.997 1.00 64.21 O ATOM 0 H GLU A 83 -3.843 8.943 -17.407 1.00 75.44 H new ATOM 0 HA GLU A 83 -2.382 10.507 -15.629 1.00 52.04 H new ATOM 0 HB2 GLU A 83 -3.047 10.490 -18.525 1.00 61.12 H new ATOM 0 HB3 GLU A 83 -2.585 12.058 -17.892 1.00 61.12 H new ATOM 0 HG2 GLU A 83 -0.930 9.545 -17.497 1.00 71.33 H new ATOM 0 HG3 GLU A 83 -0.702 10.651 -18.837 1.00 71.33 H new ATOM 945 N SER A 84 -5.178 11.952 -16.662 1.00 43.01 N ATOM 946 CA SER A 84 -6.134 13.008 -16.350 1.00 5.11 C ATOM 947 C SER A 84 -6.922 12.672 -15.088 1.00 22.33 C ATOM 948 O SER A 84 -7.107 13.519 -14.214 1.00 74.45 O ATOM 949 CB SER A 84 -7.093 13.220 -17.523 1.00 21.13 C ATOM 950 OG SER A 84 -6.717 14.349 -18.292 1.00 3.12 O ATOM 0 H SER A 84 -5.434 11.374 -17.463 1.00 43.01 H new ATOM 0 HA SER A 84 -5.577 13.928 -16.175 1.00 5.11 H new ATOM 0 HB2 SER A 84 -7.101 12.332 -18.155 1.00 21.13 H new ATOM 0 HB3 SER A 84 -8.108 13.353 -17.148 1.00 21.13 H new ATOM 0 HG SER A 84 -7.345 14.462 -19.036 1.00 3.12 H new ATOM 956 N ALA A 85 -7.383 11.428 -15.000 1.00 13.53 N ATOM 957 CA ALA A 85 -8.150 10.978 -13.845 1.00 2.24 C ATOM 958 C ALA A 85 -7.405 11.266 -12.545 1.00 51.25 C ATOM 959 O ALA A 85 -7.936 11.919 -11.648 1.00 2.43 O ATOM 960 CB ALA A 85 -8.456 9.492 -13.961 1.00 53.43 C ATOM 0 H ALA A 85 -7.239 10.715 -15.715 1.00 13.53 H new ATOM 0 HA ALA A 85 -9.089 11.531 -13.826 1.00 2.24 H new ATOM 0 HB1 ALA A 85 -9.029 9.170 -13.092 1.00 53.43 H new ATOM 0 HB2 ALA A 85 -9.036 9.309 -14.866 1.00 53.43 H new ATOM 0 HB3 ALA A 85 -7.523 8.931 -14.009 1.00 53.43 H new ATOM 966 N GLN A 86 -6.174 10.774 -12.453 1.00 1.01 N ATOM 967 CA GLN A 86 -5.358 10.978 -11.262 1.00 3.20 C ATOM 968 C GLN A 86 -5.265 12.460 -10.913 1.00 65.03 C ATOM 969 O GLN A 86 -5.349 12.839 -9.746 1.00 4.33 O ATOM 970 CB GLN A 86 -3.956 10.403 -11.474 1.00 33.24 C ATOM 971 CG GLN A 86 -2.980 10.754 -10.362 1.00 73.42 C ATOM 972 CD GLN A 86 -1.876 11.682 -10.827 1.00 1.30 C ATOM 973 OE1 GLN A 86 -0.815 11.234 -11.263 1.00 2.54 O ATOM 974 NE2 GLN A 86 -2.120 12.984 -10.737 1.00 1.43 N ATOM 0 H GLN A 86 -5.720 10.232 -13.188 1.00 1.01 H new ATOM 0 HA GLN A 86 -5.835 10.457 -10.432 1.00 3.20 H new ATOM 0 HB2 GLN A 86 -4.026 9.318 -11.556 1.00 33.24 H new ATOM 0 HB3 GLN A 86 -3.561 10.770 -12.422 1.00 33.24 H new ATOM 0 HG2 GLN A 86 -3.523 11.224 -9.542 1.00 73.42 H new ATOM 0 HG3 GLN A 86 -2.538 9.838 -9.969 1.00 73.42 H new ATOM 0 HE21 GLN A 86 -3.013 13.311 -10.369 1.00 1.43 H new ATOM 0 HE22 GLN A 86 -1.414 13.657 -11.035 1.00 1.43 H new ATOM 983 N ALA A 87 -5.090 13.293 -11.934 1.00 10.10 N ATOM 984 CA ALA A 87 -4.987 14.733 -11.735 1.00 50.44 C ATOM 985 C ALA A 87 -6.241 15.286 -11.066 1.00 41.45 C ATOM 986 O ALA A 87 -6.159 16.029 -10.088 1.00 45.21 O ATOM 987 CB ALA A 87 -4.743 15.433 -13.064 1.00 40.31 C ATOM 0 H ALA A 87 -5.017 12.995 -12.907 1.00 10.10 H new ATOM 0 HA ALA A 87 -4.141 14.924 -11.075 1.00 50.44 H new ATOM 0 HB1 ALA A 87 -4.668 16.508 -12.901 1.00 40.31 H new ATOM 0 HB2 ALA A 87 -3.815 15.067 -13.503 1.00 40.31 H new ATOM 0 HB3 ALA A 87 -5.571 15.226 -13.742 1.00 40.31 H new ATOM 993 N PHE A 88 -7.401 14.920 -11.601 1.00 13.24 N ATOM 994 CA PHE A 88 -8.673 15.381 -11.056 1.00 50.30 C ATOM 995 C PHE A 88 -8.904 14.814 -9.659 1.00 32.53 C ATOM 996 O PHE A 88 -9.465 15.482 -8.790 1.00 24.43 O ATOM 997 CB PHE A 88 -9.824 14.977 -11.980 1.00 11.53 C ATOM 998 CG PHE A 88 -11.182 15.195 -11.376 1.00 1.03 C ATOM 999 CD1 PHE A 88 -11.780 14.208 -10.609 1.00 23.03 C ATOM 1000 CD2 PHE A 88 -11.860 16.387 -11.574 1.00 74.45 C ATOM 1001 CE1 PHE A 88 -13.029 14.405 -10.052 1.00 54.45 C ATOM 1002 CE2 PHE A 88 -13.110 16.590 -11.020 1.00 73.14 C ATOM 1003 CZ PHE A 88 -13.695 15.598 -10.258 1.00 0.25 C ATOM 0 H PHE A 88 -7.487 14.306 -12.411 1.00 13.24 H new ATOM 0 HA PHE A 88 -8.637 16.468 -10.986 1.00 50.30 H new ATOM 0 HB2 PHE A 88 -9.752 15.546 -12.907 1.00 11.53 H new ATOM 0 HB3 PHE A 88 -9.716 13.925 -12.242 1.00 11.53 H new ATOM 0 HD1 PHE A 88 -11.264 13.274 -10.445 1.00 23.03 H new ATOM 0 HD2 PHE A 88 -11.407 17.167 -12.168 1.00 74.45 H new ATOM 0 HE1 PHE A 88 -13.484 13.628 -9.456 1.00 54.45 H new ATOM 0 HE2 PHE A 88 -13.629 17.523 -11.183 1.00 73.14 H new ATOM 0 HZ PHE A 88 -14.671 15.754 -9.824 1.00 0.25 H new ATOM 1013 N VAL A 89 -8.469 13.575 -9.450 1.00 44.01 N ATOM 1014 CA VAL A 89 -8.627 12.916 -8.159 1.00 41.21 C ATOM 1015 C VAL A 89 -7.864 13.657 -7.067 1.00 25.20 C ATOM 1016 O VAL A 89 -8.388 13.888 -5.978 1.00 42.42 O ATOM 1017 CB VAL A 89 -8.140 11.456 -8.211 1.00 22.12 C ATOM 1018 CG1 VAL A 89 -8.236 10.812 -6.836 1.00 62.11 C ATOM 1019 CG2 VAL A 89 -8.938 10.665 -9.236 1.00 64.42 C ATOM 0 H VAL A 89 -8.004 13.007 -10.159 1.00 44.01 H new ATOM 0 HA VAL A 89 -9.692 12.928 -7.926 1.00 41.21 H new ATOM 0 HB VAL A 89 -7.094 11.451 -8.516 1.00 22.12 H new ATOM 0 HG11 VAL A 89 -7.888 9.781 -6.892 1.00 62.11 H new ATOM 0 HG12 VAL A 89 -7.617 11.366 -6.131 1.00 62.11 H new ATOM 0 HG13 VAL A 89 -9.272 10.827 -6.499 1.00 62.11 H new ATOM 0 HG21 VAL A 89 -8.581 9.636 -9.260 1.00 64.42 H new ATOM 0 HG22 VAL A 89 -9.993 10.677 -8.963 1.00 64.42 H new ATOM 0 HG23 VAL A 89 -8.813 11.115 -10.221 1.00 64.42 H new ATOM 1029 N GLU A 90 -6.622 14.026 -7.367 1.00 11.14 N ATOM 1030 CA GLU A 90 -5.786 14.741 -6.409 1.00 32.30 C ATOM 1031 C GLU A 90 -6.121 16.229 -6.399 1.00 15.41 C ATOM 1032 O GLU A 90 -5.845 16.932 -5.427 1.00 42.13 O ATOM 1033 CB GLU A 90 -4.306 14.542 -6.742 1.00 51.35 C ATOM 1034 CG GLU A 90 -3.913 13.086 -6.925 1.00 73.12 C ATOM 1035 CD GLU A 90 -3.864 12.326 -5.614 1.00 4.11 C ATOM 1036 OE1 GLU A 90 -3.266 12.848 -4.649 1.00 60.42 O ATOM 1037 OE2 GLU A 90 -4.422 11.211 -5.552 1.00 64.22 O ATOM 0 H GLU A 90 -6.173 13.842 -8.264 1.00 11.14 H new ATOM 0 HA GLU A 90 -5.986 14.335 -5.417 1.00 32.30 H new ATOM 0 HB2 GLU A 90 -4.071 15.090 -7.654 1.00 51.35 H new ATOM 0 HB3 GLU A 90 -3.702 14.975 -5.945 1.00 51.35 H new ATOM 0 HG2 GLU A 90 -4.625 12.603 -7.594 1.00 73.12 H new ATOM 0 HG3 GLU A 90 -2.937 13.035 -7.407 1.00 73.12 H new ATOM 1044 N ALA A 91 -6.719 16.703 -7.488 1.00 24.23 N ATOM 1045 CA ALA A 91 -7.093 18.107 -7.604 1.00 70.34 C ATOM 1046 C ALA A 91 -8.328 18.417 -6.766 1.00 33.12 C ATOM 1047 O ALA A 91 -8.559 19.564 -6.383 1.00 50.10 O ATOM 1048 CB ALA A 91 -7.338 18.468 -9.062 1.00 3.21 C ATOM 0 H ALA A 91 -6.954 16.135 -8.302 1.00 24.23 H new ATOM 0 HA ALA A 91 -6.268 18.710 -7.225 1.00 70.34 H new ATOM 0 HB1 ALA A 91 -7.617 19.519 -9.135 1.00 3.21 H new ATOM 0 HB2 ALA A 91 -6.429 18.293 -9.638 1.00 3.21 H new ATOM 0 HB3 ALA A 91 -8.144 17.851 -9.459 1.00 3.21 H new ATOM 1054 N PHE A 92 -9.120 17.388 -6.484 1.00 73.41 N ATOM 1055 CA PHE A 92 -10.334 17.551 -5.692 1.00 23.00 C ATOM 1056 C PHE A 92 -10.333 16.605 -4.495 1.00 1.25 C ATOM 1057 O PHE A 92 -11.316 16.518 -3.759 1.00 42.52 O ATOM 1058 CB PHE A 92 -11.570 17.297 -6.556 1.00 74.42 C ATOM 1059 CG PHE A 92 -11.838 18.386 -7.555 1.00 62.34 C ATOM 1060 CD1 PHE A 92 -10.958 18.617 -8.600 1.00 64.33 C ATOM 1061 CD2 PHE A 92 -12.970 19.178 -7.450 1.00 45.12 C ATOM 1062 CE1 PHE A 92 -11.201 19.619 -9.520 1.00 60.25 C ATOM 1063 CE2 PHE A 92 -13.218 20.181 -8.368 1.00 14.43 C ATOM 1064 CZ PHE A 92 -12.333 20.401 -9.405 1.00 13.22 C ATOM 0 H PHE A 92 -8.943 16.432 -6.792 1.00 73.41 H new ATOM 0 HA PHE A 92 -10.362 18.576 -5.323 1.00 23.00 H new ATOM 0 HB2 PHE A 92 -11.445 16.352 -7.085 1.00 74.42 H new ATOM 0 HB3 PHE A 92 -12.440 17.187 -5.908 1.00 74.42 H new ATOM 0 HD1 PHE A 92 -10.072 18.007 -8.697 1.00 64.33 H new ATOM 0 HD2 PHE A 92 -13.666 19.010 -6.642 1.00 45.12 H new ATOM 0 HE1 PHE A 92 -10.506 19.790 -10.329 1.00 60.25 H new ATOM 0 HE2 PHE A 92 -14.103 20.792 -8.274 1.00 14.43 H new ATOM 0 HZ PHE A 92 -12.526 21.183 -10.124 1.00 13.22 H new ATOM 1074 N GLN A 93 -9.223 15.899 -4.307 1.00 21.32 N ATOM 1075 CA GLN A 93 -9.094 14.958 -3.200 1.00 15.41 C ATOM 1076 C GLN A 93 -9.526 15.602 -1.886 1.00 62.12 C ATOM 1077 O GLN A 93 -10.070 14.936 -1.006 1.00 64.12 O ATOM 1078 CB GLN A 93 -7.652 14.462 -3.089 1.00 3.50 C ATOM 1079 CG GLN A 93 -7.346 13.770 -1.771 1.00 2.45 C ATOM 1080 CD GLN A 93 -5.929 13.235 -1.708 1.00 31.45 C ATOM 1081 OE1 GLN A 93 -5.616 12.203 -2.302 1.00 35.50 O ATOM 1082 NE2 GLN A 93 -5.063 13.935 -0.985 1.00 24.21 N ATOM 0 H GLN A 93 -8.400 15.960 -4.907 1.00 21.32 H new ATOM 0 HA GLN A 93 -9.747 14.109 -3.400 1.00 15.41 H new ATOM 0 HB2 GLN A 93 -7.450 13.771 -3.908 1.00 3.50 H new ATOM 0 HB3 GLN A 93 -6.975 15.308 -3.211 1.00 3.50 H new ATOM 0 HG2 GLN A 93 -7.502 14.472 -0.952 1.00 2.45 H new ATOM 0 HG3 GLN A 93 -8.047 12.948 -1.625 1.00 2.45 H new ATOM 0 HE21 GLN A 93 -5.365 14.785 -0.509 1.00 24.21 H new ATOM 0 HE22 GLN A 93 -4.095 13.623 -0.906 1.00 24.21 H new ATOM 1091 N GLY A 94 -9.279 16.902 -1.760 1.00 42.45 N ATOM 1092 CA GLY A 94 -9.648 17.614 -0.551 1.00 3.03 C ATOM 1093 C GLY A 94 -10.352 18.924 -0.841 1.00 15.31 C ATOM 1094 O GLY A 94 -9.857 19.995 -0.488 1.00 74.11 O ATOM 0 H GLY A 94 -8.830 17.475 -2.474 1.00 42.45 H new ATOM 0 HA2 GLY A 94 -10.298 16.982 0.055 1.00 3.03 H new ATOM 0 HA3 GLY A 94 -8.753 17.809 0.039 1.00 3.03 H new ATOM 1098 N TYR A 95 -11.510 18.841 -1.487 1.00 32.13 N ATOM 1099 CA TYR A 95 -12.282 20.030 -1.828 1.00 73.31 C ATOM 1100 C TYR A 95 -13.750 19.853 -1.450 1.00 41.23 C ATOM 1101 O TYR A 95 -14.355 18.805 -1.679 1.00 2.54 O ATOM 1102 CB TYR A 95 -12.162 20.330 -3.323 1.00 64.01 C ATOM 1103 CG TYR A 95 -13.003 21.502 -3.775 1.00 42.21 C ATOM 1104 CD1 TYR A 95 -14.349 21.340 -4.079 1.00 10.02 C ATOM 1105 CD2 TYR A 95 -12.452 22.771 -3.900 1.00 4.45 C ATOM 1106 CE1 TYR A 95 -15.122 22.408 -4.493 1.00 25.11 C ATOM 1107 CE2 TYR A 95 -13.217 23.845 -4.311 1.00 42.24 C ATOM 1108 CZ TYR A 95 -14.551 23.658 -4.607 1.00 50.51 C ATOM 1109 OH TYR A 95 -15.316 24.725 -5.019 1.00 53.41 O ATOM 0 H TYR A 95 -11.935 17.963 -1.785 1.00 32.13 H new ATOM 0 HA TYR A 95 -11.878 20.869 -1.262 1.00 73.31 H new ATOM 0 HB2 TYR A 95 -11.117 20.530 -3.562 1.00 64.01 H new ATOM 0 HB3 TYR A 95 -12.455 19.445 -3.887 1.00 64.01 H new ATOM 0 HD1 TYR A 95 -14.799 20.362 -3.990 1.00 10.02 H new ATOM 0 HD2 TYR A 95 -11.407 22.920 -3.672 1.00 4.45 H new ATOM 0 HE1 TYR A 95 -16.167 22.265 -4.726 1.00 25.11 H new ATOM 0 HE2 TYR A 95 -12.773 24.826 -4.400 1.00 42.24 H new ATOM 0 HH TYR A 95 -14.763 25.533 -5.045 1.00 53.41 H new ATOM 1119 N PRO A 96 -14.338 20.903 -0.858 1.00 44.52 N ATOM 1120 CA PRO A 96 -15.742 20.891 -0.437 1.00 5.14 C ATOM 1121 C PRO A 96 -16.702 20.896 -1.621 1.00 14.34 C ATOM 1122 O PRO A 96 -16.906 21.926 -2.263 1.00 40.53 O ATOM 1123 CB PRO A 96 -15.881 22.184 0.371 1.00 41.12 C ATOM 1124 CG PRO A 96 -14.819 23.081 -0.165 1.00 1.34 C ATOM 1125 CD PRO A 96 -13.677 22.184 -0.555 1.00 50.21 C ATOM 0 HA PRO A 96 -15.991 19.992 0.126 1.00 5.14 H new ATOM 0 HB2 PRO A 96 -16.871 22.624 0.247 1.00 41.12 H new ATOM 0 HB3 PRO A 96 -15.744 22.001 1.437 1.00 41.12 H new ATOM 0 HG2 PRO A 96 -15.182 23.646 -1.023 1.00 1.34 H new ATOM 0 HG3 PRO A 96 -14.506 23.807 0.585 1.00 1.34 H new ATOM 0 HD2 PRO A 96 -13.138 22.572 -1.419 1.00 50.21 H new ATOM 0 HD3 PRO A 96 -12.953 22.081 0.253 1.00 50.21 H new ATOM 1133 N PHE A 97 -17.291 19.739 -1.904 1.00 13.12 N ATOM 1134 CA PHE A 97 -18.231 19.610 -3.012 1.00 10.55 C ATOM 1135 C PHE A 97 -19.515 18.922 -2.558 1.00 52.32 C ATOM 1136 O PHE A 97 -19.489 18.042 -1.699 1.00 20.22 O ATOM 1137 CB PHE A 97 -17.595 18.823 -4.159 1.00 1.21 C ATOM 1138 CG PHE A 97 -18.543 18.538 -5.288 1.00 71.13 C ATOM 1139 CD1 PHE A 97 -19.147 19.574 -5.982 1.00 14.14 C ATOM 1140 CD2 PHE A 97 -18.831 17.233 -5.656 1.00 44.31 C ATOM 1141 CE1 PHE A 97 -20.020 19.315 -7.022 1.00 13.14 C ATOM 1142 CE2 PHE A 97 -19.702 16.968 -6.695 1.00 52.24 C ATOM 1143 CZ PHE A 97 -20.299 18.010 -7.378 1.00 43.22 C ATOM 0 H PHE A 97 -17.134 18.877 -1.382 1.00 13.12 H new ATOM 0 HA PHE A 97 -18.481 20.611 -3.363 1.00 10.55 H new ATOM 0 HB2 PHE A 97 -16.742 19.382 -4.544 1.00 1.21 H new ATOM 0 HB3 PHE A 97 -17.209 17.880 -3.772 1.00 1.21 H new ATOM 0 HD1 PHE A 97 -18.933 20.596 -5.707 1.00 14.14 H new ATOM 0 HD2 PHE A 97 -18.369 16.414 -5.124 1.00 44.31 H new ATOM 0 HE1 PHE A 97 -20.483 20.132 -7.555 1.00 13.14 H new ATOM 0 HE2 PHE A 97 -19.916 15.947 -6.973 1.00 52.24 H new ATOM 0 HZ PHE A 97 -20.982 17.805 -8.189 1.00 43.22 H new ATOM 1153 N GLN A 98 -20.637 19.332 -3.142 1.00 63.43 N ATOM 1154 CA GLN A 98 -21.931 18.756 -2.798 1.00 32.34 C ATOM 1155 C GLN A 98 -22.206 18.890 -1.304 1.00 33.05 C ATOM 1156 O GLN A 98 -22.972 18.116 -0.731 1.00 70.21 O ATOM 1157 CB GLN A 98 -21.983 17.283 -3.207 1.00 72.15 C ATOM 1158 CG GLN A 98 -23.074 16.971 -4.219 1.00 33.00 C ATOM 1159 CD GLN A 98 -23.714 15.616 -3.988 1.00 51.21 C ATOM 1160 OE1 GLN A 98 -24.141 15.300 -2.877 1.00 70.44 O ATOM 1161 NE2 GLN A 98 -23.784 14.808 -5.039 1.00 73.50 N ATOM 0 H GLN A 98 -20.675 20.060 -3.855 1.00 63.43 H new ATOM 0 HA GLN A 98 -22.700 19.304 -3.342 1.00 32.34 H new ATOM 0 HB2 GLN A 98 -21.018 16.996 -3.625 1.00 72.15 H new ATOM 0 HB3 GLN A 98 -22.139 16.673 -2.317 1.00 72.15 H new ATOM 0 HG2 GLN A 98 -23.841 17.744 -4.171 1.00 33.00 H new ATOM 0 HG3 GLN A 98 -22.652 17.003 -5.224 1.00 33.00 H new ATOM 0 HE21 GLN A 98 -23.417 15.112 -5.941 1.00 73.50 H new ATOM 0 HE22 GLN A 98 -24.205 13.884 -4.944 1.00 73.50 H new ATOM 1170 N GLY A 99 -21.575 19.879 -0.677 1.00 34.30 N ATOM 1171 CA GLY A 99 -21.765 20.096 0.745 1.00 30.13 C ATOM 1172 C GLY A 99 -20.455 20.297 1.481 1.00 61.02 C ATOM 1173 O GLY A 99 -20.238 21.336 2.103 1.00 62.04 O ATOM 0 H GLY A 99 -20.936 20.533 -1.129 1.00 34.30 H new ATOM 0 HA2 GLY A 99 -22.400 20.969 0.894 1.00 30.13 H new ATOM 0 HA3 GLY A 99 -22.291 19.242 1.173 1.00 30.13 H new ATOM 1177 N ASN A 100 -19.580 19.299 1.411 1.00 1.03 N ATOM 1178 CA ASN A 100 -18.285 19.370 2.078 1.00 3.31 C ATOM 1179 C ASN A 100 -17.501 18.076 1.885 1.00 72.45 C ATOM 1180 O ASN A 100 -16.397 18.064 1.340 1.00 11.50 O ATOM 1181 CB ASN A 100 -18.471 19.648 3.571 1.00 10.40 C ATOM 1182 CG ASN A 100 -17.384 19.015 4.417 1.00 5.13 C ATOM 1183 OD1 ASN A 100 -16.199 19.108 4.096 1.00 23.12 O ATOM 1184 ND2 ASN A 100 -17.783 18.367 5.505 1.00 21.41 N ATOM 0 H ASN A 100 -19.744 18.432 0.899 1.00 1.03 H new ATOM 0 HA ASN A 100 -17.719 20.187 1.630 1.00 3.31 H new ATOM 0 HB2 ASN A 100 -18.477 20.725 3.739 1.00 10.40 H new ATOM 0 HB3 ASN A 100 -19.442 19.270 3.890 1.00 10.40 H new ATOM 0 HD21 ASN A 100 -17.097 17.921 6.113 1.00 21.41 H new ATOM 0 HD22 ASN A 100 -18.776 18.315 5.732 1.00 21.41 H new ATOM 1191 N PRO A 101 -18.085 16.957 2.340 1.00 2.10 N ATOM 1192 CA PRO A 101 -17.460 15.636 2.227 1.00 21.24 C ATOM 1193 C PRO A 101 -17.409 15.140 0.786 1.00 31.55 C ATOM 1194 O PRO A 101 -18.427 14.739 0.221 1.00 73.22 O ATOM 1195 CB PRO A 101 -18.371 14.740 3.070 1.00 60.41 C ATOM 1196 CG PRO A 101 -19.695 15.423 3.053 1.00 21.51 C ATOM 1197 CD PRO A 101 -19.400 16.896 3.000 1.00 40.14 C ATOM 0 HA PRO A 101 -16.422 15.646 2.560 1.00 21.24 H new ATOM 0 HB2 PRO A 101 -18.438 13.736 2.650 1.00 60.41 H new ATOM 0 HB3 PRO A 101 -17.992 14.635 4.087 1.00 60.41 H new ATOM 0 HG2 PRO A 101 -20.284 15.112 2.190 1.00 21.51 H new ATOM 0 HG3 PRO A 101 -20.275 15.173 3.942 1.00 21.51 H new ATOM 0 HD2 PRO A 101 -20.159 17.438 2.435 1.00 40.14 H new ATOM 0 HD3 PRO A 101 -19.370 17.336 3.997 1.00 40.14 H new ATOM 1205 N LEU A 102 -16.219 15.168 0.197 1.00 2.25 N ATOM 1206 CA LEU A 102 -16.035 14.720 -1.179 1.00 11.33 C ATOM 1207 C LEU A 102 -14.855 13.759 -1.286 1.00 14.33 C ATOM 1208 O LEU A 102 -13.739 14.083 -0.880 1.00 21.50 O ATOM 1209 CB LEU A 102 -15.815 15.920 -2.101 1.00 53.44 C ATOM 1210 CG LEU A 102 -15.329 15.600 -3.515 1.00 71.22 C ATOM 1211 CD1 LEU A 102 -16.420 14.898 -4.309 1.00 32.14 C ATOM 1212 CD2 LEU A 102 -14.883 16.869 -4.226 1.00 64.02 C ATOM 0 H LEU A 102 -15.367 15.496 0.651 1.00 2.25 H new ATOM 0 HA LEU A 102 -16.938 14.193 -1.487 1.00 11.33 H new ATOM 0 HB2 LEU A 102 -16.752 16.471 -2.177 1.00 53.44 H new ATOM 0 HB3 LEU A 102 -15.091 16.586 -1.631 1.00 53.44 H new ATOM 0 HG LEU A 102 -14.473 14.929 -3.441 1.00 71.22 H new ATOM 0 HD11 LEU A 102 -16.056 14.678 -5.313 1.00 32.14 H new ATOM 0 HD12 LEU A 102 -16.692 13.968 -3.810 1.00 32.14 H new ATOM 0 HD13 LEU A 102 -17.295 15.544 -4.374 1.00 32.14 H new ATOM 0 HD21 LEU A 102 -14.540 16.622 -5.231 1.00 64.02 H new ATOM 0 HD22 LEU A 102 -15.720 17.564 -4.289 1.00 64.02 H new ATOM 0 HD23 LEU A 102 -14.068 17.331 -3.668 1.00 64.02 H new ATOM 1224 N VAL A 103 -15.110 12.577 -1.837 1.00 32.34 N ATOM 1225 CA VAL A 103 -14.069 11.569 -2.000 1.00 41.45 C ATOM 1226 C VAL A 103 -13.900 11.187 -3.467 1.00 3.34 C ATOM 1227 O VAL A 103 -14.881 10.984 -4.183 1.00 3.43 O ATOM 1228 CB VAL A 103 -14.381 10.301 -1.184 1.00 0.44 C ATOM 1229 CG1 VAL A 103 -15.596 9.585 -1.753 1.00 30.01 C ATOM 1230 CG2 VAL A 103 -13.173 9.377 -1.153 1.00 0.44 C ATOM 0 H VAL A 103 -16.029 12.294 -2.178 1.00 32.34 H new ATOM 0 HA VAL A 103 -13.142 12.009 -1.632 1.00 41.45 H new ATOM 0 HB VAL A 103 -14.610 10.596 -0.160 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -15.801 8.691 -1.163 1.00 30.01 H new ATOM 0 HG12 VAL A 103 -16.459 10.249 -1.717 1.00 30.01 H new ATOM 0 HG13 VAL A 103 -15.400 9.300 -2.787 1.00 30.01 H new ATOM 0 HG21 VAL A 103 -13.411 8.486 -0.572 1.00 0.44 H new ATOM 0 HG22 VAL A 103 -12.910 9.087 -2.170 1.00 0.44 H new ATOM 0 HG23 VAL A 103 -12.331 9.895 -0.694 1.00 0.44 H new ATOM 1240 N ILE A 104 -12.650 11.091 -3.907 1.00 23.53 N ATOM 1241 CA ILE A 104 -12.352 10.731 -5.288 1.00 12.05 C ATOM 1242 C ILE A 104 -11.219 9.714 -5.359 1.00 25.44 C ATOM 1243 O ILE A 104 -10.129 9.942 -4.831 1.00 15.10 O ATOM 1244 CB ILE A 104 -11.970 11.968 -6.121 1.00 43.04 C ATOM 1245 CG1 ILE A 104 -11.330 13.034 -5.229 1.00 60.32 C ATOM 1246 CG2 ILE A 104 -13.194 12.528 -6.830 1.00 41.13 C ATOM 1247 CD1 ILE A 104 -12.334 13.955 -4.573 1.00 55.12 C ATOM 0 H ILE A 104 -11.827 11.257 -3.327 1.00 23.53 H new ATOM 0 HA ILE A 104 -13.259 10.290 -5.702 1.00 12.05 H new ATOM 0 HB ILE A 104 -11.243 11.669 -6.875 1.00 43.04 H new ATOM 0 HG12 ILE A 104 -10.740 12.542 -4.455 1.00 60.32 H new ATOM 0 HG13 ILE A 104 -10.639 13.629 -5.826 1.00 60.32 H new ATOM 0 HG21 ILE A 104 -12.908 13.402 -7.415 1.00 41.13 H new ATOM 0 HG22 ILE A 104 -13.610 11.769 -7.492 1.00 41.13 H new ATOM 0 HG23 ILE A 104 -13.943 12.815 -6.092 1.00 41.13 H new ATOM 0 HD11 ILE A 104 -11.810 14.685 -3.956 1.00 55.12 H new ATOM 0 HD12 ILE A 104 -12.907 14.474 -5.341 1.00 55.12 H new ATOM 0 HD13 ILE A 104 -13.010 13.371 -3.948 1.00 55.12 H new ATOM 1259 N THR A 105 -11.481 8.588 -6.017 1.00 3.45 N ATOM 1260 CA THR A 105 -10.483 7.536 -6.158 1.00 31.50 C ATOM 1261 C THR A 105 -10.608 6.838 -7.508 1.00 23.35 C ATOM 1262 O THR A 105 -11.591 7.023 -8.225 1.00 43.22 O ATOM 1263 CB THR A 105 -10.610 6.487 -5.037 1.00 32.11 C ATOM 1264 OG1 THR A 105 -11.992 6.233 -4.758 1.00 5.13 O ATOM 1265 CG2 THR A 105 -9.910 6.960 -3.772 1.00 34.23 C ATOM 0 H THR A 105 -12.376 8.382 -6.460 1.00 3.45 H new ATOM 0 HA THR A 105 -9.506 8.015 -6.088 1.00 31.50 H new ATOM 0 HB THR A 105 -10.133 5.567 -5.374 1.00 32.11 H new ATOM 0 HG1 THR A 105 -12.064 5.564 -4.046 1.00 5.13 H new ATOM 0 HG21 THR A 105 -10.013 6.203 -2.994 1.00 34.23 H new ATOM 0 HG22 THR A 105 -8.853 7.124 -3.981 1.00 34.23 H new ATOM 0 HG23 THR A 105 -10.362 7.892 -3.433 1.00 34.23 H new ATOM 1273 N PHE A 106 -9.606 6.034 -7.847 1.00 63.34 N ATOM 1274 CA PHE A 106 -9.603 5.308 -9.112 1.00 74.41 C ATOM 1275 C PHE A 106 -10.516 4.087 -9.040 1.00 23.31 C ATOM 1276 O PHE A 106 -11.271 3.918 -8.082 1.00 42.34 O ATOM 1277 CB PHE A 106 -8.181 4.875 -9.473 1.00 60.24 C ATOM 1278 CG PHE A 106 -7.191 6.005 -9.470 1.00 75.23 C ATOM 1279 CD1 PHE A 106 -7.036 6.810 -10.587 1.00 53.20 C ATOM 1280 CD2 PHE A 106 -6.417 6.262 -8.351 1.00 20.13 C ATOM 1281 CE1 PHE A 106 -6.126 7.850 -10.587 1.00 0.10 C ATOM 1282 CE2 PHE A 106 -5.505 7.301 -8.345 1.00 32.24 C ATOM 1283 CZ PHE A 106 -5.360 8.096 -9.464 1.00 54.50 C ATOM 0 H PHE A 106 -8.786 5.869 -7.264 1.00 63.34 H new ATOM 0 HA PHE A 106 -9.979 5.976 -9.887 1.00 74.41 H new ATOM 0 HB2 PHE A 106 -7.852 4.112 -8.767 1.00 60.24 H new ATOM 0 HB3 PHE A 106 -8.190 4.413 -10.460 1.00 60.24 H new ATOM 0 HD1 PHE A 106 -7.633 6.623 -11.467 1.00 53.20 H new ATOM 0 HD2 PHE A 106 -6.527 5.643 -7.473 1.00 20.13 H new ATOM 0 HE1 PHE A 106 -6.014 8.470 -11.464 1.00 0.10 H new ATOM 0 HE2 PHE A 106 -4.907 7.490 -7.466 1.00 32.24 H new ATOM 0 HZ PHE A 106 -4.649 8.909 -9.462 1.00 54.50 H new ATOM 1293 N SER A 107 -10.440 3.238 -10.060 1.00 72.10 N ATOM 1294 CA SER A 107 -11.262 2.034 -10.116 1.00 2.45 C ATOM 1295 C SER A 107 -10.566 0.938 -10.917 1.00 11.15 C ATOM 1296 O SER A 107 -9.405 1.077 -11.300 1.00 11.23 O ATOM 1297 CB SER A 107 -12.624 2.349 -10.737 1.00 1.51 C ATOM 1298 OG SER A 107 -13.680 1.879 -9.917 1.00 64.00 O ATOM 0 H SER A 107 -9.818 3.361 -10.859 1.00 72.10 H new ATOM 0 HA SER A 107 -11.410 1.677 -9.097 1.00 2.45 H new ATOM 0 HB2 SER A 107 -12.722 3.425 -10.880 1.00 1.51 H new ATOM 0 HB3 SER A 107 -12.693 1.889 -11.723 1.00 1.51 H new ATOM 0 HG SER A 107 -14.540 2.094 -10.335 1.00 64.00 H new ATOM 1304 N GLU A 108 -11.286 -0.152 -11.165 1.00 45.21 N ATOM 1305 CA GLU A 108 -10.737 -1.273 -11.920 1.00 12.44 C ATOM 1306 C GLU A 108 -11.364 -1.352 -13.309 1.00 1.03 C ATOM 1307 O GLU A 108 -12.583 -1.259 -13.459 1.00 63.34 O ATOM 1308 CB GLU A 108 -10.969 -2.585 -11.168 1.00 14.24 C ATOM 1309 CG GLU A 108 -12.435 -2.969 -11.052 1.00 10.34 C ATOM 1310 CD GLU A 108 -12.736 -3.747 -9.786 1.00 22.14 C ATOM 1311 OE1 GLU A 108 -11.791 -4.315 -9.199 1.00 71.32 O ATOM 1312 OE2 GLU A 108 -13.917 -3.788 -9.381 1.00 42.43 O ATOM 0 H GLU A 108 -12.249 -0.283 -10.855 1.00 45.21 H new ATOM 0 HA GLU A 108 -9.665 -1.112 -12.033 1.00 12.44 H new ATOM 0 HB2 GLU A 108 -10.432 -3.385 -11.677 1.00 14.24 H new ATOM 0 HB3 GLU A 108 -10.544 -2.501 -10.168 1.00 14.24 H new ATOM 0 HG2 GLU A 108 -13.046 -2.066 -11.073 1.00 10.34 H new ATOM 0 HG3 GLU A 108 -12.720 -3.567 -11.918 1.00 10.34 H new ATOM 1319 N THR A 109 -10.522 -1.524 -14.323 1.00 5.42 N ATOM 1320 CA THR A 109 -10.991 -1.614 -15.700 1.00 0.35 C ATOM 1321 C THR A 109 -10.435 -2.854 -16.390 1.00 11.10 C ATOM 1322 O THR A 109 -9.565 -2.774 -17.258 1.00 13.53 O ATOM 1323 CB THR A 109 -10.593 -0.366 -16.511 1.00 75.44 C ATOM 1324 OG1 THR A 109 -9.212 -0.060 -16.293 1.00 41.31 O ATOM 1325 CG2 THR A 109 -11.451 0.828 -16.122 1.00 51.35 C ATOM 0 H THR A 109 -9.511 -1.604 -14.216 1.00 5.42 H new ATOM 0 HA THR A 109 -12.078 -1.681 -15.660 1.00 0.35 H new ATOM 0 HB THR A 109 -10.754 -0.580 -17.568 1.00 75.44 H new ATOM 0 HG1 THR A 109 -8.662 -0.831 -16.547 1.00 41.31 H new ATOM 0 HG21 THR A 109 -11.152 1.697 -16.708 1.00 51.35 H new ATOM 0 HG22 THR A 109 -12.499 0.602 -16.318 1.00 51.35 H new ATOM 0 HG23 THR A 109 -11.318 1.042 -15.061 1.00 51.35 H new ATOM 1333 N PRO A 110 -10.948 -4.030 -15.998 1.00 44.14 N ATOM 1334 CA PRO A 110 -10.517 -5.310 -16.569 1.00 34.15 C ATOM 1335 C PRO A 110 -10.971 -5.482 -18.014 1.00 62.52 C ATOM 1336 O PRO A 110 -11.639 -4.613 -18.572 1.00 11.52 O ATOM 1337 CB PRO A 110 -11.196 -6.345 -15.668 1.00 71.31 C ATOM 1338 CG PRO A 110 -12.387 -5.643 -15.114 1.00 52.31 C ATOM 1339 CD PRO A 110 -11.987 -4.200 -14.969 1.00 71.44 C ATOM 0 HA PRO A 110 -9.431 -5.398 -16.600 1.00 34.15 H new ATOM 0 HB2 PRO A 110 -11.486 -7.231 -16.232 1.00 71.31 H new ATOM 0 HB3 PRO A 110 -10.528 -6.677 -14.874 1.00 71.31 H new ATOM 0 HG2 PRO A 110 -13.245 -5.745 -15.779 1.00 52.31 H new ATOM 0 HG3 PRO A 110 -12.677 -6.066 -14.152 1.00 52.31 H new ATOM 0 HD2 PRO A 110 -12.831 -3.530 -15.135 1.00 71.44 H new ATOM 0 HD3 PRO A 110 -11.603 -3.988 -13.971 1.00 71.44 H new ATOM 1347 N GLN A 111 -10.603 -6.610 -18.614 1.00 52.14 N ATOM 1348 CA GLN A 111 -10.973 -6.895 -19.996 1.00 22.03 C ATOM 1349 C GLN A 111 -11.435 -8.340 -20.148 1.00 61.44 C ATOM 1350 O GLN A 111 -11.108 -9.006 -21.131 1.00 20.54 O ATOM 1351 CB GLN A 111 -9.791 -6.624 -20.928 1.00 51.34 C ATOM 1352 CG GLN A 111 -8.549 -7.432 -20.588 1.00 13.31 C ATOM 1353 CD GLN A 111 -7.272 -6.768 -21.065 1.00 75.54 C ATOM 1354 OE1 GLN A 111 -7.299 -5.901 -21.939 1.00 61.21 O ATOM 1355 NE2 GLN A 111 -6.145 -7.174 -20.493 1.00 42.41 N ATOM 0 H GLN A 111 -10.050 -7.340 -18.166 1.00 52.14 H new ATOM 0 HA GLN A 111 -11.799 -6.238 -20.268 1.00 22.03 H new ATOM 0 HB2 GLN A 111 -10.089 -6.846 -21.953 1.00 51.34 H new ATOM 0 HB3 GLN A 111 -9.545 -5.563 -20.890 1.00 51.34 H new ATOM 0 HG2 GLN A 111 -8.498 -7.576 -19.509 1.00 13.31 H new ATOM 0 HG3 GLN A 111 -8.629 -8.422 -21.038 1.00 13.31 H new ATOM 0 HE21 GLN A 111 -6.170 -7.896 -19.772 1.00 42.41 H new ATOM 0 HE22 GLN A 111 -5.254 -6.764 -20.774 1.00 42.41 H new ATOM 1364 N SER A 112 -12.197 -8.819 -19.170 1.00 63.41 N ATOM 1365 CA SER A 112 -12.700 -10.188 -19.194 1.00 15.43 C ATOM 1366 C SER A 112 -14.084 -10.246 -19.834 1.00 70.12 C ATOM 1367 O SER A 112 -14.480 -11.272 -20.387 1.00 40.32 O ATOM 1368 CB SER A 112 -12.758 -10.757 -17.775 1.00 13.21 C ATOM 1369 OG SER A 112 -11.548 -10.516 -17.079 1.00 3.21 O ATOM 0 H SER A 112 -12.480 -8.280 -18.351 1.00 63.41 H new ATOM 0 HA SER A 112 -12.016 -10.790 -19.792 1.00 15.43 H new ATOM 0 HB2 SER A 112 -13.589 -10.306 -17.233 1.00 13.21 H new ATOM 0 HB3 SER A 112 -12.949 -11.829 -17.817 1.00 13.21 H new ATOM 0 HG SER A 112 -11.611 -10.888 -16.174 1.00 3.21 H new ATOM 1375 N GLN A 113 -14.813 -9.138 -19.754 1.00 75.02 N ATOM 1376 CA GLN A 113 -16.153 -9.063 -20.325 1.00 71.01 C ATOM 1377 C GLN A 113 -16.149 -9.509 -21.783 1.00 71.34 C ATOM 1378 O GLN A 113 -17.029 -10.252 -22.219 1.00 31.24 O ATOM 1379 CB GLN A 113 -16.697 -7.638 -20.217 1.00 53.51 C ATOM 1380 CG GLN A 113 -15.791 -6.591 -20.845 1.00 60.11 C ATOM 1381 CD GLN A 113 -16.152 -5.180 -20.426 1.00 5.50 C ATOM 1382 OE1 GLN A 113 -17.036 -4.973 -19.595 1.00 33.23 O ATOM 1383 NE2 GLN A 113 -15.466 -4.198 -21.000 1.00 52.14 N ATOM 0 H GLN A 113 -14.499 -8.280 -19.300 1.00 75.02 H new ATOM 0 HA GLN A 113 -16.799 -9.735 -19.760 1.00 71.01 H new ATOM 0 HB2 GLN A 113 -17.675 -7.594 -20.696 1.00 53.51 H new ATOM 0 HB3 GLN A 113 -16.846 -7.394 -19.165 1.00 53.51 H new ATOM 0 HG2 GLN A 113 -14.758 -6.796 -20.566 1.00 60.11 H new ATOM 0 HG3 GLN A 113 -15.849 -6.670 -21.931 1.00 60.11 H new ATOM 0 HE21 GLN A 113 -14.741 -4.414 -21.684 1.00 52.14 H new ATOM 0 HE22 GLN A 113 -15.664 -3.227 -20.756 1.00 52.14 H new ATOM 1392 N VAL A 114 -15.153 -9.051 -22.535 1.00 1.02 N ATOM 1393 CA VAL A 114 -15.034 -9.404 -23.944 1.00 42.55 C ATOM 1394 C VAL A 114 -14.852 -10.907 -24.122 1.00 11.24 C ATOM 1395 O VAL A 114 -14.341 -11.589 -23.234 1.00 60.33 O ATOM 1396 CB VAL A 114 -13.851 -8.673 -24.608 1.00 11.12 C ATOM 1397 CG1 VAL A 114 -14.015 -7.166 -24.481 1.00 32.01 C ATOM 1398 CG2 VAL A 114 -12.534 -9.127 -23.997 1.00 33.44 C ATOM 0 H VAL A 114 -14.417 -8.434 -22.191 1.00 1.02 H new ATOM 0 HA VAL A 114 -15.961 -9.094 -24.426 1.00 42.55 H new ATOM 0 HB VAL A 114 -13.840 -8.925 -25.668 1.00 11.12 H new ATOM 0 HG11 VAL A 114 -13.170 -6.667 -24.956 1.00 32.01 H new ATOM 0 HG12 VAL A 114 -14.940 -6.858 -24.969 1.00 32.01 H new ATOM 0 HG13 VAL A 114 -14.053 -6.892 -23.427 1.00 32.01 H new ATOM 0 HG21 VAL A 114 -11.709 -8.601 -24.478 1.00 33.44 H new ATOM 0 HG22 VAL A 114 -12.533 -8.906 -22.930 1.00 33.44 H new ATOM 0 HG23 VAL A 114 -12.415 -10.200 -24.145 1.00 33.44 H new ATOM 1408 N ALA A 115 -15.274 -11.417 -25.274 1.00 41.52 N ATOM 1409 CA ALA A 115 -15.155 -12.839 -25.569 1.00 74.03 C ATOM 1410 C ALA A 115 -13.695 -13.244 -25.741 1.00 75.30 C ATOM 1411 O ALA A 115 -13.306 -14.358 -25.391 1.00 74.15 O ATOM 1412 CB ALA A 115 -15.952 -13.187 -26.818 1.00 33.22 C ATOM 0 H ALA A 115 -15.702 -10.866 -26.018 1.00 41.52 H new ATOM 0 HA ALA A 115 -15.562 -13.395 -24.725 1.00 74.03 H new ATOM 0 HB1 ALA A 115 -15.854 -14.252 -27.027 1.00 33.22 H new ATOM 0 HB2 ALA A 115 -17.002 -12.943 -26.659 1.00 33.22 H new ATOM 0 HB3 ALA A 115 -15.571 -12.615 -27.664 1.00 33.22 H new ATOM 1418 N GLU A 116 -12.893 -12.333 -26.282 1.00 63.21 N ATOM 1419 CA GLU A 116 -11.476 -12.598 -26.501 1.00 63.12 C ATOM 1420 C GLU A 116 -10.805 -13.070 -25.214 1.00 50.21 C ATOM 1421 O GLU A 116 -9.842 -13.836 -25.248 1.00 72.32 O ATOM 1422 CB GLU A 116 -10.774 -11.343 -27.024 1.00 53.13 C ATOM 1423 CG GLU A 116 -9.625 -11.639 -27.974 1.00 14.43 C ATOM 1424 CD GLU A 116 -10.084 -11.811 -29.409 1.00 20.44 C ATOM 1425 OE1 GLU A 116 -10.479 -12.938 -29.774 1.00 64.14 O ATOM 1426 OE2 GLU A 116 -10.048 -10.819 -30.166 1.00 13.32 O ATOM 0 H GLU A 116 -13.200 -11.406 -26.576 1.00 63.21 H new ATOM 0 HA GLU A 116 -11.392 -13.390 -27.246 1.00 63.12 H new ATOM 0 HB2 GLU A 116 -11.504 -10.715 -27.535 1.00 53.13 H new ATOM 0 HB3 GLU A 116 -10.396 -10.769 -26.178 1.00 53.13 H new ATOM 0 HG2 GLU A 116 -8.899 -10.828 -27.924 1.00 14.43 H new ATOM 0 HG3 GLU A 116 -9.114 -12.545 -27.649 1.00 14.43 H new ATOM 1433 N ASP A 117 -11.320 -12.606 -24.081 1.00 55.32 N ATOM 1434 CA ASP A 117 -10.773 -12.980 -22.782 1.00 42.44 C ATOM 1435 C ASP A 117 -9.282 -12.665 -22.710 1.00 41.23 C ATOM 1436 O ASP A 117 -8.773 -11.846 -23.477 1.00 4.35 O ATOM 1437 CB ASP A 117 -11.006 -14.467 -22.516 1.00 31.52 C ATOM 1438 CG ASP A 117 -10.760 -14.842 -21.068 1.00 4.24 C ATOM 1439 OD1 ASP A 117 -11.388 -14.227 -20.181 1.00 75.21 O ATOM 1440 OD2 ASP A 117 -9.937 -15.749 -20.821 1.00 11.25 O ATOM 0 H ASP A 117 -12.116 -11.970 -24.036 1.00 55.32 H new ATOM 0 HA ASP A 117 -11.287 -12.398 -22.017 1.00 42.44 H new ATOM 0 HB2 ASP A 117 -12.030 -14.725 -22.786 1.00 31.52 H new ATOM 0 HB3 ASP A 117 -10.349 -15.055 -23.157 1.00 31.52 H new TER 1445 ASP A 117