USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 853 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 102 THR OG1 : rot -81:sc= 0.702 USER MOD Set 1.2: A 103 THR OG1 : rot 96:sc= 1.62 USER MOD Set 2.1: A 39 SER OG : rot 64:sc= 1.08 USER MOD Set 2.2: A 63 SER OG : rot -90:sc= 2.12 USER MOD Set 2.3: A 65 THR OG1 : rot 129:sc= 2.09 USER MOD Set 3.1: A 24 THR OG1 : rot 167:sc= 1.14 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -125:sc= 1.98 (180deg=-0.128) USER MOD Set 3.3: A 33 SER OG : rot 94:sc= 2.87 USER MOD Set 3.4: A 36 GLN : amide:sc= 1.03 K(o=7,f=-3.9) USER MOD Set 4.1: A 30 THR OG1 : rot 40:sc= 1.02 USER MOD Set 4.2: A 91 SER OG : rot 139:sc= 0.377 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -160:sc= 3.42 (180deg=0.866) USER MOD Set 5.2: A 20 SER OG : rot 50:sc= 2.24 USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.14) USER MOD Single : A 6 SER OG : rot 180:sc= 0.039 USER MOD Single : A 7 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.2!) USER MOD Single : A 9 SER OG : rot 84:sc= 0.849 USER MOD Single : A 11 ASN : amide:sc= 0.445 K(o=0.45,f=-1.2) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 2.38 (180deg=2.32) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= 1.19 (180deg=1.14) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -162:sc= 1 USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= 1.22 (180deg=-0.283!) USER MOD Single : A 29 SER OG : rot -121:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 1.21 (180deg=1.02) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 1.07 (180deg=1.04) USER MOD Single : A 47 ASN : amide:sc= 1.33 K(o=1.3,f=-9.6!) USER MOD Single : A 48 THR OG1 : rot 97:sc= 1.32 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0.888 (180deg=0.165) USER MOD Single : A 54 SER OG : rot 53:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 144:sc= 1.58 USER MOD Single : A 61 MET CE :methyl 168:sc= 0 (180deg=-0.173) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 1.72 (180deg=0.661) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 3.51 (180deg=3.28) USER MOD Single : A 68 TYR OH : rot 115:sc= 0.913 USER MOD Single : A 69 TYR OH : rot -174:sc= 0.952 USER MOD Single : A 71 GLN :FLIP amide:sc= 0.851 F(o=-0.55,f=0.85) USER MOD Single : A 74 ASN : amide:sc= 0.636 K(o=0.64,f=-0.05) USER MOD Single : A 75 ASN : amide:sc= 2.72 K(o=2.7,f=-7.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.841 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 2.36 (180deg=0.939) USER MOD Single : A 98 SER OG : rot 52:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 13.795 -0.080 -14.719 1.00 0.00 N ATOM 2 CA ALA A 2 14.415 1.121 -15.310 1.00 0.00 C ATOM 3 C ALA A 2 13.862 1.330 -16.719 1.00 0.00 C ATOM 4 O ALA A 2 13.659 0.335 -17.417 1.00 0.00 O ATOM 5 CB ALA A 2 15.944 1.005 -15.314 1.00 0.00 C ATOM 0 HA ALA A 2 14.166 1.992 -14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.376 1.903 -15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.303 0.894 -14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.241 0.135 -15.899 1.00 0.00 H new ATOM 13 N PRO A 3 13.570 2.579 -17.130 1.00 0.00 N ATOM 14 CA PRO A 3 12.822 2.870 -18.352 1.00 0.00 C ATOM 15 C PRO A 3 13.648 2.707 -19.647 1.00 0.00 C ATOM 16 O PRO A 3 13.901 3.664 -20.374 1.00 0.00 O ATOM 17 CB PRO A 3 12.265 4.281 -18.152 1.00 0.00 C ATOM 18 CG PRO A 3 13.329 4.949 -17.284 1.00 0.00 C ATOM 19 CD PRO A 3 13.769 3.807 -16.366 1.00 0.00 C ATOM 0 HA PRO A 3 12.022 2.146 -18.502 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.133 4.801 -19.101 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.293 4.265 -17.659 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.157 5.333 -17.880 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.925 5.790 -16.721 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.813 3.921 -16.075 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.181 3.795 -15.448 1.00 0.00 H new ATOM 27 N VAL A 4 14.049 1.468 -19.955 1.00 0.00 N ATOM 28 CA VAL A 4 14.838 1.099 -21.145 1.00 0.00 C ATOM 29 C VAL A 4 14.095 1.311 -22.479 1.00 0.00 C ATOM 30 O VAL A 4 14.728 1.531 -23.507 1.00 0.00 O ATOM 31 CB VAL A 4 15.353 -0.349 -20.990 1.00 0.00 C ATOM 32 CG1 VAL A 4 14.236 -1.403 -21.061 1.00 0.00 C ATOM 33 CG2 VAL A 4 16.439 -0.697 -22.014 1.00 0.00 C ATOM 0 H VAL A 4 13.828 0.665 -19.366 1.00 0.00 H new ATOM 0 HA VAL A 4 15.686 1.781 -21.197 1.00 0.00 H new ATOM 0 HB VAL A 4 15.785 -0.379 -19.990 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.666 -2.398 -20.945 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.516 -1.224 -20.263 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.733 -1.336 -22.026 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.767 -1.725 -21.862 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.037 -0.590 -23.021 1.00 0.00 H new ATOM 0 HG23 VAL A 4 17.287 -0.024 -21.888 1.00 0.00 H new ATOM 43 N LYS A 5 12.755 1.272 -22.472 1.00 0.00 N ATOM 44 CA LYS A 5 11.883 1.667 -23.587 1.00 0.00 C ATOM 45 C LYS A 5 11.543 3.152 -23.410 1.00 0.00 C ATOM 46 O LYS A 5 10.812 3.500 -22.478 1.00 0.00 O ATOM 47 CB LYS A 5 10.619 0.785 -23.652 1.00 0.00 C ATOM 48 CG LYS A 5 10.881 -0.732 -23.593 1.00 0.00 C ATOM 49 CD LYS A 5 11.519 -1.296 -24.872 1.00 0.00 C ATOM 50 CE LYS A 5 12.052 -2.728 -24.700 1.00 0.00 C ATOM 51 NZ LYS A 5 11.075 -3.633 -24.047 1.00 0.00 N ATOM 0 H LYS A 5 12.229 0.952 -21.659 1.00 0.00 H new ATOM 0 HA LYS A 5 12.395 1.521 -24.538 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.961 1.057 -22.827 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.084 1.011 -24.574 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.533 -0.947 -22.746 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.939 -1.248 -23.409 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.782 -1.283 -25.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.337 -0.645 -25.180 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.317 -3.132 -25.677 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.967 -2.701 -24.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.482 -4.587 -23.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.853 -3.276 -23.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.204 -3.671 -24.614 1.00 0.00 H new ATOM 65 N SER A 6 12.147 4.000 -24.247 1.00 0.00 N ATOM 66 CA SER A 6 12.376 5.434 -24.049 1.00 0.00 C ATOM 67 C SER A 6 11.214 6.209 -23.405 1.00 0.00 C ATOM 68 O SER A 6 10.065 6.129 -23.839 1.00 0.00 O ATOM 69 CB SER A 6 12.802 6.058 -25.379 1.00 0.00 C ATOM 70 OG SER A 6 13.815 5.276 -25.986 1.00 0.00 O ATOM 0 H SER A 6 12.514 3.680 -25.143 1.00 0.00 H new ATOM 0 HA SER A 6 13.174 5.518 -23.311 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.943 6.133 -26.045 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.166 7.072 -25.213 1.00 0.00 H new ATOM 0 HG SER A 6 14.078 5.685 -26.837 1.00 0.00 H new ATOM 76 N GLN A 7 11.555 6.946 -22.344 1.00 0.00 N ATOM 77 CA GLN A 7 10.696 7.607 -21.354 1.00 0.00 C ATOM 78 C GLN A 7 9.524 8.376 -21.980 1.00 0.00 C ATOM 79 O GLN A 7 8.359 8.041 -21.791 1.00 0.00 O ATOM 80 CB GLN A 7 11.540 8.567 -20.479 1.00 0.00 C ATOM 81 CG GLN A 7 12.856 8.007 -19.914 1.00 0.00 C ATOM 82 CD GLN A 7 14.084 8.022 -20.842 1.00 0.00 C ATOM 83 OE1 GLN A 7 15.145 7.579 -20.444 1.00 0.00 O ATOM 84 NE2 GLN A 7 14.043 8.479 -22.085 1.00 0.00 N ATOM 0 H GLN A 7 12.539 7.112 -22.135 1.00 0.00 H new ATOM 0 HA GLN A 7 10.263 6.815 -20.743 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.773 9.452 -21.071 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.923 8.897 -19.643 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.105 8.572 -19.015 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.679 6.977 -19.604 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.174 8.859 -22.460 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.880 8.450 -22.667 1.00 0.00 H new ATOM 93 N GLU A 8 9.862 9.426 -22.723 1.00 0.00 N ATOM 94 CA GLU A 8 8.999 10.309 -23.496 1.00 0.00 C ATOM 95 C GLU A 8 8.125 9.555 -24.509 1.00 0.00 C ATOM 96 O GLU A 8 6.958 9.894 -24.683 1.00 0.00 O ATOM 97 CB GLU A 8 9.890 11.386 -24.156 1.00 0.00 C ATOM 98 CG GLU A 8 10.869 10.929 -25.264 1.00 0.00 C ATOM 99 CD GLU A 8 11.631 9.633 -24.946 1.00 0.00 C ATOM 100 OE1 GLU A 8 12.326 9.577 -23.897 1.00 0.00 O ATOM 101 OE2 GLU A 8 11.372 8.639 -25.667 1.00 0.00 O ATOM 0 H GLU A 8 10.840 9.705 -22.806 1.00 0.00 H new ATOM 0 HA GLU A 8 8.281 10.788 -22.830 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.236 12.149 -24.580 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.473 11.866 -23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.311 10.789 -26.190 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.591 11.725 -25.444 1.00 0.00 H new ATOM 108 N SER A 9 8.667 8.506 -25.134 1.00 0.00 N ATOM 109 CA SER A 9 8.009 7.680 -26.141 1.00 0.00 C ATOM 110 C SER A 9 6.901 6.829 -25.514 1.00 0.00 C ATOM 111 O SER A 9 5.759 6.891 -25.976 1.00 0.00 O ATOM 112 CB SER A 9 9.045 6.810 -26.870 1.00 0.00 C ATOM 113 OG SER A 9 10.094 7.593 -27.416 1.00 0.00 O ATOM 0 H SER A 9 9.620 8.198 -24.940 1.00 0.00 H new ATOM 0 HA SER A 9 7.537 8.333 -26.875 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.460 6.079 -26.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.555 6.251 -27.667 1.00 0.00 H new ATOM 0 HG SER A 9 10.770 7.760 -26.727 1.00 0.00 H new ATOM 119 N ILE A 10 7.200 6.079 -24.436 1.00 0.00 N ATOM 120 CA ILE A 10 6.165 5.378 -23.658 1.00 0.00 C ATOM 121 C ILE A 10 5.159 6.375 -23.073 1.00 0.00 C ATOM 122 O ILE A 10 3.960 6.143 -23.205 1.00 0.00 O ATOM 123 CB ILE A 10 6.755 4.381 -22.624 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.686 3.487 -21.941 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.674 5.012 -21.573 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.931 4.060 -20.732 1.00 0.00 C ATOM 0 H ILE A 10 8.149 5.944 -24.086 1.00 0.00 H new ATOM 0 HA ILE A 10 5.604 4.740 -24.341 1.00 0.00 H new ATOM 0 HB ILE A 10 7.384 3.740 -23.241 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.949 3.213 -22.696 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.175 2.566 -21.623 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.037 4.239 -20.896 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.521 5.487 -22.068 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.119 5.759 -21.006 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.219 3.321 -20.364 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.641 4.305 -19.942 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.396 4.961 -21.031 1.00 0.00 H new ATOM 138 N ASN A 11 5.610 7.498 -22.498 1.00 0.00 N ATOM 139 CA ASN A 11 4.753 8.556 -21.948 1.00 0.00 C ATOM 140 C ASN A 11 3.729 9.063 -22.982 1.00 0.00 C ATOM 141 O ASN A 11 2.520 8.967 -22.758 1.00 0.00 O ATOM 142 CB ASN A 11 5.668 9.674 -21.416 1.00 0.00 C ATOM 143 CG ASN A 11 4.952 10.680 -20.537 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.069 11.407 -20.960 1.00 0.00 O ATOM 145 ND2 ASN A 11 5.328 10.727 -19.277 1.00 0.00 N ATOM 0 H ASN A 11 6.605 7.700 -22.400 1.00 0.00 H new ATOM 0 HA ASN A 11 4.151 8.164 -21.128 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.484 9.225 -20.849 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.117 10.197 -22.261 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.879 11.380 -18.635 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.069 10.111 -18.942 1.00 0.00 H new ATOM 152 N GLN A 12 4.219 9.535 -24.137 1.00 0.00 N ATOM 153 CA GLN A 12 3.407 9.987 -25.263 1.00 0.00 C ATOM 154 C GLN A 12 2.448 8.890 -25.735 1.00 0.00 C ATOM 155 O GLN A 12 1.244 9.137 -25.819 1.00 0.00 O ATOM 156 CB GLN A 12 4.331 10.459 -26.398 1.00 0.00 C ATOM 157 CG GLN A 12 3.557 11.064 -27.580 1.00 0.00 C ATOM 158 CD GLN A 12 4.481 11.419 -28.742 1.00 0.00 C ATOM 159 OE1 GLN A 12 4.423 10.829 -29.808 1.00 0.00 O ATOM 160 NE2 GLN A 12 5.361 12.389 -28.584 1.00 0.00 N ATOM 0 H GLN A 12 5.221 9.613 -24.313 1.00 0.00 H new ATOM 0 HA GLN A 12 2.788 10.825 -24.942 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.029 11.200 -26.008 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.925 9.616 -26.751 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.801 10.356 -27.920 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.029 11.959 -27.249 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.416 12.888 -27.696 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.986 12.640 -29.350 1.00 0.00 H new ATOM 169 N LYS A 13 2.957 7.680 -26.033 1.00 0.00 N ATOM 170 CA LYS A 13 2.107 6.585 -26.512 1.00 0.00 C ATOM 171 C LYS A 13 1.053 6.181 -25.475 1.00 0.00 C ATOM 172 O LYS A 13 -0.072 5.875 -25.856 1.00 0.00 O ATOM 173 CB LYS A 13 2.953 5.396 -26.998 1.00 0.00 C ATOM 174 CG LYS A 13 2.078 4.416 -27.804 1.00 0.00 C ATOM 175 CD LYS A 13 2.889 3.305 -28.483 1.00 0.00 C ATOM 176 CE LYS A 13 1.927 2.409 -29.273 1.00 0.00 C ATOM 177 NZ LYS A 13 2.641 1.358 -30.029 1.00 0.00 N ATOM 0 H LYS A 13 3.945 7.441 -25.950 1.00 0.00 H new ATOM 0 HA LYS A 13 1.551 6.950 -27.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.776 5.754 -27.617 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.396 4.882 -26.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.341 3.965 -27.139 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.526 4.971 -28.563 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.637 3.736 -29.148 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.426 2.719 -27.737 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.219 1.944 -28.587 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.347 3.021 -29.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.017 0.978 -30.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.492 1.764 -30.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.917 0.592 -29.382 1.00 0.00 H new ATOM 191 N LEU A 14 1.363 6.222 -24.176 1.00 0.00 N ATOM 192 CA LEU A 14 0.402 5.921 -23.118 1.00 0.00 C ATOM 193 C LEU A 14 -0.691 6.994 -22.987 1.00 0.00 C ATOM 194 O LEU A 14 -1.852 6.634 -22.816 1.00 0.00 O ATOM 195 CB LEU A 14 1.144 5.646 -21.804 1.00 0.00 C ATOM 196 CG LEU A 14 0.228 4.966 -20.766 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.022 3.933 -19.978 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.371 5.960 -19.773 1.00 0.00 C ATOM 0 H LEU A 14 2.291 6.466 -23.830 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.137 5.014 -23.390 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.008 5.011 -21.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.523 6.583 -21.397 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.586 4.501 -21.323 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.371 3.455 -19.246 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.416 3.179 -20.660 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.848 4.424 -19.463 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.007 5.429 -19.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.431 6.463 -19.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.965 6.699 -20.311 1.00 0.00 H new ATOM 210 N ALA A 15 -0.376 8.289 -23.128 1.00 0.00 N ATOM 211 CA ALA A 15 -1.429 9.307 -23.222 1.00 0.00 C ATOM 212 C ALA A 15 -2.264 9.154 -24.509 1.00 0.00 C ATOM 213 O ALA A 15 -3.497 9.204 -24.461 1.00 0.00 O ATOM 214 CB ALA A 15 -0.831 10.709 -23.113 1.00 0.00 C ATOM 0 H ALA A 15 0.577 8.650 -23.178 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.109 9.158 -22.383 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.627 11.451 -23.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.322 10.814 -22.155 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.117 10.864 -23.922 1.00 0.00 H new ATOM 220 N LEU A 16 -1.602 8.896 -25.649 1.00 0.00 N ATOM 221 CA LEU A 16 -2.235 8.555 -26.929 1.00 0.00 C ATOM 222 C LEU A 16 -3.163 7.340 -26.788 1.00 0.00 C ATOM 223 O LEU A 16 -4.210 7.317 -27.423 1.00 0.00 O ATOM 224 CB LEU A 16 -1.125 8.359 -27.983 1.00 0.00 C ATOM 225 CG LEU A 16 -1.542 8.219 -29.464 1.00 0.00 C ATOM 226 CD1 LEU A 16 -0.289 8.378 -30.330 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.102 6.842 -29.834 1.00 0.00 C ATOM 0 H LEU A 16 -0.584 8.920 -25.705 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.881 9.367 -27.261 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.441 9.205 -27.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.560 7.467 -27.710 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.314 8.971 -29.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.559 8.283 -31.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.151 9.360 -30.156 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.434 7.605 -30.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.370 6.830 -30.891 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.348 6.079 -29.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.988 6.636 -29.233 1.00 0.00 H new ATOM 239 N VAL A 17 -2.829 6.368 -25.934 1.00 0.00 N ATOM 240 CA VAL A 17 -3.684 5.245 -25.526 1.00 0.00 C ATOM 241 C VAL A 17 -4.838 5.686 -24.622 1.00 0.00 C ATOM 242 O VAL A 17 -5.983 5.362 -24.915 1.00 0.00 O ATOM 243 CB VAL A 17 -2.811 4.165 -24.862 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.578 3.129 -24.035 1.00 0.00 C ATOM 245 CG2 VAL A 17 -1.983 3.440 -25.926 1.00 0.00 C ATOM 0 H VAL A 17 -1.913 6.340 -25.486 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.156 4.826 -26.415 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.178 4.704 -24.157 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.876 2.412 -23.609 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.117 3.631 -23.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.288 2.605 -24.675 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.367 2.677 -25.450 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.650 2.970 -26.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.341 4.157 -26.438 1.00 0.00 H new ATOM 255 N ILE A 18 -4.574 6.428 -23.543 1.00 0.00 N ATOM 256 CA ILE A 18 -5.587 6.927 -22.593 1.00 0.00 C ATOM 257 C ILE A 18 -6.687 7.787 -23.258 1.00 0.00 C ATOM 258 O ILE A 18 -7.816 7.809 -22.767 1.00 0.00 O ATOM 259 CB ILE A 18 -4.859 7.575 -21.390 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.348 6.425 -20.485 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.780 8.519 -20.618 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.707 6.863 -19.168 1.00 0.00 C ATOM 0 H ILE A 18 -3.626 6.709 -23.294 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.171 6.093 -22.204 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.025 8.184 -21.740 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.184 5.763 -20.260 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.620 5.839 -21.047 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.235 8.955 -19.781 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.125 9.313 -21.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.638 7.963 -20.242 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.384 5.984 -18.610 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.846 7.498 -19.376 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.434 7.420 -18.577 1.00 0.00 H new ATOM 274 N LYS A 19 -6.422 8.366 -24.436 1.00 0.00 N ATOM 275 CA LYS A 19 -7.413 8.913 -25.386 1.00 0.00 C ATOM 276 C LYS A 19 -8.590 7.963 -25.689 1.00 0.00 C ATOM 277 O LYS A 19 -9.688 8.422 -25.994 1.00 0.00 O ATOM 278 CB LYS A 19 -6.645 9.176 -26.691 1.00 0.00 C ATOM 279 CG LYS A 19 -7.408 9.822 -27.856 1.00 0.00 C ATOM 280 CD LYS A 19 -6.506 10.003 -29.097 1.00 0.00 C ATOM 281 CE LYS A 19 -6.444 8.828 -30.095 1.00 0.00 C ATOM 282 NZ LYS A 19 -5.864 7.582 -29.541 1.00 0.00 N ATOM 0 H LYS A 19 -5.466 8.473 -24.774 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.859 9.805 -24.945 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.793 9.814 -26.455 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.244 8.225 -27.041 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.267 9.203 -28.117 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.797 10.791 -27.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.845 10.888 -29.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.493 10.208 -28.752 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.452 8.617 -30.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.857 9.134 -30.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.546 6.971 -30.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.054 7.817 -28.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.584 7.083 -28.981 1.00 0.00 H new ATOM 296 N SER A 20 -8.331 6.653 -25.698 1.00 0.00 N ATOM 297 CA SER A 20 -9.096 5.639 -26.439 1.00 0.00 C ATOM 298 C SER A 20 -8.932 4.219 -25.867 1.00 0.00 C ATOM 299 O SER A 20 -9.116 3.232 -26.584 1.00 0.00 O ATOM 300 CB SER A 20 -8.667 5.692 -27.914 1.00 0.00 C ATOM 301 OG SER A 20 -7.258 5.760 -28.039 1.00 0.00 O ATOM 0 H SER A 20 -7.555 6.252 -25.171 1.00 0.00 H new ATOM 0 HA SER A 20 -10.156 5.871 -26.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.038 4.809 -28.435 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.119 6.559 -28.395 1.00 0.00 H new ATOM 0 HG SER A 20 -6.847 5.059 -27.491 1.00 0.00 H new ATOM 307 N GLY A 21 -8.580 4.102 -24.582 1.00 0.00 N ATOM 308 CA GLY A 21 -8.349 2.824 -23.918 1.00 0.00 C ATOM 309 C GLY A 21 -8.699 2.841 -22.433 1.00 0.00 C ATOM 310 O GLY A 21 -8.586 3.870 -21.766 1.00 0.00 O ATOM 0 H GLY A 21 -8.447 4.907 -23.969 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.939 2.053 -24.414 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.301 2.547 -24.034 1.00 0.00 H new ATOM 314 N LYS A 22 -9.099 1.678 -21.908 1.00 0.00 N ATOM 315 CA LYS A 22 -9.482 1.487 -20.504 1.00 0.00 C ATOM 316 C LYS A 22 -8.244 1.352 -19.614 1.00 0.00 C ATOM 317 O LYS A 22 -7.510 0.366 -19.736 1.00 0.00 O ATOM 318 CB LYS A 22 -10.389 0.253 -20.348 1.00 0.00 C ATOM 319 CG LYS A 22 -11.709 0.385 -21.122 1.00 0.00 C ATOM 320 CD LYS A 22 -12.689 -0.725 -20.712 1.00 0.00 C ATOM 321 CE LYS A 22 -13.983 -0.687 -21.533 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.761 -1.146 -22.922 1.00 0.00 N ATOM 0 H LYS A 22 -9.167 0.823 -22.460 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.039 2.368 -20.186 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.855 -0.631 -20.696 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.606 0.098 -19.291 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.154 1.361 -20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.516 0.330 -22.193 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.209 -1.696 -20.838 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.929 -0.623 -19.654 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.735 -1.316 -21.057 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.378 0.329 -21.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.673 -1.399 -23.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.316 -0.384 -23.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.138 -1.979 -22.917 1.00 0.00 H new ATOM 336 N TYR A 23 -8.028 2.326 -18.721 1.00 0.00 N ATOM 337 CA TYR A 23 -6.933 2.339 -17.748 1.00 0.00 C ATOM 338 C TYR A 23 -7.400 2.349 -16.281 1.00 0.00 C ATOM 339 O TYR A 23 -8.572 2.570 -15.979 1.00 0.00 O ATOM 340 CB TYR A 23 -6.036 3.552 -18.053 1.00 0.00 C ATOM 341 CG TYR A 23 -6.689 4.902 -17.811 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.524 5.470 -18.793 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.462 5.586 -16.601 1.00 0.00 C ATOM 344 CE1 TYR A 23 -8.147 6.711 -18.566 1.00 0.00 C ATOM 345 CE2 TYR A 23 -7.075 6.833 -16.374 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.914 7.402 -17.355 1.00 0.00 C ATOM 347 OH TYR A 23 -8.485 8.618 -17.136 1.00 0.00 O ATOM 0 H TYR A 23 -8.628 3.148 -18.655 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.378 1.407 -17.855 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.136 3.484 -17.441 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.718 3.499 -19.094 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.687 4.950 -19.725 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.819 5.155 -15.848 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.801 7.134 -19.314 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.902 7.356 -15.445 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.220 8.950 -16.253 1.00 0.00 H new ATOM 357 N THR A 24 -6.451 2.126 -15.365 1.00 0.00 N ATOM 358 CA THR A 24 -6.586 2.201 -13.902 1.00 0.00 C ATOM 359 C THR A 24 -5.291 2.758 -13.276 1.00 0.00 C ATOM 360 O THR A 24 -4.241 2.762 -13.925 1.00 0.00 O ATOM 361 CB THR A 24 -6.968 0.822 -13.335 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.208 0.903 -11.948 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.887 -0.232 -13.585 1.00 0.00 C ATOM 0 H THR A 24 -5.503 1.871 -15.643 1.00 0.00 H new ATOM 0 HA THR A 24 -7.390 2.890 -13.643 1.00 0.00 H new ATOM 0 HB THR A 24 -7.874 0.516 -13.857 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.645 0.081 -11.643 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.205 -1.186 -13.166 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.727 -0.342 -14.658 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.957 0.081 -13.110 1.00 0.00 H new ATOM 371 N LEU A 25 -5.369 3.258 -12.035 1.00 0.00 N ATOM 372 CA LEU A 25 -4.350 4.105 -11.394 1.00 0.00 C ATOM 373 C LEU A 25 -4.218 3.825 -9.892 1.00 0.00 C ATOM 374 O LEU A 25 -5.236 3.627 -9.226 1.00 0.00 O ATOM 375 CB LEU A 25 -4.763 5.587 -11.540 1.00 0.00 C ATOM 376 CG LEU A 25 -4.886 6.128 -12.973 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.430 7.555 -12.943 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.533 6.162 -13.670 1.00 0.00 C ATOM 0 H LEU A 25 -6.169 3.079 -11.428 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.400 3.887 -11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.722 5.724 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.035 6.198 -11.006 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.559 5.464 -13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.515 7.933 -13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.412 7.560 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.751 8.191 -12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.654 6.549 -14.682 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.853 6.807 -13.113 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.121 5.154 -13.715 1.00 0.00 H new ATOM 390 N GLY A 26 -2.994 3.927 -9.352 1.00 0.00 N ATOM 391 CA GLY A 26 -2.694 3.875 -7.913 1.00 0.00 C ATOM 392 C GLY A 26 -2.655 2.451 -7.344 1.00 0.00 C ATOM 393 O GLY A 26 -3.199 1.537 -7.950 1.00 0.00 O ATOM 0 H GLY A 26 -2.159 4.052 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.732 4.355 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.444 4.452 -7.373 1.00 0.00 H new ATOM 397 N TYR A 27 -2.018 2.242 -6.182 1.00 0.00 N ATOM 398 CA TYR A 27 -1.576 0.914 -5.717 1.00 0.00 C ATOM 399 C TYR A 27 -2.700 -0.123 -5.498 1.00 0.00 C ATOM 400 O TYR A 27 -2.912 -0.983 -6.352 1.00 0.00 O ATOM 401 CB TYR A 27 -0.655 1.056 -4.492 1.00 0.00 C ATOM 402 CG TYR A 27 0.033 -0.247 -4.128 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.145 -0.682 -4.877 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.465 -1.055 -3.083 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.721 -1.935 -4.614 1.00 0.00 C ATOM 406 CE2 TYR A 27 0.128 -2.304 -2.813 1.00 0.00 C ATOM 407 CZ TYR A 27 1.218 -2.752 -3.585 1.00 0.00 C ATOM 408 OH TYR A 27 1.788 -3.962 -3.350 1.00 0.00 O ATOM 0 H TYR A 27 -1.792 2.995 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.007 0.487 -6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.099 1.817 -4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.239 1.405 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.554 -0.052 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.301 -0.715 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.557 -2.275 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.254 -2.920 -2.012 1.00 0.00 H new ATOM 0 HH TYR A 27 1.173 -4.517 -2.826 1.00 0.00 H new ATOM 418 N LYS A 28 -3.428 -0.102 -4.366 1.00 0.00 N ATOM 419 CA LYS A 28 -4.439 -1.144 -4.087 1.00 0.00 C ATOM 420 C LYS A 28 -5.633 -1.081 -5.061 1.00 0.00 C ATOM 421 O LYS A 28 -6.253 -2.100 -5.356 1.00 0.00 O ATOM 422 CB LYS A 28 -4.848 -1.135 -2.602 1.00 0.00 C ATOM 423 CG LYS A 28 -5.364 -2.508 -2.114 1.00 0.00 C ATOM 424 CD LYS A 28 -4.303 -3.437 -1.482 1.00 0.00 C ATOM 425 CE LYS A 28 -3.132 -3.806 -2.407 1.00 0.00 C ATOM 426 NZ LYS A 28 -2.271 -4.872 -1.831 1.00 0.00 N ATOM 0 H LYS A 28 -3.340 0.610 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.979 -2.115 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.992 -0.837 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.624 -0.385 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.154 -2.339 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.817 -3.026 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.904 -2.954 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.793 -4.355 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.523 -4.138 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.529 -2.918 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.286 -4.720 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.329 -4.842 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.595 -5.801 -2.169 1.00 0.00 H new ATOM 440 N SER A 29 -5.853 0.093 -5.650 1.00 0.00 N ATOM 441 CA SER A 29 -6.715 0.391 -6.797 1.00 0.00 C ATOM 442 C SER A 29 -6.402 -0.465 -8.032 1.00 0.00 C ATOM 443 O SER A 29 -7.274 -1.190 -8.537 1.00 0.00 O ATOM 444 CB SER A 29 -6.455 1.851 -7.141 1.00 0.00 C ATOM 445 OG SER A 29 -7.146 2.259 -8.292 1.00 0.00 O ATOM 0 H SER A 29 -5.392 0.936 -5.308 1.00 0.00 H new ATOM 0 HA SER A 29 -7.750 0.178 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.752 2.478 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.386 2.002 -7.289 1.00 0.00 H new ATOM 0 HG SER A 29 -6.506 2.580 -8.961 1.00 0.00 H new ATOM 451 N THR A 30 -5.162 -0.402 -8.541 1.00 0.00 N ATOM 452 CA THR A 30 -4.762 -1.282 -9.630 1.00 0.00 C ATOM 453 C THR A 30 -4.664 -2.725 -9.151 1.00 0.00 C ATOM 454 O THR A 30 -5.067 -3.576 -9.918 1.00 0.00 O ATOM 455 CB THR A 30 -3.505 -0.837 -10.382 1.00 0.00 C ATOM 456 OG1 THR A 30 -3.390 -1.595 -11.572 1.00 0.00 O ATOM 457 CG2 THR A 30 -2.231 -1.034 -9.582 1.00 0.00 C ATOM 0 H THR A 30 -4.437 0.239 -8.218 1.00 0.00 H new ATOM 0 HA THR A 30 -5.557 -1.214 -10.373 1.00 0.00 H new ATOM 0 HB THR A 30 -3.616 0.229 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.277 -1.710 -11.973 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.377 -0.700 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.287 -0.454 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.113 -2.090 -9.339 1.00 0.00 H new ATOM 465 N VAL A 31 -4.232 -3.040 -7.918 1.00 0.00 N ATOM 466 CA VAL A 31 -4.273 -4.430 -7.411 1.00 0.00 C ATOM 467 C VAL A 31 -5.674 -5.025 -7.562 1.00 0.00 C ATOM 468 O VAL A 31 -5.836 -6.044 -8.228 1.00 0.00 O ATOM 469 CB VAL A 31 -3.785 -4.527 -5.956 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.166 -5.858 -5.295 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.269 -4.322 -5.896 1.00 0.00 C ATOM 0 H VAL A 31 -3.853 -2.362 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.585 -5.017 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.285 -3.737 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.797 -5.874 -4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.251 -5.966 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.721 -6.682 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.933 -4.392 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.774 -5.089 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.019 -3.338 -6.292 1.00 0.00 H new ATOM 481 N LYS A 32 -6.691 -4.352 -7.014 1.00 0.00 N ATOM 482 CA LYS A 32 -8.112 -4.649 -7.211 1.00 0.00 C ATOM 483 C LYS A 32 -8.428 -4.824 -8.706 1.00 0.00 C ATOM 484 O LYS A 32 -8.977 -5.847 -9.114 1.00 0.00 O ATOM 485 CB LYS A 32 -8.887 -3.524 -6.490 1.00 0.00 C ATOM 486 CG LYS A 32 -10.428 -3.580 -6.516 1.00 0.00 C ATOM 487 CD LYS A 32 -11.112 -3.274 -7.863 1.00 0.00 C ATOM 488 CE LYS A 32 -10.599 -1.977 -8.506 1.00 0.00 C ATOM 489 NZ LYS A 32 -11.087 -1.812 -9.894 1.00 0.00 N ATOM 0 H LYS A 32 -6.540 -3.554 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.418 -5.602 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.570 -3.514 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.579 -2.573 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.737 -4.575 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.806 -2.875 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.945 -4.105 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.189 -3.198 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.918 -1.125 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.509 -1.978 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.278 -1.677 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.616 -2.661 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.711 -0.982 -9.946 1.00 0.00 H new ATOM 503 N SER A 33 -8.043 -3.846 -9.530 1.00 0.00 N ATOM 504 CA SER A 33 -8.301 -3.817 -10.978 1.00 0.00 C ATOM 505 C SER A 33 -7.592 -4.928 -11.778 1.00 0.00 C ATOM 506 O SER A 33 -8.085 -5.322 -12.829 1.00 0.00 O ATOM 507 CB SER A 33 -7.885 -2.462 -11.559 1.00 0.00 C ATOM 508 OG SER A 33 -8.403 -1.344 -10.842 1.00 0.00 O ATOM 0 H SER A 33 -7.529 -3.028 -9.202 1.00 0.00 H new ATOM 0 HA SER A 33 -9.373 -3.987 -11.080 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.797 -2.401 -11.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.219 -2.404 -12.595 1.00 0.00 H new ATOM 0 HG SER A 33 -7.743 -1.045 -10.182 1.00 0.00 H new ATOM 514 N LEU A 34 -6.455 -5.440 -11.296 1.00 0.00 N ATOM 515 CA LEU A 34 -5.685 -6.540 -11.887 1.00 0.00 C ATOM 516 C LEU A 34 -6.167 -7.899 -11.359 1.00 0.00 C ATOM 517 O LEU A 34 -6.152 -8.878 -12.100 1.00 0.00 O ATOM 518 CB LEU A 34 -4.190 -6.357 -11.567 1.00 0.00 C ATOM 519 CG LEU A 34 -3.541 -5.073 -12.119 1.00 0.00 C ATOM 520 CD1 LEU A 34 -2.211 -4.815 -11.408 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.328 -5.113 -13.619 1.00 0.00 C ATOM 0 H LEU A 34 -6.026 -5.082 -10.443 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.834 -6.522 -12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.065 -6.369 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.645 -7.215 -11.960 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.236 -4.257 -11.922 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.758 -3.906 -11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.387 -4.698 -10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.540 -5.657 -11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.868 -4.181 -13.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.675 -5.948 -13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.288 -5.239 -14.120 1.00 0.00 H new ATOM 533 N ARG A 35 -6.662 -7.963 -10.112 1.00 0.00 N ATOM 534 CA ARG A 35 -7.384 -9.121 -9.561 1.00 0.00 C ATOM 535 C ARG A 35 -8.737 -9.352 -10.255 1.00 0.00 C ATOM 536 O ARG A 35 -9.204 -10.484 -10.279 1.00 0.00 O ATOM 537 CB ARG A 35 -7.535 -8.975 -8.034 1.00 0.00 C ATOM 538 CG ARG A 35 -6.179 -9.134 -7.321 1.00 0.00 C ATOM 539 CD ARG A 35 -6.234 -8.775 -5.829 1.00 0.00 C ATOM 540 NE ARG A 35 -6.839 -9.849 -5.022 1.00 0.00 N ATOM 541 CZ ARG A 35 -6.292 -10.531 -4.018 1.00 0.00 C ATOM 542 NH1 ARG A 35 -5.068 -10.335 -3.577 1.00 0.00 N ATOM 543 NH2 ARG A 35 -6.997 -11.462 -3.417 1.00 0.00 N ATOM 0 H ARG A 35 -6.570 -7.196 -9.446 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.790 -10.013 -9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.959 -7.999 -7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.234 -9.724 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.838 -10.164 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.441 -8.501 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.225 -8.575 -5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.807 -7.857 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.797 -10.102 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.478 -9.625 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.710 -10.893 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.951 -11.655 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.590 -11.992 -2.646 1.00 0.00 H new ATOM 557 N GLN A 36 -9.308 -8.329 -10.909 1.00 0.00 N ATOM 558 CA GLN A 36 -10.360 -8.487 -11.930 1.00 0.00 C ATOM 559 C GLN A 36 -9.866 -9.141 -13.249 1.00 0.00 C ATOM 560 O GLN A 36 -10.664 -9.367 -14.157 1.00 0.00 O ATOM 561 CB GLN A 36 -11.034 -7.132 -12.219 1.00 0.00 C ATOM 562 CG GLN A 36 -11.831 -6.579 -11.028 1.00 0.00 C ATOM 563 CD GLN A 36 -12.428 -5.212 -11.347 1.00 0.00 C ATOM 564 OE1 GLN A 36 -11.885 -4.167 -11.002 1.00 0.00 O ATOM 565 NE2 GLN A 36 -13.567 -5.163 -12.013 1.00 0.00 N ATOM 0 H GLN A 36 -9.050 -7.356 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.088 -9.180 -11.508 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.270 -6.408 -12.503 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.702 -7.242 -13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.629 -7.275 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.180 -6.500 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.025 -6.027 -12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.989 -4.262 -12.237 1.00 0.00 H new ATOM 574 N GLY A 37 -8.572 -9.460 -13.384 1.00 0.00 N ATOM 575 CA GLY A 37 -7.994 -10.360 -14.391 1.00 0.00 C ATOM 576 C GLY A 37 -7.818 -9.777 -15.796 1.00 0.00 C ATOM 577 O GLY A 37 -6.816 -10.061 -16.448 1.00 0.00 O ATOM 0 H GLY A 37 -7.862 -9.077 -12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.020 -10.694 -14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.627 -11.245 -14.464 1.00 0.00 H new ATOM 581 N LYS A 38 -8.777 -8.976 -16.276 1.00 0.00 N ATOM 582 CA LYS A 38 -8.921 -8.529 -17.676 1.00 0.00 C ATOM 583 C LYS A 38 -7.884 -7.490 -18.169 1.00 0.00 C ATOM 584 O LYS A 38 -8.132 -6.801 -19.155 1.00 0.00 O ATOM 585 CB LYS A 38 -10.373 -8.048 -17.882 1.00 0.00 C ATOM 586 CG LYS A 38 -10.906 -8.439 -19.271 1.00 0.00 C ATOM 587 CD LYS A 38 -12.338 -7.928 -19.493 1.00 0.00 C ATOM 588 CE LYS A 38 -12.996 -8.572 -20.722 1.00 0.00 C ATOM 589 NZ LYS A 38 -12.290 -8.229 -21.976 1.00 0.00 N ATOM 0 H LYS A 38 -9.511 -8.602 -15.674 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.701 -9.391 -18.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.013 -8.479 -17.112 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.418 -6.965 -17.766 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.250 -8.031 -20.041 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.886 -9.524 -19.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.939 -8.138 -18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.321 -6.845 -19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.010 -9.655 -20.599 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.034 -8.245 -20.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.941 -8.334 -22.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.955 -7.246 -21.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.478 -8.866 -22.102 1.00 0.00 H new ATOM 603 N SER A 39 -6.749 -7.330 -17.483 1.00 0.00 N ATOM 604 CA SER A 39 -5.682 -6.386 -17.842 1.00 0.00 C ATOM 605 C SER A 39 -4.707 -6.928 -18.896 1.00 0.00 C ATOM 606 O SER A 39 -4.671 -8.133 -19.153 1.00 0.00 O ATOM 607 CB SER A 39 -4.915 -6.007 -16.578 1.00 0.00 C ATOM 608 OG SER A 39 -4.352 -7.151 -15.968 1.00 0.00 O ATOM 0 H SER A 39 -6.539 -7.866 -16.641 1.00 0.00 H new ATOM 0 HA SER A 39 -6.161 -5.516 -18.291 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.126 -5.297 -16.826 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.585 -5.508 -15.877 1.00 0.00 H new ATOM 0 HG SER A 39 -3.694 -7.554 -16.572 1.00 0.00 H new ATOM 614 N LYS A 40 -3.871 -6.039 -19.470 1.00 0.00 N ATOM 615 CA LYS A 40 -2.861 -6.426 -20.468 1.00 0.00 C ATOM 616 C LYS A 40 -1.491 -5.737 -20.330 1.00 0.00 C ATOM 617 O LYS A 40 -0.495 -6.327 -20.756 1.00 0.00 O ATOM 618 CB LYS A 40 -3.496 -6.231 -21.856 1.00 0.00 C ATOM 619 CG LYS A 40 -2.719 -6.878 -23.014 1.00 0.00 C ATOM 620 CD LYS A 40 -2.546 -8.405 -22.953 1.00 0.00 C ATOM 621 CE LYS A 40 -1.068 -8.796 -22.812 1.00 0.00 C ATOM 622 NZ LYS A 40 -0.261 -8.406 -23.998 1.00 0.00 N ATOM 0 H LYS A 40 -3.879 -5.042 -19.255 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.600 -7.471 -20.300 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.506 -6.641 -21.840 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.589 -5.163 -22.051 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.225 -6.629 -23.947 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.729 -6.424 -23.057 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.111 -8.803 -22.110 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.959 -8.856 -23.856 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.653 -8.322 -21.922 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.993 -9.873 -22.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.709 -8.766 -23.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.688 -8.810 -24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.239 -7.369 -24.077 1.00 0.00 H new ATOM 636 N LEU A 41 -1.387 -4.562 -19.689 1.00 0.00 N ATOM 637 CA LEU A 41 -0.109 -3.868 -19.442 1.00 0.00 C ATOM 638 C LEU A 41 -0.129 -3.107 -18.096 1.00 0.00 C ATOM 639 O LEU A 41 -1.051 -2.327 -17.872 1.00 0.00 O ATOM 640 CB LEU A 41 0.128 -2.993 -20.696 1.00 0.00 C ATOM 641 CG LEU A 41 1.232 -1.920 -20.745 1.00 0.00 C ATOM 642 CD1 LEU A 41 0.760 -0.606 -20.127 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.582 -2.337 -20.161 1.00 0.00 C ATOM 0 H LEU A 41 -2.196 -4.060 -19.323 1.00 0.00 H new ATOM 0 HA LEU A 41 0.733 -4.549 -19.317 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.316 -3.676 -21.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.813 -2.486 -20.908 1.00 0.00 H new ATOM 0 HG LEU A 41 1.418 -1.779 -21.810 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.563 0.129 -20.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.106 -0.236 -20.676 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.485 -0.772 -19.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.286 -1.509 -20.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.458 -2.602 -19.111 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.966 -3.197 -20.709 1.00 0.00 H new ATOM 655 N ILE A 42 0.870 -3.304 -17.214 1.00 0.00 N ATOM 656 CA ILE A 42 1.129 -2.474 -16.021 1.00 0.00 C ATOM 657 C ILE A 42 2.432 -1.666 -16.155 1.00 0.00 C ATOM 658 O ILE A 42 3.451 -2.167 -16.632 1.00 0.00 O ATOM 659 CB ILE A 42 1.108 -3.262 -14.682 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.327 -4.163 -14.379 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.162 -4.107 -14.519 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.308 -4.700 -12.940 1.00 0.00 C ATOM 0 H ILE A 42 1.539 -4.067 -17.315 1.00 0.00 H new ATOM 0 HA ILE A 42 0.290 -1.780 -15.978 1.00 0.00 H new ATOM 0 HB ILE A 42 1.141 -2.449 -13.956 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.341 -5.000 -15.077 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.244 -3.597 -14.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.127 -4.637 -13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.037 -3.457 -14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.226 -4.828 -15.334 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.184 -5.327 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.322 -3.865 -12.240 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.405 -5.289 -12.783 1.00 0.00 H new ATOM 674 N ILE A 43 2.398 -0.425 -15.666 1.00 0.00 N ATOM 675 CA ILE A 43 3.499 0.534 -15.580 1.00 0.00 C ATOM 676 C ILE A 43 3.741 0.859 -14.112 1.00 0.00 C ATOM 677 O ILE A 43 2.828 1.341 -13.446 1.00 0.00 O ATOM 678 CB ILE A 43 3.133 1.863 -16.267 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.608 1.735 -17.709 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.322 2.834 -16.220 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.568 1.063 -18.694 1.00 0.00 C ATOM 0 H ILE A 43 1.533 -0.035 -15.291 1.00 0.00 H new ATOM 0 HA ILE A 43 4.371 0.093 -16.062 1.00 0.00 H new ATOM 0 HB ILE A 43 2.294 2.255 -15.692 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.676 1.169 -17.691 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.369 2.731 -18.082 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.048 3.769 -16.709 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.589 3.033 -15.182 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.174 2.391 -16.735 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.106 1.021 -19.681 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.493 1.637 -18.750 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.789 0.052 -18.354 1.00 0.00 H new ATOM 693 N ILE A 44 4.966 0.676 -13.622 1.00 0.00 N ATOM 694 CA ILE A 44 5.334 0.997 -12.241 1.00 0.00 C ATOM 695 C ILE A 44 6.391 2.112 -12.271 1.00 0.00 C ATOM 696 O ILE A 44 7.542 1.863 -12.635 1.00 0.00 O ATOM 697 CB ILE A 44 5.765 -0.285 -11.486 1.00 0.00 C ATOM 698 CG1 ILE A 44 4.645 -1.366 -11.468 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.160 0.079 -10.040 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.169 -2.787 -11.252 1.00 0.00 C ATOM 0 H ILE A 44 5.737 0.299 -14.174 1.00 0.00 H new ATOM 0 HA ILE A 44 4.484 1.379 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 44 6.617 -0.709 -12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.933 -1.126 -10.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.100 -1.328 -12.411 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.463 -0.823 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.989 0.787 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.307 0.530 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.333 -3.487 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.859 -3.047 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.689 -2.842 -10.296 1.00 0.00 H new ATOM 712 N ALA A 45 5.987 3.341 -11.912 1.00 0.00 N ATOM 713 CA ALA A 45 6.824 4.541 -11.833 1.00 0.00 C ATOM 714 C ALA A 45 6.833 5.102 -10.403 1.00 0.00 C ATOM 715 O ALA A 45 6.330 6.193 -10.121 1.00 0.00 O ATOM 716 CB ALA A 45 6.362 5.571 -12.870 1.00 0.00 C ATOM 0 H ALA A 45 5.018 3.530 -11.657 1.00 0.00 H new ATOM 0 HA ALA A 45 7.855 4.281 -12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.989 6.460 -12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.443 5.143 -13.869 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.325 5.844 -12.675 1.00 0.00 H new ATOM 722 N ALA A 46 7.395 4.310 -9.484 1.00 0.00 N ATOM 723 CA ALA A 46 7.440 4.610 -8.058 1.00 0.00 C ATOM 724 C ALA A 46 8.668 3.979 -7.383 1.00 0.00 C ATOM 725 O ALA A 46 9.222 2.997 -7.885 1.00 0.00 O ATOM 726 CB ALA A 46 6.138 4.086 -7.438 1.00 0.00 C ATOM 0 H ALA A 46 7.840 3.423 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 46 7.530 5.686 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.135 4.293 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.287 4.582 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.065 3.011 -7.600 1.00 0.00 H new ATOM 732 N ASN A 47 9.021 4.499 -6.200 1.00 0.00 N ATOM 733 CA ASN A 47 10.103 4.097 -5.284 1.00 0.00 C ATOM 734 C ASN A 47 9.979 2.646 -4.758 1.00 0.00 C ATOM 735 O ASN A 47 9.676 2.413 -3.590 1.00 0.00 O ATOM 736 CB ASN A 47 10.153 5.137 -4.141 1.00 0.00 C ATOM 737 CG ASN A 47 8.873 5.253 -3.305 1.00 0.00 C ATOM 738 OD1 ASN A 47 7.833 4.663 -3.585 1.00 0.00 O ATOM 739 ND2 ASN A 47 8.911 6.047 -2.256 1.00 0.00 N ATOM 0 H ASN A 47 8.505 5.292 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 47 11.044 4.087 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.979 4.883 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.377 6.114 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.079 6.170 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.773 6.539 -2.020 1.00 0.00 H new ATOM 746 N THR A 48 10.148 1.667 -5.645 1.00 0.00 N ATOM 747 CA THR A 48 9.538 0.336 -5.523 1.00 0.00 C ATOM 748 C THR A 48 10.493 -0.724 -4.954 1.00 0.00 C ATOM 749 O THR A 48 11.423 -1.125 -5.654 1.00 0.00 O ATOM 750 CB THR A 48 8.976 -0.073 -6.891 1.00 0.00 C ATOM 751 OG1 THR A 48 7.934 0.836 -7.191 1.00 0.00 O ATOM 752 CG2 THR A 48 8.423 -1.495 -6.941 1.00 0.00 C ATOM 0 H THR A 48 10.720 1.774 -6.483 1.00 0.00 H new ATOM 0 HA THR A 48 8.729 0.397 -4.795 1.00 0.00 H new ATOM 0 HB THR A 48 9.793 -0.048 -7.612 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.279 1.550 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.046 -1.704 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.216 -2.202 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.612 -1.596 -6.220 1.00 0.00 H new ATOM 760 N PRO A 49 10.267 -1.217 -3.717 1.00 0.00 N ATOM 761 CA PRO A 49 10.998 -2.355 -3.169 1.00 0.00 C ATOM 762 C PRO A 49 10.494 -3.692 -3.741 1.00 0.00 C ATOM 763 O PRO A 49 9.419 -3.781 -4.343 1.00 0.00 O ATOM 764 CB PRO A 49 10.766 -2.273 -1.656 1.00 0.00 C ATOM 765 CG PRO A 49 9.349 -1.716 -1.563 1.00 0.00 C ATOM 766 CD PRO A 49 9.292 -0.744 -2.741 1.00 0.00 C ATOM 0 HA PRO A 49 12.056 -2.317 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.849 -3.250 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.491 -1.619 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.599 -2.502 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.174 -1.211 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.292 -0.717 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.527 0.270 -2.418 1.00 0.00 H new ATOM 774 N VAL A 50 11.264 -4.757 -3.476 1.00 0.00 N ATOM 775 CA VAL A 50 11.013 -6.123 -3.960 1.00 0.00 C ATOM 776 C VAL A 50 9.613 -6.622 -3.587 1.00 0.00 C ATOM 777 O VAL A 50 8.942 -7.217 -4.429 1.00 0.00 O ATOM 778 CB VAL A 50 12.101 -7.097 -3.457 1.00 0.00 C ATOM 779 CG1 VAL A 50 11.879 -8.526 -3.979 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.501 -6.650 -3.909 1.00 0.00 C ATOM 0 H VAL A 50 12.104 -4.690 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 50 11.060 -6.090 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 50 12.031 -7.088 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.667 -9.178 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.911 -8.892 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.902 -8.523 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.245 -7.356 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.539 -6.619 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.712 -5.658 -3.510 1.00 0.00 H new ATOM 790 N LEU A 51 9.147 -6.372 -2.359 1.00 0.00 N ATOM 791 CA LEU A 51 7.818 -6.790 -1.895 1.00 0.00 C ATOM 792 C LEU A 51 6.691 -6.126 -2.703 1.00 0.00 C ATOM 793 O LEU A 51 5.787 -6.815 -3.179 1.00 0.00 O ATOM 794 CB LEU A 51 7.667 -6.494 -0.391 1.00 0.00 C ATOM 795 CG LEU A 51 8.680 -7.218 0.520 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.456 -6.786 1.971 1.00 0.00 C ATOM 797 CD2 LEU A 51 8.559 -8.744 0.440 1.00 0.00 C ATOM 0 H LEU A 51 9.685 -5.870 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 51 7.730 -7.865 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.765 -5.420 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.659 -6.771 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 51 9.676 -6.942 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.171 -7.296 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.596 -5.708 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.442 -7.045 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.295 -9.202 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.558 -9.046 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.738 -9.070 -0.585 1.00 0.00 H new ATOM 809 N ARG A 52 6.773 -4.800 -2.905 1.00 0.00 N ATOM 810 CA ARG A 52 5.818 -4.037 -3.720 1.00 0.00 C ATOM 811 C ARG A 52 5.804 -4.570 -5.154 1.00 0.00 C ATOM 812 O ARG A 52 4.722 -4.875 -5.669 1.00 0.00 O ATOM 813 CB ARG A 52 6.138 -2.530 -3.668 1.00 0.00 C ATOM 814 CG ARG A 52 5.038 -1.692 -4.338 1.00 0.00 C ATOM 815 CD ARG A 52 5.431 -0.255 -4.697 1.00 0.00 C ATOM 816 NE ARG A 52 5.765 0.568 -3.525 1.00 0.00 N ATOM 817 CZ ARG A 52 6.364 1.753 -3.569 1.00 0.00 C ATOM 818 NH1 ARG A 52 6.817 2.280 -4.680 1.00 0.00 N ATOM 819 NH2 ARG A 52 6.543 2.466 -2.487 1.00 0.00 N ATOM 0 H ARG A 52 7.512 -4.224 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 52 4.817 -4.167 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.252 -2.218 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.091 -2.343 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.720 -2.202 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.175 -1.659 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.287 -0.278 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.610 0.214 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 52 5.517 0.200 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.716 1.777 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.270 3.194 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.220 2.115 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.006 3.373 -2.545 1.00 0.00 H new ATOM 833 N LYS A 53 6.988 -4.703 -5.791 1.00 0.00 N ATOM 834 CA LYS A 53 7.026 -5.198 -7.174 1.00 0.00 C ATOM 835 C LYS A 53 6.406 -6.590 -7.222 1.00 0.00 C ATOM 836 O LYS A 53 5.540 -6.818 -8.054 1.00 0.00 O ATOM 837 CB LYS A 53 8.412 -5.169 -7.851 1.00 0.00 C ATOM 838 CG LYS A 53 9.337 -6.395 -7.739 1.00 0.00 C ATOM 839 CD LYS A 53 10.563 -6.235 -8.651 1.00 0.00 C ATOM 840 CE LYS A 53 11.337 -7.545 -8.858 1.00 0.00 C ATOM 841 NZ LYS A 53 10.659 -8.488 -9.785 1.00 0.00 N ATOM 0 H LYS A 53 7.897 -4.482 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 53 6.439 -4.496 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.253 -4.976 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.954 -4.313 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.660 -6.520 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.789 -7.297 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.240 -5.854 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.232 -5.489 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.329 -7.315 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.477 -8.032 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.350 -9.175 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.904 -8.992 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.247 -7.958 -10.580 1.00 0.00 H new ATOM 855 N SER A 54 6.798 -7.467 -6.286 1.00 0.00 N ATOM 856 CA SER A 54 6.347 -8.856 -6.207 1.00 0.00 C ATOM 857 C SER A 54 4.828 -8.948 -6.204 1.00 0.00 C ATOM 858 O SER A 54 4.298 -9.711 -6.998 1.00 0.00 O ATOM 859 CB SER A 54 6.912 -9.585 -4.983 1.00 0.00 C ATOM 860 OG SER A 54 8.324 -9.584 -5.002 1.00 0.00 O ATOM 0 H SER A 54 7.455 -7.219 -5.546 1.00 0.00 H new ATOM 0 HA SER A 54 6.731 -9.350 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.556 -9.104 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.545 -10.611 -4.965 1.00 0.00 H new ATOM 0 HG SER A 54 8.649 -8.666 -5.108 1.00 0.00 H new ATOM 866 N GLU A 55 4.119 -8.159 -5.381 1.00 0.00 N ATOM 867 CA GLU A 55 2.651 -8.157 -5.403 1.00 0.00 C ATOM 868 C GLU A 55 2.106 -7.757 -6.788 1.00 0.00 C ATOM 869 O GLU A 55 1.278 -8.472 -7.352 1.00 0.00 O ATOM 870 CB GLU A 55 2.075 -7.236 -4.301 1.00 0.00 C ATOM 871 CG GLU A 55 0.808 -7.837 -3.657 1.00 0.00 C ATOM 872 CD GLU A 55 -0.212 -6.812 -3.122 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.130 -5.639 -2.823 1.00 0.00 O ATOM 874 OE2 GLU A 55 -1.416 -7.170 -3.041 1.00 0.00 O ATOM 0 H GLU A 55 4.534 -7.522 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 55 2.324 -9.176 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.831 -7.072 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.838 -6.262 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.311 -8.468 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.111 -8.485 -2.835 1.00 0.00 H new ATOM 881 N LEU A 56 2.575 -6.635 -7.359 1.00 0.00 N ATOM 882 CA LEU A 56 2.062 -6.122 -8.646 1.00 0.00 C ATOM 883 C LEU A 56 2.340 -7.075 -9.813 1.00 0.00 C ATOM 884 O LEU A 56 1.480 -7.339 -10.655 1.00 0.00 O ATOM 885 CB LEU A 56 2.613 -4.708 -8.889 1.00 0.00 C ATOM 886 CG LEU A 56 2.173 -3.702 -7.802 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.081 -2.328 -8.440 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.799 -3.985 -7.188 1.00 0.00 C ATOM 0 H LEU A 56 3.312 -6.062 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 56 0.975 -6.062 -8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.702 -4.747 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.277 -4.354 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 56 2.914 -3.778 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.771 -1.599 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.055 -2.046 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.350 -2.350 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.574 -3.229 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.039 -3.958 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.805 -4.970 -6.722 1.00 0.00 H new ATOM 900 N GLU A 57 3.542 -7.626 -9.798 1.00 0.00 N ATOM 901 CA GLU A 57 4.075 -8.654 -10.694 1.00 0.00 C ATOM 902 C GLU A 57 3.304 -9.981 -10.561 1.00 0.00 C ATOM 903 O GLU A 57 2.990 -10.610 -11.572 1.00 0.00 O ATOM 904 CB GLU A 57 5.570 -8.772 -10.365 1.00 0.00 C ATOM 905 CG GLU A 57 6.477 -9.490 -11.361 1.00 0.00 C ATOM 906 CD GLU A 57 7.931 -9.202 -10.952 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.419 -9.819 -9.979 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.560 -8.267 -11.517 1.00 0.00 O ATOM 0 H GLU A 57 4.233 -7.346 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 57 3.950 -8.383 -11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.960 -7.764 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.660 -9.282 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.282 -10.562 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.287 -9.138 -12.375 1.00 0.00 H new ATOM 915 N TYR A 58 2.903 -10.371 -9.341 1.00 0.00 N ATOM 916 CA TYR A 58 2.013 -11.509 -9.089 1.00 0.00 C ATOM 917 C TYR A 58 0.656 -11.325 -9.777 1.00 0.00 C ATOM 918 O TYR A 58 0.173 -12.242 -10.439 1.00 0.00 O ATOM 919 CB TYR A 58 1.829 -11.729 -7.578 1.00 0.00 C ATOM 920 CG TYR A 58 1.448 -13.138 -7.185 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.471 -14.072 -6.928 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.100 -13.505 -7.029 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.152 -15.386 -6.541 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.225 -14.815 -6.625 1.00 0.00 C ATOM 925 CZ TYR A 58 0.797 -15.760 -6.391 1.00 0.00 C ATOM 926 OH TYR A 58 0.470 -17.023 -6.007 1.00 0.00 O ATOM 0 H TYR A 58 3.195 -9.894 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 58 2.482 -12.396 -9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.756 -11.463 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.061 -11.045 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.505 -13.778 -7.029 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.683 -12.786 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.937 -16.105 -6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.259 -15.097 -6.494 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.505 -17.106 -5.953 1.00 0.00 H new ATOM 936 N TYR A 59 0.040 -10.139 -9.675 1.00 0.00 N ATOM 937 CA TYR A 59 -1.211 -9.871 -10.393 1.00 0.00 C ATOM 938 C TYR A 59 -1.017 -9.775 -11.909 1.00 0.00 C ATOM 939 O TYR A 59 -1.867 -10.275 -12.651 1.00 0.00 O ATOM 940 CB TYR A 59 -1.914 -8.633 -9.844 1.00 0.00 C ATOM 941 CG TYR A 59 -2.135 -8.690 -8.351 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.852 -9.758 -7.780 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.573 -7.702 -7.532 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.995 -9.849 -6.384 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.719 -7.784 -6.139 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.445 -8.847 -5.556 1.00 0.00 C ATOM 947 OH TYR A 59 -2.689 -8.868 -4.215 1.00 0.00 O ATOM 0 H TYR A 59 0.382 -9.361 -9.111 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.857 -10.732 -10.218 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.322 -7.750 -10.084 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.876 -8.517 -10.343 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.294 -10.510 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.029 -6.879 -7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.524 -10.683 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.273 -7.029 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.891 -8.566 -3.733 1.00 0.00 H new ATOM 957 N ALA A 60 0.101 -9.205 -12.384 1.00 0.00 N ATOM 958 CA ALA A 60 0.484 -9.270 -13.792 1.00 0.00 C ATOM 959 C ALA A 60 0.593 -10.719 -14.330 1.00 0.00 C ATOM 960 O ALA A 60 0.215 -10.978 -15.476 1.00 0.00 O ATOM 961 CB ALA A 60 1.787 -8.499 -14.007 1.00 0.00 C ATOM 0 H ALA A 60 0.759 -8.689 -11.800 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.315 -8.803 -14.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.070 -8.549 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.645 -7.457 -13.719 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.576 -8.940 -13.397 1.00 0.00 H new ATOM 967 N MET A 61 1.079 -11.651 -13.494 1.00 0.00 N ATOM 968 CA MET A 61 1.204 -13.094 -13.749 1.00 0.00 C ATOM 969 C MET A 61 -0.123 -13.875 -13.625 1.00 0.00 C ATOM 970 O MET A 61 -0.334 -14.825 -14.384 1.00 0.00 O ATOM 971 CB MET A 61 2.253 -13.649 -12.766 1.00 0.00 C ATOM 972 CG MET A 61 2.520 -15.154 -12.901 1.00 0.00 C ATOM 973 SD MET A 61 3.589 -15.835 -11.603 1.00 0.00 S ATOM 974 CE MET A 61 2.464 -15.775 -10.177 1.00 0.00 C ATOM 0 H MET A 61 1.416 -11.401 -12.564 1.00 0.00 H new ATOM 0 HA MET A 61 1.510 -13.228 -14.786 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.190 -13.112 -12.914 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.924 -13.441 -11.748 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.568 -15.684 -12.888 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.978 -15.345 -13.872 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.889 -16.350 -9.354 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.328 -14.740 -9.864 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.500 -16.199 -10.456 1.00 0.00 H new ATOM 984 N LEU A 62 -1.004 -13.514 -12.676 1.00 0.00 N ATOM 985 CA LEU A 62 -2.353 -14.085 -12.528 1.00 0.00 C ATOM 986 C LEU A 62 -3.265 -13.678 -13.693 1.00 0.00 C ATOM 987 O LEU A 62 -3.819 -14.546 -14.371 1.00 0.00 O ATOM 988 CB LEU A 62 -2.987 -13.647 -11.195 1.00 0.00 C ATOM 989 CG LEU A 62 -2.455 -14.365 -9.940 1.00 0.00 C ATOM 990 CD1 LEU A 62 -3.083 -13.695 -8.715 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.821 -15.853 -9.916 1.00 0.00 C ATOM 0 H LEU A 62 -0.793 -12.802 -11.976 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.249 -15.170 -12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.830 -12.575 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.064 -13.807 -11.255 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.367 -14.291 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.724 -14.183 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.805 -12.641 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.168 -13.783 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.422 -16.311 -9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.906 -15.961 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.396 -16.346 -10.790 1.00 0.00 H new ATOM 1003 N SER A 63 -3.361 -12.371 -13.965 1.00 0.00 N ATOM 1004 CA SER A 63 -3.781 -11.831 -15.266 1.00 0.00 C ATOM 1005 C SER A 63 -2.786 -12.247 -16.369 1.00 0.00 C ATOM 1006 O SER A 63 -1.907 -13.074 -16.128 1.00 0.00 O ATOM 1007 CB SER A 63 -3.928 -10.307 -15.173 1.00 0.00 C ATOM 1008 OG SER A 63 -2.670 -9.698 -14.965 1.00 0.00 O ATOM 0 H SER A 63 -3.146 -11.648 -13.279 1.00 0.00 H new ATOM 0 HA SER A 63 -4.753 -12.246 -15.534 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.377 -9.923 -16.089 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.602 -10.050 -14.356 1.00 0.00 H new ATOM 0 HG SER A 63 -2.499 -9.621 -14.003 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.917 -11.766 -17.610 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.922 -12.051 -18.663 1.00 0.00 C ATOM 1016 C LYS A 64 -1.352 -10.745 -19.203 1.00 0.00 C ATOM 1017 O LYS A 64 -1.690 -10.288 -20.293 1.00 0.00 O ATOM 1018 CB LYS A 64 -2.477 -13.043 -19.703 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.827 -14.417 -19.085 1.00 0.00 C ATOM 1020 CD LYS A 64 -1.611 -15.254 -18.629 1.00 0.00 C ATOM 1021 CE LYS A 64 -2.009 -16.324 -17.601 1.00 0.00 C ATOM 1022 NZ LYS A 64 -2.104 -15.765 -16.229 1.00 0.00 N ATOM 0 H LYS A 64 -3.695 -11.181 -17.914 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.062 -12.580 -18.251 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.368 -12.619 -20.165 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.742 -13.182 -20.496 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.482 -14.258 -18.228 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.393 -14.994 -19.816 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.154 -15.734 -19.495 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.858 -14.596 -18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.968 -16.759 -17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.276 -17.131 -17.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.827 -16.285 -15.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.184 -15.857 -15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.368 -14.760 -16.281 1.00 0.00 H new ATOM 1036 N THR A 65 -0.500 -10.136 -18.377 1.00 0.00 N ATOM 1037 CA THR A 65 -0.227 -8.700 -18.392 1.00 0.00 C ATOM 1038 C THR A 65 1.275 -8.425 -18.473 1.00 0.00 C ATOM 1039 O THR A 65 2.062 -9.002 -17.723 1.00 0.00 O ATOM 1040 CB THR A 65 -0.819 -8.108 -17.109 1.00 0.00 C ATOM 1041 OG1 THR A 65 -2.214 -8.304 -17.046 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.601 -6.624 -16.889 1.00 0.00 C ATOM 0 H THR A 65 0.030 -10.638 -17.665 1.00 0.00 H new ATOM 0 HA THR A 65 -0.679 -8.240 -19.271 1.00 0.00 H new ATOM 0 HB THR A 65 -0.272 -8.649 -16.337 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.450 -8.699 -16.181 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.065 -6.323 -15.950 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.468 -6.415 -16.849 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.049 -6.065 -17.710 1.00 0.00 H new ATOM 1050 N LYS A 66 1.678 -7.509 -19.362 1.00 0.00 N ATOM 1051 CA LYS A 66 3.070 -7.070 -19.529 1.00 0.00 C ATOM 1052 C LYS A 66 3.446 -6.081 -18.415 1.00 0.00 C ATOM 1053 O LYS A 66 2.637 -5.232 -18.058 1.00 0.00 O ATOM 1054 CB LYS A 66 3.184 -6.437 -20.926 1.00 0.00 C ATOM 1055 CG LYS A 66 4.590 -5.906 -21.258 1.00 0.00 C ATOM 1056 CD LYS A 66 4.721 -5.481 -22.728 1.00 0.00 C ATOM 1057 CE LYS A 66 3.784 -4.320 -23.083 1.00 0.00 C ATOM 1058 NZ LYS A 66 3.965 -3.901 -24.486 1.00 0.00 N ATOM 0 H LYS A 66 1.032 -7.042 -19.999 1.00 0.00 H new ATOM 0 HA LYS A 66 3.765 -7.906 -19.452 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.900 -7.178 -21.674 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.470 -5.617 -21.002 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.816 -5.055 -20.615 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.328 -6.677 -21.038 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.751 -5.188 -22.929 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.501 -6.333 -23.371 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.749 -4.621 -22.921 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.978 -3.476 -22.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.395 -3.051 -24.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.968 -3.689 -24.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.659 -4.667 -25.119 1.00 0.00 H new ATOM 1072 N VAL A 67 4.670 -6.169 -17.883 1.00 0.00 N ATOM 1073 CA VAL A 67 5.164 -5.326 -16.779 1.00 0.00 C ATOM 1074 C VAL A 67 6.228 -4.353 -17.282 1.00 0.00 C ATOM 1075 O VAL A 67 7.166 -4.770 -17.961 1.00 0.00 O ATOM 1076 CB VAL A 67 5.757 -6.195 -15.646 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.141 -5.341 -14.429 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.776 -7.267 -15.163 1.00 0.00 C ATOM 0 H VAL A 67 5.363 -6.841 -18.212 1.00 0.00 H new ATOM 0 HA VAL A 67 4.318 -4.762 -16.387 1.00 0.00 H new ATOM 0 HB VAL A 67 6.639 -6.672 -16.074 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.555 -5.982 -13.651 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.886 -4.602 -14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.256 -4.832 -14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.238 -7.851 -14.367 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.872 -6.789 -14.784 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.518 -7.925 -15.993 1.00 0.00 H new ATOM 1088 N TYR A 68 6.116 -3.071 -16.914 1.00 0.00 N ATOM 1089 CA TYR A 68 7.096 -2.043 -17.263 1.00 0.00 C ATOM 1090 C TYR A 68 7.533 -1.186 -16.058 1.00 0.00 C ATOM 1091 O TYR A 68 6.796 -0.328 -15.569 1.00 0.00 O ATOM 1092 CB TYR A 68 6.563 -1.202 -18.426 1.00 0.00 C ATOM 1093 CG TYR A 68 7.642 -0.344 -19.043 1.00 0.00 C ATOM 1094 CD1 TYR A 68 8.728 -0.964 -19.686 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.607 1.057 -18.904 1.00 0.00 C ATOM 1096 CE1 TYR A 68 9.797 -0.188 -20.162 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.667 1.841 -19.393 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.760 1.214 -20.025 1.00 0.00 C ATOM 1099 OH TYR A 68 10.816 1.941 -20.463 1.00 0.00 O ATOM 0 H TYR A 68 5.335 -2.718 -16.361 1.00 0.00 H new ATOM 0 HA TYR A 68 8.009 -2.543 -17.587 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.143 -1.860 -19.187 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.752 -0.566 -18.072 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.740 -2.036 -19.814 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.765 1.530 -18.421 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.645 -0.664 -20.632 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.644 2.915 -19.285 1.00 0.00 H new ATOM 0 HH TYR A 68 10.536 2.504 -21.215 1.00 0.00 H new ATOM 1109 N TYR A 69 8.760 -1.427 -15.583 1.00 0.00 N ATOM 1110 CA TYR A 69 9.388 -0.726 -14.458 1.00 0.00 C ATOM 1111 C TYR A 69 9.951 0.644 -14.872 1.00 0.00 C ATOM 1112 O TYR A 69 11.167 0.846 -14.971 1.00 0.00 O ATOM 1113 CB TYR A 69 10.449 -1.642 -13.826 1.00 0.00 C ATOM 1114 CG TYR A 69 9.833 -2.833 -13.118 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.118 -2.608 -11.929 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.914 -4.135 -13.659 1.00 0.00 C ATOM 1117 CE1 TYR A 69 8.464 -3.671 -11.292 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.268 -5.209 -13.013 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.529 -4.974 -11.832 1.00 0.00 C ATOM 1120 OH TYR A 69 7.862 -5.979 -11.206 1.00 0.00 O ATOM 0 H TYR A 69 9.365 -2.142 -15.987 1.00 0.00 H new ATOM 0 HA TYR A 69 8.631 -0.506 -13.705 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.129 -1.995 -14.601 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.045 -1.068 -13.116 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.073 -1.615 -11.506 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.471 -4.308 -14.568 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.908 -3.493 -10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.338 -6.207 -13.419 1.00 0.00 H new ATOM 0 HH TYR A 69 8.077 -6.832 -11.637 1.00 0.00 H new ATOM 1130 N PHE A 70 9.052 1.614 -15.054 1.00 0.00 N ATOM 1131 CA PHE A 70 9.319 3.014 -15.399 1.00 0.00 C ATOM 1132 C PHE A 70 9.742 3.814 -14.150 1.00 0.00 C ATOM 1133 O PHE A 70 9.299 4.937 -13.929 1.00 0.00 O ATOM 1134 CB PHE A 70 8.050 3.578 -16.067 1.00 0.00 C ATOM 1135 CG PHE A 70 8.127 4.898 -16.829 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.245 5.761 -16.779 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.022 5.268 -17.617 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.252 6.962 -17.512 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.021 6.472 -18.341 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.140 7.319 -18.294 1.00 0.00 C ATOM 0 H PHE A 70 8.053 1.431 -14.958 1.00 0.00 H new ATOM 0 HA PHE A 70 10.153 3.094 -16.096 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.682 2.822 -16.760 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.295 3.693 -15.289 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.100 5.497 -16.174 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.162 4.617 -17.666 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.114 7.611 -17.474 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.160 6.746 -18.933 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.146 8.241 -18.856 1.00 0.00 H new ATOM 1150 N GLN A 71 10.605 3.240 -13.307 1.00 0.00 N ATOM 1151 CA GLN A 71 10.846 3.703 -11.936 1.00 0.00 C ATOM 1152 C GLN A 71 11.398 5.136 -11.795 1.00 0.00 C ATOM 1153 O GLN A 71 11.335 5.696 -10.705 1.00 0.00 O ATOM 1154 CB GLN A 71 11.725 2.675 -11.205 1.00 0.00 C ATOM 1155 CG GLN A 71 13.185 2.680 -11.686 1.00 0.00 C ATOM 1156 CD GLN A 71 13.920 1.411 -11.276 1.00 0.00 C ATOM 1157 OE1 GLN A 71 14.374 1.310 -10.043 1.00 0.00 O flip ATOM 1158 NE2 GLN A 71 14.093 0.498 -12.075 1.00 0.00 N flip ATOM 0 H GLN A 71 11.166 2.427 -13.562 1.00 0.00 H new ATOM 0 HA GLN A 71 9.866 3.773 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.701 2.881 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.305 1.679 -11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.210 2.780 -12.771 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.700 3.548 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.740 0.581 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.590 -0.345 -11.787 1.00 0.00 H new ATOM 1167 N GLY A 72 11.897 5.734 -12.885 1.00 0.00 N ATOM 1168 CA GLY A 72 12.318 7.136 -12.949 1.00 0.00 C ATOM 1169 C GLY A 72 11.220 8.121 -13.372 1.00 0.00 C ATOM 1170 O GLY A 72 11.417 9.323 -13.223 1.00 0.00 O ATOM 0 H GLY A 72 12.021 5.241 -13.769 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.694 7.432 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.150 7.219 -13.649 1.00 0.00 H new ATOM 1174 N GLY A 73 10.056 7.657 -13.854 1.00 0.00 N ATOM 1175 CA GLY A 73 8.941 8.487 -14.340 1.00 0.00 C ATOM 1176 C GLY A 73 8.103 9.128 -13.228 1.00 0.00 C ATOM 1177 O GLY A 73 6.888 9.263 -13.380 1.00 0.00 O ATOM 0 H GLY A 73 9.858 6.658 -13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.341 9.275 -14.978 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.290 7.873 -14.962 1.00 0.00 H new ATOM 1181 N ASN A 74 8.766 9.482 -12.120 1.00 0.00 N ATOM 1182 CA ASN A 74 8.263 9.839 -10.792 1.00 0.00 C ATOM 1183 C ASN A 74 7.236 10.983 -10.730 1.00 0.00 C ATOM 1184 O ASN A 74 6.531 11.129 -9.739 1.00 0.00 O ATOM 1185 CB ASN A 74 9.489 10.153 -9.914 1.00 0.00 C ATOM 1186 CG ASN A 74 10.129 11.533 -10.108 1.00 0.00 C ATOM 1187 OD1 ASN A 74 10.546 12.152 -9.144 1.00 0.00 O ATOM 1188 ND2 ASN A 74 10.263 12.080 -11.304 1.00 0.00 N ATOM 0 H ASN A 74 9.785 9.530 -12.138 1.00 0.00 H new ATOM 0 HA ASN A 74 7.690 8.985 -10.432 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.195 10.056 -8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.248 9.394 -10.103 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.705 12.994 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.925 11.588 -12.131 1.00 0.00 H new ATOM 1195 N ASN A 75 7.153 11.791 -11.777 1.00 0.00 N ATOM 1196 CA ASN A 75 6.152 12.834 -11.977 1.00 0.00 C ATOM 1197 C ASN A 75 5.612 12.805 -13.413 1.00 0.00 C ATOM 1198 O ASN A 75 4.468 13.168 -13.678 1.00 0.00 O ATOM 1199 CB ASN A 75 6.816 14.171 -11.582 1.00 0.00 C ATOM 1200 CG ASN A 75 6.365 15.356 -12.416 1.00 0.00 C ATOM 1201 OD1 ASN A 75 5.307 15.933 -12.190 1.00 0.00 O ATOM 1202 ND2 ASN A 75 7.133 15.720 -13.422 1.00 0.00 N ATOM 0 H ASN A 75 7.815 11.736 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 75 5.272 12.682 -11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.601 14.375 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.897 14.068 -11.671 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.850 16.492 -14.026 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.010 15.230 -13.597 1.00 0.00 H new ATOM 1209 N GLU A 76 6.446 12.336 -14.332 1.00 0.00 N ATOM 1210 CA GLU A 76 6.322 12.355 -15.773 1.00 0.00 C ATOM 1211 C GLU A 76 5.151 11.470 -16.195 1.00 0.00 C ATOM 1212 O GLU A 76 4.325 11.885 -17.013 1.00 0.00 O ATOM 1213 CB GLU A 76 7.661 11.865 -16.371 1.00 0.00 C ATOM 1214 CG GLU A 76 8.896 12.744 -16.047 1.00 0.00 C ATOM 1215 CD GLU A 76 9.164 12.951 -14.543 1.00 0.00 C ATOM 1216 OE1 GLU A 76 9.128 11.944 -13.788 1.00 0.00 O ATOM 1217 OE2 GLU A 76 9.200 14.121 -14.103 1.00 0.00 O ATOM 0 H GLU A 76 7.317 11.886 -14.049 1.00 0.00 H new ATOM 0 HA GLU A 76 6.117 13.360 -16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.852 10.854 -16.011 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.555 11.803 -17.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.777 12.289 -16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.764 13.719 -16.516 1.00 0.00 H new ATOM 1224 N LEU A 77 5.023 10.276 -15.601 1.00 0.00 N ATOM 1225 CA LEU A 77 3.881 9.401 -15.849 1.00 0.00 C ATOM 1226 C LEU A 77 2.564 10.020 -15.347 1.00 0.00 C ATOM 1227 O LEU A 77 1.527 9.856 -15.989 1.00 0.00 O ATOM 1228 CB LEU A 77 4.158 8.035 -15.214 1.00 0.00 C ATOM 1229 CG LEU A 77 3.166 6.954 -15.672 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.376 6.544 -17.135 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.369 5.717 -14.808 1.00 0.00 C ATOM 0 H LEU A 77 5.703 9.897 -14.942 1.00 0.00 H new ATOM 0 HA LEU A 77 3.754 9.272 -16.924 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.171 7.722 -15.465 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.112 8.128 -14.129 1.00 0.00 H new ATOM 0 HG LEU A 77 2.162 7.367 -15.575 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.649 5.778 -17.406 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.244 7.414 -17.779 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.384 6.148 -17.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.673 4.938 -15.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.391 5.357 -14.923 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.188 5.969 -13.763 1.00 0.00 H new ATOM 1243 N GLY A 78 2.611 10.829 -14.281 1.00 0.00 N ATOM 1244 CA GLY A 78 1.497 11.675 -13.852 1.00 0.00 C ATOM 1245 C GLY A 78 1.061 12.700 -14.900 1.00 0.00 C ATOM 1246 O GLY A 78 -0.077 13.166 -14.843 1.00 0.00 O ATOM 0 H GLY A 78 3.436 10.913 -13.687 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.647 11.041 -13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.782 12.200 -12.940 1.00 0.00 H new ATOM 1250 N THR A 79 1.916 13.048 -15.869 1.00 0.00 N ATOM 1251 CA THR A 79 1.545 13.835 -17.054 1.00 0.00 C ATOM 1252 C THR A 79 1.045 12.945 -18.201 1.00 0.00 C ATOM 1253 O THR A 79 0.154 13.376 -18.925 1.00 0.00 O ATOM 1254 CB THR A 79 2.710 14.734 -17.501 1.00 0.00 C ATOM 1255 OG1 THR A 79 3.053 15.606 -16.442 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.374 15.636 -18.691 1.00 0.00 C ATOM 0 H THR A 79 2.902 12.787 -15.853 1.00 0.00 H new ATOM 0 HA THR A 79 0.713 14.480 -16.772 1.00 0.00 H new ATOM 0 HB THR A 79 3.513 14.055 -17.787 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.796 16.181 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.245 16.240 -18.947 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.094 15.021 -19.546 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.543 16.291 -18.428 1.00 0.00 H new ATOM 1264 N ALA A 80 1.513 11.691 -18.323 1.00 0.00 N ATOM 1265 CA ALA A 80 0.970 10.721 -19.285 1.00 0.00 C ATOM 1266 C ALA A 80 -0.506 10.413 -18.999 1.00 0.00 C ATOM 1267 O ALA A 80 -1.319 10.314 -19.915 1.00 0.00 O ATOM 1268 CB ALA A 80 1.776 9.416 -19.244 1.00 0.00 C ATOM 0 H ALA A 80 2.278 11.323 -17.757 1.00 0.00 H new ATOM 0 HA ALA A 80 1.047 11.168 -20.276 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.361 8.709 -19.962 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.816 9.622 -19.498 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.725 8.988 -18.243 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.849 10.265 -17.713 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.230 10.040 -17.260 1.00 0.00 C ATOM 1276 C VAL A 81 -2.960 11.344 -16.914 1.00 0.00 C ATOM 1277 O VAL A 81 -4.190 11.362 -16.868 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.275 9.042 -16.087 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.448 7.788 -16.397 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.758 9.621 -14.768 1.00 0.00 C ATOM 0 H VAL A 81 -0.172 10.298 -16.951 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.767 9.600 -18.100 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.331 8.799 -15.969 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.498 7.101 -15.552 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.847 7.299 -17.286 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.410 8.071 -16.574 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.820 8.862 -13.988 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.721 9.933 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.365 10.481 -14.486 1.00 0.00 H new ATOM 1290 N GLY A 82 -2.217 12.433 -16.676 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.733 13.780 -16.425 1.00 0.00 C ATOM 1292 C GLY A 82 -3.466 13.886 -15.088 1.00 0.00 C ATOM 1293 O GLY A 82 -4.649 14.232 -15.075 1.00 0.00 O ATOM 0 H GLY A 82 -1.198 12.395 -16.653 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.907 14.491 -16.440 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.411 14.062 -17.231 1.00 0.00 H new ATOM 1297 N LYS A 83 -2.795 13.529 -13.980 1.00 0.00 N ATOM 1298 CA LYS A 83 -3.384 13.454 -12.629 1.00 0.00 C ATOM 1299 C LYS A 83 -2.431 13.958 -11.531 1.00 0.00 C ATOM 1300 O LYS A 83 -1.223 14.102 -11.730 1.00 0.00 O ATOM 1301 CB LYS A 83 -3.843 12.012 -12.320 1.00 0.00 C ATOM 1302 CG LYS A 83 -4.852 11.398 -13.307 1.00 0.00 C ATOM 1303 CD LYS A 83 -6.241 12.059 -13.288 1.00 0.00 C ATOM 1304 CE LYS A 83 -7.074 11.722 -14.533 1.00 0.00 C ATOM 1305 NZ LYS A 83 -6.490 12.314 -15.762 1.00 0.00 N ATOM 0 H LYS A 83 -1.806 13.279 -13.997 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.248 14.119 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.962 11.371 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.285 11.998 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.444 11.467 -14.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.964 10.338 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.780 11.737 -12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.123 13.140 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.138 10.640 -14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.092 12.090 -14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.247 12.507 -16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.005 13.202 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.808 11.648 -16.178 1.00 0.00 H new ATOM 1319 N LEU A 84 -3.004 14.222 -10.352 1.00 0.00 N ATOM 1320 CA LEU A 84 -2.358 14.938 -9.248 1.00 0.00 C ATOM 1321 C LEU A 84 -1.333 14.116 -8.449 1.00 0.00 C ATOM 1322 O LEU A 84 -0.432 14.699 -7.858 1.00 0.00 O ATOM 1323 CB LEU A 84 -3.475 15.495 -8.340 1.00 0.00 C ATOM 1324 CG LEU A 84 -3.016 16.405 -7.180 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -2.268 17.650 -7.669 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -4.241 16.861 -6.383 1.00 0.00 C ATOM 0 H LEU A 84 -3.958 13.935 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.756 15.739 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.174 16.056 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.026 14.654 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.333 15.821 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.968 18.254 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.382 17.347 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.921 18.236 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.923 17.504 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.915 17.414 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.759 15.990 -5.981 1.00 0.00 H new ATOM 1338 N PHE A 85 -1.436 12.782 -8.437 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.619 11.910 -7.581 1.00 0.00 C ATOM 1340 C PHE A 85 0.881 11.882 -7.933 1.00 0.00 C ATOM 1341 O PHE A 85 1.711 11.601 -7.070 1.00 0.00 O ATOM 1342 CB PHE A 85 -1.210 10.496 -7.617 1.00 0.00 C ATOM 1343 CG PHE A 85 -1.063 9.766 -8.942 1.00 0.00 C ATOM 1344 CD1 PHE A 85 0.115 9.051 -9.211 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -2.093 9.793 -9.899 1.00 0.00 C ATOM 1346 CE1 PHE A 85 0.273 8.356 -10.422 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -1.950 9.076 -11.101 1.00 0.00 C ATOM 1348 CZ PHE A 85 -0.767 8.359 -11.363 1.00 0.00 C ATOM 0 H PHE A 85 -2.094 12.272 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.658 12.329 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.734 9.901 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.270 10.556 -7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.909 9.035 -8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.991 10.363 -9.712 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.190 7.823 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.751 9.076 -11.826 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.660 7.812 -12.288 1.00 0.00 H new ATOM 1358 N ARG A 86 1.215 12.185 -9.195 1.00 0.00 N ATOM 1359 CA ARG A 86 2.559 12.263 -9.804 1.00 0.00 C ATOM 1360 C ARG A 86 3.333 10.931 -9.836 1.00 0.00 C ATOM 1361 O ARG A 86 3.660 10.471 -10.928 1.00 0.00 O ATOM 1362 CB ARG A 86 3.387 13.418 -9.191 1.00 0.00 C ATOM 1363 CG ARG A 86 2.679 14.776 -9.035 1.00 0.00 C ATOM 1364 CD ARG A 86 1.816 15.239 -10.222 1.00 0.00 C ATOM 1365 NE ARG A 86 2.600 15.456 -11.450 1.00 0.00 N ATOM 1366 CZ ARG A 86 2.161 15.461 -12.702 1.00 0.00 C ATOM 1367 NH1 ARG A 86 0.922 15.190 -13.035 1.00 0.00 N ATOM 1368 NH2 ARG A 86 3.011 15.738 -13.654 1.00 0.00 N ATOM 0 H ARG A 86 0.491 12.402 -9.880 1.00 0.00 H new ATOM 0 HA ARG A 86 2.388 12.491 -10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.734 13.102 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.272 13.566 -9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.045 14.731 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.437 15.537 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.045 14.494 -10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.305 16.164 -9.955 1.00 0.00 H new ATOM 0 HE ARG A 86 3.598 15.622 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.239 14.960 -12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.642 15.209 -14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.984 15.943 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.702 15.749 -14.626 1.00 0.00 H new ATOM 1382 N VAL A 87 3.598 10.325 -8.671 1.00 0.00 N ATOM 1383 CA VAL A 87 4.413 9.110 -8.466 1.00 0.00 C ATOM 1384 C VAL A 87 3.519 7.889 -8.222 1.00 0.00 C ATOM 1385 O VAL A 87 2.665 7.920 -7.335 1.00 0.00 O ATOM 1386 CB VAL A 87 5.424 9.330 -7.311 1.00 0.00 C ATOM 1387 CG1 VAL A 87 4.804 9.557 -5.923 1.00 0.00 C ATOM 1388 CG2 VAL A 87 6.420 8.169 -7.224 1.00 0.00 C ATOM 0 H VAL A 87 3.230 10.688 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 87 4.985 8.911 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 87 5.926 10.260 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.597 9.700 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.169 10.443 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.205 8.689 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.118 8.349 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.880 7.239 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.972 8.092 -8.161 1.00 0.00 H new ATOM 1398 N GLY A 88 3.673 6.803 -8.994 1.00 0.00 N ATOM 1399 CA GLY A 88 2.765 5.663 -8.846 1.00 0.00 C ATOM 1400 C GLY A 88 2.789 4.618 -9.960 1.00 0.00 C ATOM 1401 O GLY A 88 3.644 4.605 -10.843 1.00 0.00 O ATOM 0 H GLY A 88 4.395 6.693 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.997 5.163 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.748 6.047 -8.761 1.00 0.00 H new ATOM 1405 N VAL A 89 1.823 3.703 -9.864 1.00 0.00 N ATOM 1406 CA VAL A 89 1.498 2.668 -10.850 1.00 0.00 C ATOM 1407 C VAL A 89 0.264 3.062 -11.668 1.00 0.00 C ATOM 1408 O VAL A 89 -0.681 3.676 -11.160 1.00 0.00 O ATOM 1409 CB VAL A 89 1.343 1.302 -10.137 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.288 1.329 -9.018 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.022 0.142 -11.090 1.00 0.00 C ATOM 0 H VAL A 89 1.211 3.661 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 89 2.315 2.571 -11.565 1.00 0.00 H new ATOM 0 HB VAL A 89 2.326 1.124 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.224 0.344 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.573 2.065 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.682 1.596 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.928 -0.782 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.085 0.346 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.825 0.038 -11.820 1.00 0.00 H new ATOM 1421 N VAL A 90 0.288 2.656 -12.938 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.775 2.789 -13.939 1.00 0.00 C ATOM 1423 C VAL A 90 -0.932 1.428 -14.600 1.00 0.00 C ATOM 1424 O VAL A 90 0.076 0.777 -14.872 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.384 3.828 -15.014 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.492 4.061 -16.052 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.032 5.169 -14.405 1.00 0.00 C ATOM 0 H VAL A 90 1.110 2.192 -13.324 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.700 3.120 -13.466 1.00 0.00 H new ATOM 0 HB VAL A 90 0.475 3.393 -15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.159 4.800 -16.780 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.715 3.124 -16.562 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.389 4.424 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.297 5.864 -15.202 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.796 5.579 -13.827 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.892 5.021 -13.752 1.00 0.00 H new ATOM 1437 N SER A 91 -2.154 1.011 -14.928 1.00 0.00 N ATOM 1438 CA SER A 91 -2.354 -0.195 -15.738 1.00 0.00 C ATOM 1439 C SER A 91 -3.382 0.056 -16.832 1.00 0.00 C ATOM 1440 O SER A 91 -4.321 0.826 -16.638 1.00 0.00 O ATOM 1441 CB SER A 91 -2.747 -1.399 -14.874 1.00 0.00 C ATOM 1442 OG SER A 91 -1.920 -1.544 -13.735 1.00 0.00 O ATOM 0 H SER A 91 -3.014 1.483 -14.650 1.00 0.00 H new ATOM 0 HA SER A 91 -1.403 -0.436 -16.213 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.783 -1.289 -14.554 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.693 -2.306 -15.476 1.00 0.00 H new ATOM 0 HG SER A 91 -2.470 -1.784 -12.960 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.212 -0.618 -17.970 1.00 0.00 N ATOM 1449 CA ILE A 92 -4.077 -0.532 -19.145 1.00 0.00 C ATOM 1450 C ILE A 92 -4.625 -1.932 -19.457 1.00 0.00 C ATOM 1451 O ILE A 92 -3.911 -2.946 -19.401 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.352 0.090 -20.364 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.393 1.275 -20.076 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.407 0.518 -21.402 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -3.035 2.563 -19.557 1.00 0.00 C ATOM 0 H ILE A 92 -2.435 -1.265 -18.103 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.907 0.140 -18.925 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.694 -0.697 -20.732 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.653 0.945 -19.347 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.854 1.509 -20.994 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.909 0.958 -22.266 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.981 -0.353 -21.718 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.078 1.252 -20.957 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.263 3.315 -19.394 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.753 2.933 -20.290 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.548 2.361 -18.617 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.921 -1.971 -19.767 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.705 -3.186 -19.928 1.00 0.00 C ATOM 1469 C LEU A 93 -7.090 -3.387 -21.394 1.00 0.00 C ATOM 1470 O LEU A 93 -6.670 -4.361 -22.012 1.00 0.00 O ATOM 1471 CB LEU A 93 -7.929 -3.150 -18.986 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.600 -3.013 -17.478 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.491 -1.558 -16.996 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.705 -3.668 -16.646 1.00 0.00 C ATOM 0 H LEU A 93 -6.469 -1.124 -19.917 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.104 -4.050 -19.645 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.568 -2.317 -19.279 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.507 -4.062 -19.133 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.631 -3.496 -17.348 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.259 -1.544 -15.931 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.699 -1.051 -17.547 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.438 -1.046 -17.168 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.470 -3.569 -15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.656 -3.178 -16.854 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.778 -4.724 -16.905 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.854 -2.445 -21.955 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.418 -2.535 -23.304 1.00 0.00 C ATOM 1488 C GLU A 94 -8.131 -1.245 -24.075 1.00 0.00 C ATOM 1489 O GLU A 94 -8.874 -0.271 -23.950 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.929 -2.819 -23.251 1.00 0.00 C ATOM 1491 CG GLU A 94 -10.287 -4.103 -22.484 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.782 -4.440 -22.556 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -12.600 -3.513 -22.760 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -12.110 -5.635 -22.380 1.00 0.00 O ATOM 0 H GLU A 94 -8.102 -1.581 -21.474 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.945 -3.367 -23.826 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.433 -1.973 -22.783 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.312 -2.895 -24.269 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.711 -4.935 -22.889 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.994 -3.991 -21.440 1.00 0.00 H new ATOM 1501 N ALA A 95 -7.039 -1.225 -24.843 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.692 -0.121 -25.732 1.00 0.00 C ATOM 1503 C ALA A 95 -7.393 -0.280 -27.093 1.00 0.00 C ATOM 1504 O ALA A 95 -6.911 -1.020 -27.949 1.00 0.00 O ATOM 1505 CB ALA A 95 -5.171 0.011 -25.867 1.00 0.00 C ATOM 0 H ALA A 95 -6.363 -1.988 -24.863 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.052 0.810 -25.295 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.936 0.840 -26.534 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.734 0.199 -24.886 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.761 -0.912 -26.277 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.526 0.410 -27.291 1.00 0.00 N ATOM 1512 CA GLY A 96 -9.187 0.511 -28.601 1.00 0.00 C ATOM 1513 C GLY A 96 -8.305 1.224 -29.634 1.00 0.00 C ATOM 1514 O GLY A 96 -8.216 0.794 -30.781 1.00 0.00 O ATOM 0 H GLY A 96 -9.010 0.914 -26.548 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.433 -0.488 -28.961 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.128 1.051 -28.492 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.594 2.262 -29.188 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.288 2.674 -29.711 1.00 0.00 C ATOM 1520 C ASP A 97 -5.440 3.132 -28.499 1.00 0.00 C ATOM 1521 O ASP A 97 -6.007 3.623 -27.520 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.473 3.772 -30.786 1.00 0.00 C ATOM 1523 CG ASP A 97 -5.176 4.377 -31.341 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -4.396 3.660 -32.017 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -4.958 5.577 -31.042 1.00 0.00 O ATOM 0 H ASP A 97 -7.921 2.859 -28.428 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.767 1.858 -30.212 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.042 3.352 -31.616 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.075 4.575 -30.361 1.00 0.00 H new ATOM 1530 N SER A 98 -4.106 3.050 -28.500 1.00 0.00 N ATOM 1531 CA SER A 98 -3.261 2.386 -29.494 1.00 0.00 C ATOM 1532 C SER A 98 -2.604 1.106 -28.962 1.00 0.00 C ATOM 1533 O SER A 98 -2.773 0.735 -27.805 1.00 0.00 O ATOM 1534 CB SER A 98 -2.273 3.400 -30.070 1.00 0.00 C ATOM 1535 OG SER A 98 -2.053 3.020 -31.403 1.00 0.00 O ATOM 0 H SER A 98 -3.552 3.475 -27.756 1.00 0.00 H new ATOM 0 HA SER A 98 -3.888 2.030 -30.312 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.677 4.411 -30.015 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.340 3.398 -29.506 1.00 0.00 H new ATOM 0 HG SER A 98 -2.914 2.909 -31.858 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.846 0.400 -29.799 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.452 -0.996 -29.568 1.00 0.00 C ATOM 1543 C ASP A 99 -0.405 -1.231 -28.448 1.00 0.00 C ATOM 1544 O ASP A 99 0.202 -2.296 -28.410 1.00 0.00 O ATOM 1545 CB ASP A 99 -1.044 -1.634 -30.912 1.00 0.00 C ATOM 1546 CG ASP A 99 0.417 -1.392 -31.301 1.00 0.00 C ATOM 1547 OD1 ASP A 99 0.870 -0.232 -31.180 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.098 -2.379 -31.665 1.00 0.00 O ATOM 0 H ASP A 99 -1.481 0.784 -30.671 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.331 -1.501 -29.167 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.222 -2.708 -30.861 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.688 -1.241 -31.699 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.177 -0.291 -27.517 1.00 0.00 N ATOM 1554 CA ILE A 100 0.907 -0.340 -26.508 1.00 0.00 C ATOM 1555 C ILE A 100 0.906 -1.632 -25.668 1.00 0.00 C ATOM 1556 O ILE A 100 1.961 -2.127 -25.258 1.00 0.00 O ATOM 1557 CB ILE A 100 0.860 0.921 -25.607 1.00 0.00 C ATOM 1558 CG1 ILE A 100 2.258 1.240 -25.043 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.145 0.788 -24.442 1.00 0.00 C ATOM 1560 CD1 ILE A 100 2.333 2.599 -24.335 1.00 0.00 C ATOM 0 H ILE A 100 -0.753 0.547 -27.438 1.00 0.00 H new ATOM 0 HA ILE A 100 1.848 -0.350 -27.058 1.00 0.00 H new ATOM 0 HB ILE A 100 0.521 1.738 -26.244 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.546 0.457 -24.342 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.983 1.222 -25.857 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.134 1.701 -23.846 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.146 0.628 -24.842 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.135 -0.058 -23.815 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.345 2.760 -23.962 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.076 3.391 -25.039 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.632 2.614 -23.500 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.289 -2.194 -25.441 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.514 -3.456 -24.742 1.00 0.00 C ATOM 1574 C LEU A 101 -0.081 -4.729 -25.503 1.00 0.00 C ATOM 1575 O LEU A 101 0.033 -5.798 -24.892 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.893 -3.512 -24.080 1.00 0.00 C ATOM 1577 CG LEU A 101 -3.119 -2.796 -24.674 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.183 -3.730 -25.249 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -3.709 -2.051 -23.481 1.00 0.00 C ATOM 0 H LEU A 101 -1.157 -1.760 -25.754 1.00 0.00 H new ATOM 0 HA LEU A 101 0.200 -3.462 -23.918 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.157 -4.566 -23.995 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.769 -3.132 -23.066 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.815 -2.172 -25.514 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.009 -3.140 -25.645 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.748 -4.328 -26.049 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.552 -4.389 -24.463 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.596 -1.502 -23.797 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.982 -2.766 -22.705 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.971 -1.352 -23.087 1.00 0.00 H new ATOM 1591 N THR A 102 0.276 -4.600 -26.786 1.00 0.00 N ATOM 1592 CA THR A 102 1.298 -5.427 -27.449 1.00 0.00 C ATOM 1593 C THR A 102 2.619 -4.658 -27.507 1.00 0.00 C ATOM 1594 O THR A 102 3.589 -5.075 -26.877 1.00 0.00 O ATOM 1595 CB THR A 102 0.863 -5.982 -28.831 1.00 0.00 C ATOM 1596 OG1 THR A 102 1.985 -6.228 -29.658 1.00 0.00 O ATOM 1597 CG2 THR A 102 -0.100 -5.140 -29.664 1.00 0.00 C ATOM 0 H THR A 102 -0.143 -3.907 -27.406 1.00 0.00 H new ATOM 0 HA THR A 102 1.438 -6.322 -26.843 1.00 0.00 H new ATOM 0 HB THR A 102 0.322 -6.882 -28.538 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.283 -5.387 -30.064 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.314 -5.653 -30.602 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.028 -4.994 -29.111 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.353 -4.171 -29.875 1.00 0.00 H new ATOM 1605 N THR A 103 2.659 -3.545 -28.245 1.00 0.00 N ATOM 1606 CA THR A 103 3.879 -2.939 -28.787 1.00 0.00 C ATOM 1607 C THR A 103 4.256 -1.631 -28.078 1.00 0.00 C ATOM 1608 O THR A 103 3.854 -0.544 -28.498 1.00 0.00 O ATOM 1609 CB THR A 103 3.745 -2.757 -30.314 1.00 0.00 C ATOM 1610 OG1 THR A 103 2.907 -3.747 -30.885 1.00 0.00 O ATOM 1611 CG2 THR A 103 5.105 -2.818 -31.006 1.00 0.00 C ATOM 0 H THR A 103 1.817 -3.024 -28.490 1.00 0.00 H new ATOM 0 HA THR A 103 4.706 -3.623 -28.594 1.00 0.00 H new ATOM 0 HB THR A 103 3.302 -1.773 -30.467 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.998 -3.393 -30.976 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.973 -2.686 -32.080 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.746 -2.026 -30.619 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.568 -3.786 -30.813 1.00 0.00 H new ATOM 1619 N LEU A 104 5.047 -1.721 -27.005 1.00 0.00 N ATOM 1620 CA LEU A 104 5.612 -0.588 -26.261 1.00 0.00 C ATOM 1621 C LEU A 104 7.102 -0.315 -26.561 1.00 0.00 C ATOM 1622 O LEU A 104 7.483 0.850 -26.610 1.00 0.00 O ATOM 1623 CB LEU A 104 5.304 -0.854 -24.782 1.00 0.00 C ATOM 1624 CG LEU A 104 5.639 0.183 -23.703 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.950 -0.358 -22.449 1.00 0.00 C ATOM 1626 CD2 LEU A 104 7.136 0.291 -23.386 1.00 0.00 C ATOM 0 H LEU A 104 5.323 -2.621 -26.614 1.00 0.00 H new ATOM 0 HA LEU A 104 5.151 0.346 -26.581 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.235 -1.054 -24.710 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.820 -1.775 -24.510 1.00 0.00 H new ATOM 0 HG LEU A 104 5.323 1.172 -24.036 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.131 0.318 -21.614 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.877 -0.435 -22.628 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.350 -1.344 -22.211 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.291 1.045 -22.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.503 -0.672 -23.032 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.679 0.577 -24.287 1.00 0.00 H new ATOM 1638 N ALA A 105 7.991 -1.278 -26.842 1.00 0.00 N ATOM 1639 CA ALA A 105 7.866 -2.741 -26.864 1.00 0.00 C ATOM 1640 C ALA A 105 7.615 -3.369 -25.494 1.00 0.00 C ATOM 1641 O ALA A 105 6.474 -3.855 -25.323 1.00 0.00 O ATOM 1642 CB ALA A 105 9.090 -3.340 -27.575 1.00 0.00 C ATOM 1643 OXT ALA A 105 8.533 -3.338 -24.646 1.00 0.00 O ATOM 0 H ALA A 105 8.943 -1.011 -27.093 1.00 0.00 H new ATOM 0 HA ALA A 105 6.966 -2.986 -27.428 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.004 -4.426 -27.595 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.139 -2.961 -28.596 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.996 -3.058 -27.039 1.00 0.00 H new TER 1649 ALA A 105