USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1037 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 95 GLN : amide:sc= -4.73! C(o=-4.7!,f=-7.4!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.909) USER MOD Set 2.1: A 51 TYR OH : rot 30:sc= 1.04 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.0347) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.081) USER MOD Single : A 6 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.17) USER MOD Single : A 7 SER OG : rot -123:sc= 0.464 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.814 K(o=0.81,f=-6.2!) USER MOD Single : A 24 THR OG1 : rot 119:sc= -0.802 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.094) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -95:sc= 1.15 USER MOD Single : A 42 SER OG : rot 64:sc= 0.15 USER MOD Single : A 46 ASN : amide:sc=-0.000697 K(o=-0.0007,f=-2.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.509) USER MOD Single : A 61 GLN : amide:sc= -4.83! C(o=-4.8!,f=-6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0685 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.971 K(o=-0.97,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 140:sc= -4.22! USER MOD Single : A 84 SER OG : rot 83:sc= 1.29 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00578 USER MOD Single : A 102 SER OG : rot -22:sc= 0.87 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 30:sc= -0.259 USER MOD Single : A 114 ASN : amide:sc= -4.75! K(o=-4.7!,f=-0.37) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 12.905 -5.785 -25.504 1.00 0.00 N ATOM 2 CA LYS A 2 12.749 -7.255 -25.437 1.00 0.00 C ATOM 3 C LYS A 2 11.308 -7.632 -25.101 1.00 0.00 C ATOM 4 O LYS A 2 11.059 -8.365 -24.143 1.00 0.00 O ATOM 5 CB LYS A 2 13.696 -7.851 -24.385 1.00 0.00 C ATOM 6 CG LYS A 2 15.005 -8.386 -24.954 1.00 0.00 C ATOM 7 CD LYS A 2 15.810 -7.301 -25.649 1.00 0.00 C ATOM 8 CE LYS A 2 17.083 -7.856 -26.272 1.00 0.00 C ATOM 9 NZ LYS A 2 17.808 -6.826 -27.060 1.00 0.00 N1+ ATOM 0 HA LYS A 2 13.001 -7.663 -26.416 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.922 -7.087 -23.641 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.181 -8.659 -23.866 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.600 -8.819 -24.150 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.792 -9.188 -25.661 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.200 -6.834 -26.422 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.066 -6.522 -24.931 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.735 -8.238 -25.487 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.834 -8.698 -26.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.669 -7.243 -27.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.195 -6.479 -27.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.068 -6.033 -26.439 1.00 0.00 H new ATOM 25 N VAL A 3 10.356 -7.132 -25.886 1.00 0.00 N ATOM 26 CA VAL A 3 8.950 -7.450 -25.655 1.00 0.00 C ATOM 27 C VAL A 3 8.489 -8.595 -26.552 1.00 0.00 C ATOM 28 O VAL A 3 7.552 -9.316 -26.216 1.00 0.00 O ATOM 29 CB VAL A 3 8.026 -6.227 -25.858 1.00 0.00 C ATOM 30 CG1 VAL A 3 8.351 -5.140 -24.845 1.00 0.00 C ATOM 31 CG2 VAL A 3 8.132 -5.689 -27.276 1.00 0.00 C ATOM 0 H VAL A 3 10.530 -6.513 -26.678 1.00 0.00 H new ATOM 0 HA VAL A 3 8.875 -7.757 -24.612 1.00 0.00 H new ATOM 0 HB VAL A 3 6.997 -6.551 -25.700 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.691 -4.287 -25.003 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.208 -5.528 -23.836 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.387 -4.825 -24.969 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.471 -4.830 -27.389 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.160 -5.385 -27.474 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.841 -6.466 -27.983 1.00 0.00 H new ATOM 41 N GLN A 4 9.160 -8.770 -27.685 1.00 0.00 N ATOM 42 CA GLN A 4 8.826 -9.848 -28.609 1.00 0.00 C ATOM 43 C GLN A 4 9.425 -11.160 -28.130 1.00 0.00 C ATOM 44 O GLN A 4 8.861 -12.233 -28.331 1.00 0.00 O ATOM 45 CB GLN A 4 9.332 -9.521 -30.017 1.00 0.00 C ATOM 46 CG GLN A 4 8.647 -8.312 -30.634 1.00 0.00 C ATOM 47 CD GLN A 4 7.175 -8.550 -30.922 1.00 0.00 C ATOM 48 OE1 GLN A 4 6.357 -7.633 -30.836 1.00 0.00 O ATOM 49 NE2 GLN A 4 6.830 -9.779 -31.278 1.00 0.00 N ATOM 0 H GLN A 4 9.937 -8.181 -27.985 1.00 0.00 H new ATOM 0 HA GLN A 4 7.741 -9.950 -28.642 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.406 -9.341 -29.977 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.178 -10.386 -30.662 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.747 -7.461 -29.961 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.155 -8.047 -31.561 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.538 -10.511 -31.337 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.856 -9.993 -31.493 1.00 0.00 H new ATOM 58 N GLU A 5 10.563 -11.058 -27.459 1.00 0.00 N ATOM 59 CA GLU A 5 11.274 -12.220 -26.951 1.00 0.00 C ATOM 60 C GLU A 5 10.605 -12.768 -25.690 1.00 0.00 C ATOM 61 O GLU A 5 11.141 -13.653 -25.027 1.00 0.00 O ATOM 62 CB GLU A 5 12.737 -11.862 -26.658 1.00 0.00 C ATOM 63 CG GLU A 5 13.492 -11.301 -27.859 1.00 0.00 C ATOM 64 CD GLU A 5 13.418 -9.785 -27.969 1.00 0.00 C ATOM 65 OE1 GLU A 5 12.376 -9.201 -27.606 1.00 0.00 O ATOM 66 OE2 GLU A 5 14.406 -9.169 -28.428 1.00 0.00 O1- ATOM 0 H GLU A 5 11.018 -10.169 -27.252 1.00 0.00 H new ATOM 0 HA GLU A 5 11.243 -12.995 -27.717 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.766 -11.131 -25.850 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.254 -12.753 -26.301 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.538 -11.602 -27.794 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.089 -11.743 -28.770 1.00 0.00 H new ATOM 73 N GLN A 6 9.429 -12.238 -25.368 1.00 0.00 N ATOM 74 CA GLN A 6 8.664 -12.701 -24.216 1.00 0.00 C ATOM 75 C GLN A 6 7.674 -13.781 -24.637 1.00 0.00 C ATOM 76 O GLN A 6 6.876 -14.257 -23.830 1.00 0.00 O ATOM 77 CB GLN A 6 7.915 -11.532 -23.565 1.00 0.00 C ATOM 78 CG GLN A 6 8.833 -10.438 -23.044 1.00 0.00 C ATOM 79 CD GLN A 6 8.078 -9.255 -22.459 1.00 0.00 C ATOM 80 OE1 GLN A 6 8.563 -8.590 -21.542 1.00 0.00 O ATOM 81 NE2 GLN A 6 6.895 -8.977 -22.987 1.00 0.00 N ATOM 0 H GLN A 6 8.984 -11.484 -25.892 1.00 0.00 H new ATOM 0 HA GLN A 6 9.359 -13.122 -23.489 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.227 -11.102 -24.292 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.311 -11.912 -22.741 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.490 -10.856 -22.281 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.470 -10.089 -23.857 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.527 -9.551 -23.745 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.352 -8.189 -22.635 1.00 0.00 H new ATOM 90 N SER A 7 7.723 -14.157 -25.910 1.00 0.00 N ATOM 91 CA SER A 7 6.827 -15.171 -26.443 1.00 0.00 C ATOM 92 C SER A 7 7.468 -16.558 -26.323 1.00 0.00 C ATOM 93 O SER A 7 8.427 -16.741 -25.568 1.00 0.00 O ATOM 94 CB SER A 7 6.489 -14.849 -27.906 1.00 0.00 C ATOM 95 OG SER A 7 5.392 -15.627 -28.367 1.00 0.00 O ATOM 0 H SER A 7 8.376 -13.772 -26.592 1.00 0.00 H new ATOM 0 HA SER A 7 5.902 -15.173 -25.866 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.252 -13.789 -28.002 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.360 -15.038 -28.533 1.00 0.00 H new ATOM 0 HG SER A 7 5.662 -16.136 -29.160 1.00 0.00 H new ATOM 101 N VAL A 8 6.938 -17.521 -27.076 1.00 0.00 N ATOM 102 CA VAL A 8 7.386 -18.912 -27.017 1.00 0.00 C ATOM 103 C VAL A 8 7.159 -19.472 -25.613 1.00 0.00 C ATOM 104 O VAL A 8 8.094 -19.856 -24.909 1.00 0.00 O ATOM 105 CB VAL A 8 8.872 -19.072 -27.432 1.00 0.00 C ATOM 106 CG1 VAL A 8 9.249 -20.543 -27.565 1.00 0.00 C ATOM 107 CG2 VAL A 8 9.148 -18.339 -28.737 1.00 0.00 C ATOM 0 H VAL A 8 6.185 -17.359 -27.745 1.00 0.00 H new ATOM 0 HA VAL A 8 6.794 -19.479 -27.736 1.00 0.00 H new ATOM 0 HB VAL A 8 9.486 -18.631 -26.647 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.296 -20.625 -27.857 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.098 -21.045 -26.609 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.623 -21.012 -28.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.196 -18.464 -29.010 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.516 -18.749 -29.525 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.930 -17.278 -28.612 1.00 0.00 H new ATOM 117 N GLY A 9 5.899 -19.493 -25.208 1.00 0.00 N ATOM 118 CA GLY A 9 5.545 -20.003 -23.902 1.00 0.00 C ATOM 119 C GLY A 9 4.782 -21.303 -23.999 1.00 0.00 C ATOM 120 O GLY A 9 4.155 -21.744 -23.034 1.00 0.00 O ATOM 0 H GLY A 9 5.111 -19.163 -25.765 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.449 -20.155 -23.313 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.941 -19.265 -23.374 1.00 0.00 H new ATOM 124 N ALA A 10 4.820 -21.909 -25.180 1.00 0.00 N ATOM 125 CA ALA A 10 4.180 -23.199 -25.404 1.00 0.00 C ATOM 126 C ALA A 10 4.818 -24.297 -24.542 1.00 0.00 C ATOM 127 O ALA A 10 4.111 -24.976 -23.794 1.00 0.00 O ATOM 128 CB ALA A 10 4.218 -23.573 -26.884 1.00 0.00 C ATOM 0 H ALA A 10 5.290 -21.525 -26.000 1.00 0.00 H new ATOM 0 HA ALA A 10 3.136 -23.110 -25.103 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.735 -24.539 -27.028 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.693 -22.815 -27.465 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.254 -23.632 -27.218 1.00 0.00 H new ATOM 134 N PRO A 11 6.156 -24.497 -24.616 1.00 0.00 N ATOM 135 CA PRO A 11 6.825 -25.521 -23.813 1.00 0.00 C ATOM 136 C PRO A 11 6.930 -25.120 -22.344 1.00 0.00 C ATOM 137 O PRO A 11 7.363 -24.010 -22.023 1.00 0.00 O ATOM 138 CB PRO A 11 8.215 -25.618 -24.444 1.00 0.00 C ATOM 139 CG PRO A 11 8.460 -24.272 -25.032 1.00 0.00 C ATOM 140 CD PRO A 11 7.116 -23.758 -25.468 1.00 0.00 C ATOM 0 HA PRO A 11 6.279 -26.464 -23.814 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.971 -25.868 -23.700 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.250 -26.395 -25.207 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.914 -23.604 -24.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.146 -24.334 -25.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.034 -22.681 -25.321 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.940 -23.949 -26.526 1.00 0.00 H new ATOM 148 N PRO A 12 6.518 -26.014 -21.432 1.00 0.00 N ATOM 149 CA PRO A 12 6.618 -25.780 -19.989 1.00 0.00 C ATOM 150 C PRO A 12 8.071 -25.643 -19.540 1.00 0.00 C ATOM 151 O PRO A 12 8.942 -26.375 -20.013 1.00 0.00 O ATOM 152 CB PRO A 12 5.977 -27.028 -19.365 1.00 0.00 C ATOM 153 CG PRO A 12 5.190 -27.658 -20.463 1.00 0.00 C ATOM 154 CD PRO A 12 5.912 -27.319 -21.735 1.00 0.00 C ATOM 0 HA PRO A 12 6.129 -24.853 -19.690 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.736 -27.711 -18.984 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.336 -26.762 -18.524 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.125 -28.738 -20.327 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.169 -27.277 -20.480 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.666 -28.066 -21.983 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.230 -27.260 -22.583 1.00 0.00 H new ATOM 162 N PRO A 13 8.353 -24.707 -18.619 1.00 0.00 N ATOM 163 CA PRO A 13 9.714 -24.447 -18.134 1.00 0.00 C ATOM 164 C PRO A 13 10.192 -25.500 -17.135 1.00 0.00 C ATOM 165 O PRO A 13 10.851 -25.182 -16.143 1.00 0.00 O ATOM 166 CB PRO A 13 9.581 -23.081 -17.461 1.00 0.00 C ATOM 167 CG PRO A 13 8.167 -23.027 -16.990 1.00 0.00 C ATOM 168 CD PRO A 13 7.359 -23.821 -17.982 1.00 0.00 C ATOM 0 HA PRO A 13 10.451 -24.476 -18.937 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.279 -22.979 -16.630 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.797 -22.273 -18.160 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.075 -23.447 -15.989 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.814 -21.997 -16.937 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.571 -24.392 -17.490 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.874 -23.173 -18.713 1.00 0.00 H new ATOM 176 N GLY A 14 9.866 -26.755 -17.412 1.00 0.00 N ATOM 177 CA GLY A 14 10.228 -27.837 -16.525 1.00 0.00 C ATOM 178 C GLY A 14 9.460 -27.781 -15.220 1.00 0.00 C ATOM 179 O GLY A 14 8.243 -27.987 -15.196 1.00 0.00 O ATOM 0 H GLY A 14 9.352 -27.043 -18.245 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.036 -28.790 -17.018 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.297 -27.795 -16.319 1.00 0.00 H new ATOM 183 N ARG A 15 10.167 -27.483 -14.143 1.00 0.00 N ATOM 184 CA ARG A 15 9.558 -27.390 -12.827 1.00 0.00 C ATOM 185 C ARG A 15 10.198 -26.261 -12.022 1.00 0.00 C ATOM 186 O ARG A 15 11.424 -26.195 -11.893 1.00 0.00 O ATOM 187 CB ARG A 15 9.702 -28.717 -12.078 1.00 0.00 C ATOM 188 CG ARG A 15 9.184 -28.657 -10.657 1.00 0.00 C ATOM 189 CD ARG A 15 9.407 -29.959 -9.910 1.00 0.00 C ATOM 190 NE ARG A 15 9.167 -29.780 -8.484 1.00 0.00 N ATOM 191 CZ ARG A 15 8.974 -30.760 -7.608 1.00 0.00 C ATOM 192 NH1 ARG A 15 8.992 -32.034 -7.985 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 8.751 -30.449 -6.339 1.00 0.00 N ATOM 0 H ARG A 15 11.170 -27.300 -14.155 1.00 0.00 H new ATOM 0 HA ARG A 15 8.498 -27.172 -12.953 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.165 -29.494 -12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.753 -29.007 -12.063 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.680 -27.845 -10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.119 -28.425 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.742 -30.728 -10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.427 -30.307 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 15 9.145 -28.824 -8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.156 -32.274 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.842 -32.772 -7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.730 -29.471 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.601 -31.188 -5.652 1.00 0.00 H new ATOM 207 N ALA A 16 9.368 -25.371 -11.497 1.00 0.00 N ATOM 208 CA ALA A 16 9.847 -24.255 -10.694 1.00 0.00 C ATOM 209 C ALA A 16 8.974 -24.060 -9.455 1.00 0.00 C ATOM 210 O ALA A 16 7.921 -23.425 -9.516 1.00 0.00 O ATOM 211 CB ALA A 16 9.888 -22.978 -11.525 1.00 0.00 C ATOM 0 H ALA A 16 8.355 -25.401 -11.614 1.00 0.00 H new ATOM 0 HA ALA A 16 10.859 -24.486 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.248 -22.154 -10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.559 -23.117 -12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.886 -22.748 -11.888 1.00 0.00 H new ATOM 217 N ASP A 17 9.419 -24.619 -8.338 1.00 0.00 N ATOM 218 CA ASP A 17 8.715 -24.478 -7.063 1.00 0.00 C ATOM 219 C ASP A 17 9.032 -23.124 -6.454 1.00 0.00 C ATOM 220 O ASP A 17 8.258 -22.575 -5.670 1.00 0.00 O ATOM 221 CB ASP A 17 9.141 -25.576 -6.077 1.00 0.00 C ATOM 222 CG ASP A 17 8.908 -26.979 -6.597 1.00 0.00 C ATOM 223 OD1 ASP A 17 9.588 -27.381 -7.559 1.00 0.00 O ATOM 224 OD2 ASP A 17 8.061 -27.704 -6.027 1.00 0.00 O1- ATOM 0 H ASP A 17 10.270 -25.179 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 17 7.645 -24.567 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.199 -25.454 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.593 -25.447 -5.144 1.00 0.00 H new ATOM 229 N LYS A 18 10.187 -22.600 -6.826 1.00 0.00 N ATOM 230 CA LYS A 18 10.687 -21.349 -6.286 1.00 0.00 C ATOM 231 C LYS A 18 10.151 -20.157 -7.076 1.00 0.00 C ATOM 232 O LYS A 18 10.002 -20.222 -8.298 1.00 0.00 O ATOM 233 CB LYS A 18 12.217 -21.370 -6.304 1.00 0.00 C ATOM 234 CG LYS A 18 12.810 -21.695 -7.671 1.00 0.00 C ATOM 235 CD LYS A 18 14.309 -21.949 -7.597 1.00 0.00 C ATOM 236 CE LYS A 18 14.626 -23.188 -6.769 1.00 0.00 C ATOM 237 NZ LYS A 18 16.072 -23.528 -6.801 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.805 -23.032 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 18 10.340 -21.241 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.589 -20.398 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.570 -22.105 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.313 -22.574 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.616 -20.870 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.708 -22.071 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.805 -21.082 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.316 -23.023 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.047 -24.032 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.242 -24.377 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.364 -23.712 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.624 -22.734 -6.419 1.00 0.00 H new ATOM 251 N THR A 19 9.855 -19.075 -6.369 1.00 0.00 N ATOM 252 CA THR A 19 9.340 -17.868 -6.999 1.00 0.00 C ATOM 253 C THR A 19 10.445 -16.820 -7.116 1.00 0.00 C ATOM 254 O THR A 19 10.375 -15.920 -7.954 1.00 0.00 O ATOM 255 CB THR A 19 8.133 -17.289 -6.216 1.00 0.00 C ATOM 256 OG1 THR A 19 7.594 -16.144 -6.894 1.00 0.00 O ATOM 257 CG2 THR A 19 8.527 -16.901 -4.800 1.00 0.00 C ATOM 0 H THR A 19 9.963 -19.009 -5.357 1.00 0.00 H new ATOM 0 HA THR A 19 8.993 -18.135 -7.997 1.00 0.00 H new ATOM 0 HB THR A 19 7.373 -18.069 -6.164 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.832 -15.792 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.659 -16.499 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.894 -17.780 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.312 -16.145 -4.835 1.00 0.00 H new ATOM 265 N ALA A 20 11.468 -16.950 -6.279 1.00 0.00 N ATOM 266 CA ALA A 20 12.604 -16.041 -6.313 1.00 0.00 C ATOM 267 C ALA A 20 13.601 -16.484 -7.379 1.00 0.00 C ATOM 268 O ALA A 20 14.567 -17.193 -7.089 1.00 0.00 O ATOM 269 CB ALA A 20 13.273 -15.973 -4.946 1.00 0.00 C ATOM 0 H ALA A 20 11.532 -17.678 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 20 12.246 -15.043 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.120 -15.289 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.556 -15.616 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.622 -16.966 -4.662 1.00 0.00 H new ATOM 275 N ALA A 21 13.357 -16.068 -8.615 1.00 0.00 N ATOM 276 CA ALA A 21 14.181 -16.495 -9.736 1.00 0.00 C ATOM 277 C ALA A 21 14.317 -15.412 -10.819 1.00 0.00 C ATOM 278 O ALA A 21 15.440 -15.070 -11.193 1.00 0.00 O ATOM 279 CB ALA A 21 13.633 -17.786 -10.334 1.00 0.00 C ATOM 0 H ALA A 21 12.596 -15.436 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 21 15.183 -16.676 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.259 -18.094 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.633 -18.568 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.614 -17.621 -10.684 1.00 0.00 H new ATOM 285 N PRO A 22 13.198 -14.860 -11.354 1.00 0.00 N ATOM 286 CA PRO A 22 13.260 -13.890 -12.458 1.00 0.00 C ATOM 287 C PRO A 22 13.872 -12.551 -12.044 1.00 0.00 C ATOM 288 O PRO A 22 15.084 -12.358 -12.152 1.00 0.00 O ATOM 289 CB PRO A 22 11.796 -13.707 -12.889 1.00 0.00 C ATOM 290 CG PRO A 22 11.043 -14.808 -12.219 1.00 0.00 C ATOM 291 CD PRO A 22 11.804 -15.126 -10.964 1.00 0.00 C ATOM 0 HA PRO A 22 13.903 -14.253 -13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.417 -12.731 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.696 -13.766 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.023 -14.500 -11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.974 -15.683 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.490 -14.498 -10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.661 -16.161 -10.655 1.00 0.00 H new ATOM 299 N GLN A 23 13.041 -11.638 -11.555 1.00 0.00 N ATOM 300 CA GLN A 23 13.508 -10.311 -11.174 1.00 0.00 C ATOM 301 C GLN A 23 13.041 -9.971 -9.766 1.00 0.00 C ATOM 302 O GLN A 23 12.788 -8.809 -9.430 1.00 0.00 O ATOM 303 CB GLN A 23 12.999 -9.272 -12.167 1.00 0.00 C ATOM 304 CG GLN A 23 13.756 -7.957 -12.138 1.00 0.00 C ATOM 305 CD GLN A 23 15.171 -8.096 -12.657 1.00 0.00 C ATOM 306 OE1 GLN A 23 16.099 -8.366 -11.900 1.00 0.00 O ATOM 307 NE2 GLN A 23 15.343 -7.916 -13.955 1.00 0.00 N ATOM 0 H GLN A 23 12.043 -11.792 -11.413 1.00 0.00 H new ATOM 0 HA GLN A 23 14.598 -10.305 -11.188 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.057 -9.689 -13.173 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.946 -9.076 -11.963 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.222 -7.220 -12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.782 -7.578 -11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.545 -7.693 -14.549 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.274 -8.000 -14.363 1.00 0.00 H new ATOM 316 N THR A 24 12.941 -10.993 -8.939 1.00 0.00 N ATOM 317 CA THR A 24 12.563 -10.820 -7.551 1.00 0.00 C ATOM 318 C THR A 24 13.668 -10.103 -6.782 1.00 0.00 C ATOM 319 O THR A 24 13.466 -9.648 -5.657 1.00 0.00 O ATOM 320 CB THR A 24 12.263 -12.183 -6.904 1.00 0.00 C ATOM 321 OG1 THR A 24 13.165 -13.166 -7.426 1.00 0.00 O ATOM 322 CG2 THR A 24 10.825 -12.607 -7.172 1.00 0.00 C ATOM 0 H THR A 24 13.118 -11.961 -9.208 1.00 0.00 H new ATOM 0 HA THR A 24 11.661 -10.209 -7.513 1.00 0.00 H new ATOM 0 HB THR A 24 12.397 -12.095 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.704 -13.536 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.638 -13.574 -6.704 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.143 -11.865 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.663 -12.687 -8.247 1.00 0.00 H new ATOM 330 N ARG A 25 14.831 -9.984 -7.417 1.00 0.00 N ATOM 331 CA ARG A 25 15.956 -9.277 -6.824 1.00 0.00 C ATOM 332 C ARG A 25 15.703 -7.774 -6.849 1.00 0.00 C ATOM 333 O ARG A 25 16.377 -7.008 -6.165 1.00 0.00 O ATOM 334 CB ARG A 25 17.257 -9.601 -7.565 1.00 0.00 C ATOM 335 CG ARG A 25 17.271 -9.135 -9.009 1.00 0.00 C ATOM 336 CD ARG A 25 18.594 -9.448 -9.681 1.00 0.00 C ATOM 337 NE ARG A 25 18.641 -8.934 -11.049 1.00 0.00 N ATOM 338 CZ ARG A 25 19.757 -8.532 -11.655 1.00 0.00 C ATOM 339 NH1 ARG A 25 20.915 -8.567 -11.008 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 19.716 -8.089 -12.907 1.00 0.00 N ATOM 0 H ARG A 25 15.016 -10.369 -8.343 1.00 0.00 H new ATOM 0 HA ARG A 25 16.058 -9.606 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 25 18.090 -9.139 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.421 -10.678 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.461 -9.617 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.087 -8.061 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 25 19.408 -9.014 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 25 18.750 -10.527 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 25 17.766 -8.880 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 25 20.951 -8.902 -10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 25 21.769 -8.259 -11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.828 -8.056 -13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.573 -7.782 -13.368 1.00 0.00 H new ATOM 354 N LEU A 26 14.727 -7.357 -7.646 1.00 0.00 N ATOM 355 CA LEU A 26 14.353 -5.955 -7.730 1.00 0.00 C ATOM 356 C LEU A 26 12.931 -5.756 -7.223 1.00 0.00 C ATOM 357 O LEU A 26 12.115 -5.087 -7.859 1.00 0.00 O ATOM 358 CB LEU A 26 14.476 -5.444 -9.169 1.00 0.00 C ATOM 359 CG LEU A 26 15.890 -5.457 -9.752 1.00 0.00 C ATOM 360 CD1 LEU A 26 15.891 -4.877 -11.158 1.00 0.00 C ATOM 361 CD2 LEU A 26 16.846 -4.683 -8.858 1.00 0.00 C ATOM 0 H LEU A 26 14.179 -7.975 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 26 15.035 -5.382 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.833 -6.049 -9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.095 -4.424 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 26 16.230 -6.491 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.905 -4.894 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.239 -5.472 -11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.530 -3.849 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.846 -4.704 -9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.509 -3.650 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.869 -5.139 -7.868 1.00 0.00 H new ATOM 373 N THR A 27 12.624 -6.373 -6.091 1.00 0.00 N ATOM 374 CA THR A 27 11.325 -6.200 -5.464 1.00 0.00 C ATOM 375 C THR A 27 11.278 -4.861 -4.713 1.00 0.00 C ATOM 376 O THR A 27 12.224 -4.499 -4.002 1.00 0.00 O ATOM 377 CB THR A 27 10.996 -7.380 -4.514 1.00 0.00 C ATOM 378 OG1 THR A 27 9.656 -7.256 -4.018 1.00 0.00 O ATOM 379 CG2 THR A 27 11.972 -7.451 -3.343 1.00 0.00 C ATOM 0 H THR A 27 13.257 -6.997 -5.590 1.00 0.00 H new ATOM 0 HA THR A 27 10.565 -6.190 -6.246 1.00 0.00 H new ATOM 0 HB THR A 27 11.091 -8.301 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.458 -8.007 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.708 -8.291 -2.700 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.985 -7.588 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.921 -6.525 -2.770 1.00 0.00 H new ATOM 387 N PRO A 28 10.196 -4.089 -4.892 1.00 0.00 N ATOM 388 CA PRO A 28 10.048 -2.772 -4.289 1.00 0.00 C ATOM 389 C PRO A 28 9.458 -2.833 -2.882 1.00 0.00 C ATOM 390 O PRO A 28 8.262 -2.611 -2.685 1.00 0.00 O ATOM 391 CB PRO A 28 9.086 -2.046 -5.242 1.00 0.00 C ATOM 392 CG PRO A 28 8.592 -3.077 -6.218 1.00 0.00 C ATOM 393 CD PRO A 28 9.028 -4.422 -5.703 1.00 0.00 C ATOM 0 HA PRO A 28 11.010 -2.274 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.256 -1.604 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.594 -1.233 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.507 -3.033 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.002 -2.894 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.248 -4.902 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.279 -5.105 -6.515 1.00 0.00 H new ATOM 401 N TYR A 29 10.295 -3.147 -1.906 1.00 0.00 N ATOM 402 CA TYR A 29 9.867 -3.152 -0.515 1.00 0.00 C ATOM 403 C TYR A 29 10.447 -1.952 0.226 1.00 0.00 C ATOM 404 O TYR A 29 11.648 -1.899 0.499 1.00 0.00 O ATOM 405 CB TYR A 29 10.279 -4.455 0.183 1.00 0.00 C ATOM 406 CG TYR A 29 9.999 -4.452 1.672 1.00 0.00 C ATOM 407 CD1 TYR A 29 8.697 -4.486 2.154 1.00 0.00 C ATOM 408 CD2 TYR A 29 11.039 -4.400 2.594 1.00 0.00 C ATOM 409 CE1 TYR A 29 8.438 -4.466 3.511 1.00 0.00 C ATOM 410 CE2 TYR A 29 10.787 -4.385 3.953 1.00 0.00 C ATOM 411 CZ TYR A 29 9.484 -4.414 4.406 1.00 0.00 C ATOM 412 OH TYR A 29 9.229 -4.385 5.761 1.00 0.00 O ATOM 0 H TYR A 29 11.272 -3.401 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 29 8.779 -3.084 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.749 -5.289 -0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.343 -4.625 0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.873 -4.529 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.060 -4.371 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.419 -4.491 3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 29 11.606 -4.351 4.657 1.00 0.00 H new ATOM 0 HH TYR A 29 10.076 -4.350 6.253 1.00 0.00 H new ATOM 422 N ALA A 30 9.591 -0.990 0.543 1.00 0.00 N ATOM 423 CA ALA A 30 10.009 0.201 1.266 1.00 0.00 C ATOM 424 C ALA A 30 8.843 0.797 2.044 1.00 0.00 C ATOM 425 O ALA A 30 7.776 1.037 1.478 1.00 0.00 O ATOM 426 CB ALA A 30 10.590 1.228 0.306 1.00 0.00 C ATOM 0 H ALA A 30 8.598 -1.013 0.309 1.00 0.00 H new ATOM 0 HA ALA A 30 10.783 -0.085 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.898 2.113 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.454 0.801 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.835 1.506 -0.429 1.00 0.00 H new ATOM 432 N GLN A 31 9.065 1.018 3.341 1.00 0.00 N ATOM 433 CA GLN A 31 8.062 1.596 4.237 1.00 0.00 C ATOM 434 C GLN A 31 6.746 0.817 4.169 1.00 0.00 C ATOM 435 O GLN A 31 5.722 1.332 3.722 1.00 0.00 O ATOM 436 CB GLN A 31 7.834 3.075 3.899 1.00 0.00 C ATOM 437 CG GLN A 31 7.112 3.849 4.994 1.00 0.00 C ATOM 438 CD GLN A 31 6.971 5.330 4.691 1.00 0.00 C ATOM 439 OE1 GLN A 31 6.032 5.982 5.151 1.00 0.00 O ATOM 440 NE2 GLN A 31 7.903 5.878 3.924 1.00 0.00 N ATOM 0 H GLN A 31 9.949 0.800 3.801 1.00 0.00 H new ATOM 0 HA GLN A 31 8.438 1.526 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.797 3.547 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.257 3.143 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.121 3.419 5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.653 3.727 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.666 5.306 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.857 6.871 3.697 1.00 0.00 H new ATOM 449 N ALA A 32 6.783 -0.431 4.615 1.00 0.00 N ATOM 450 CA ALA A 32 5.611 -1.289 4.558 1.00 0.00 C ATOM 451 C ALA A 32 5.458 -2.112 5.834 1.00 0.00 C ATOM 452 O ALA A 32 5.254 -3.328 5.787 1.00 0.00 O ATOM 453 CB ALA A 32 5.684 -2.194 3.338 1.00 0.00 C ATOM 0 H ALA A 32 7.610 -0.870 5.019 1.00 0.00 H new ATOM 0 HA ALA A 32 4.730 -0.653 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.801 -2.832 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.725 -1.585 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.578 -2.814 3.398 1.00 0.00 H new ATOM 459 N GLY A 33 5.571 -1.450 6.976 1.00 0.00 N ATOM 460 CA GLY A 33 5.353 -2.120 8.246 1.00 0.00 C ATOM 461 C GLY A 33 4.503 -1.291 9.188 1.00 0.00 C ATOM 462 O GLY A 33 4.728 -1.290 10.397 1.00 0.00 O ATOM 0 H GLY A 33 5.810 -0.461 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.868 -3.080 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.314 -2.329 8.715 1.00 0.00 H new ATOM 466 N GLU A 34 3.503 -0.617 8.622 1.00 0.00 N ATOM 467 CA GLU A 34 2.699 0.366 9.350 1.00 0.00 C ATOM 468 C GLU A 34 3.609 1.351 10.085 1.00 0.00 C ATOM 469 O GLU A 34 3.626 1.436 11.315 1.00 0.00 O ATOM 470 CB GLU A 34 1.700 -0.301 10.311 1.00 0.00 C ATOM 471 CG GLU A 34 0.845 0.689 11.108 1.00 0.00 C ATOM 472 CD GLU A 34 -0.011 1.605 10.245 1.00 0.00 C ATOM 473 OE1 GLU A 34 0.543 2.359 9.412 1.00 0.00 O ATOM 474 OE2 GLU A 34 -1.249 1.601 10.425 1.00 0.00 O1- ATOM 0 H GLU A 34 3.227 -0.736 7.647 1.00 0.00 H new ATOM 0 HA GLU A 34 2.106 0.919 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.042 -0.954 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.249 -0.934 11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.195 0.131 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.500 1.300 11.729 1.00 0.00 H new ATOM 481 N ASP A 35 4.382 2.080 9.300 1.00 0.00 N ATOM 482 CA ASP A 35 5.242 3.142 9.802 1.00 0.00 C ATOM 483 C ASP A 35 4.414 4.411 9.960 1.00 0.00 C ATOM 484 O ASP A 35 4.868 5.518 9.656 1.00 0.00 O ATOM 485 CB ASP A 35 6.390 3.385 8.816 1.00 0.00 C ATOM 486 CG ASP A 35 7.133 2.109 8.452 1.00 0.00 C ATOM 487 OD1 ASP A 35 6.559 1.262 7.728 1.00 0.00 O ATOM 488 OD2 ASP A 35 8.300 1.956 8.875 1.00 0.00 O1- ATOM 0 H ASP A 35 4.433 1.953 8.289 1.00 0.00 H new ATOM 0 HA ASP A 35 5.662 2.856 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.993 3.841 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.091 4.097 9.250 1.00 0.00 H new ATOM 493 N ASN A 36 3.185 4.214 10.435 1.00 0.00 N ATOM 494 CA ASN A 36 2.174 5.262 10.505 1.00 0.00 C ATOM 495 C ASN A 36 1.919 5.865 9.135 1.00 0.00 C ATOM 496 O ASN A 36 2.145 7.053 8.912 1.00 0.00 O ATOM 497 CB ASN A 36 2.546 6.359 11.511 1.00 0.00 C ATOM 498 CG ASN A 36 2.237 5.964 12.941 1.00 0.00 C ATOM 499 OD1 ASN A 36 1.112 6.133 13.410 1.00 0.00 O ATOM 500 ND2 ASN A 36 3.232 5.459 13.648 1.00 0.00 N ATOM 0 H ASN A 36 2.862 3.312 10.785 1.00 0.00 H new ATOM 0 HA ASN A 36 1.256 4.792 10.857 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.609 6.585 11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.004 7.272 11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.082 5.193 14.621 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.150 5.335 13.221 1.00 0.00 H new ATOM 507 N TRP A 37 1.450 5.038 8.209 1.00 0.00 N ATOM 508 CA TRP A 37 1.098 5.535 6.892 1.00 0.00 C ATOM 509 C TRP A 37 -0.318 5.136 6.496 1.00 0.00 C ATOM 510 O TRP A 37 -1.107 5.998 6.148 1.00 0.00 O ATOM 511 CB TRP A 37 2.117 5.130 5.808 1.00 0.00 C ATOM 512 CG TRP A 37 2.489 3.679 5.776 1.00 0.00 C ATOM 513 CD1 TRP A 37 3.256 3.012 6.680 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.161 2.732 4.755 1.00 0.00 C ATOM 515 NE1 TRP A 37 3.404 1.702 6.301 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.742 1.506 5.121 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.421 2.800 3.571 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.612 0.358 4.349 1.00 0.00 C ATOM 519 CZ3 TRP A 37 1.297 1.659 2.802 1.00 0.00 C ATOM 520 CH2 TRP A 37 1.889 0.451 3.196 1.00 0.00 C ATOM 0 H TRP A 37 1.307 4.037 8.345 1.00 0.00 H new ATOM 0 HA TRP A 37 1.131 6.622 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.712 5.404 4.834 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.025 5.716 5.952 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.686 3.451 7.568 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.923 0.990 6.815 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.956 3.725 3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.067 -0.574 4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.734 1.698 1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.770 -0.424 2.574 1.00 0.00 H new ATOM 531 N ARG A 38 -0.661 3.853 6.582 1.00 0.00 N ATOM 532 CA ARG A 38 -1.968 3.398 6.097 1.00 0.00 C ATOM 533 C ARG A 38 -3.105 3.915 6.973 1.00 0.00 C ATOM 534 O ARG A 38 -4.177 4.237 6.474 1.00 0.00 O ATOM 535 CB ARG A 38 -2.037 1.871 5.962 1.00 0.00 C ATOM 536 CG ARG A 38 -1.919 1.104 7.272 1.00 0.00 C ATOM 537 CD ARG A 38 -3.288 0.748 7.834 1.00 0.00 C ATOM 538 NE ARG A 38 -3.201 0.182 9.179 1.00 0.00 N ATOM 539 CZ ARG A 38 -3.958 -0.826 9.617 1.00 0.00 C ATOM 540 NH1 ARG A 38 -4.817 -1.426 8.799 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -3.852 -1.237 10.874 1.00 0.00 N ATOM 0 H ARG A 38 -0.069 3.121 6.974 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.091 3.820 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.981 1.605 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.241 1.544 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.342 0.193 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.371 1.704 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.913 1.641 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.777 0.033 7.172 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.519 0.583 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.900 -1.117 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.393 -2.196 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.192 -0.783 11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.430 -2.007 11.209 1.00 0.00 H new ATOM 555 N SER A 39 -2.871 3.999 8.274 1.00 0.00 N ATOM 556 CA SER A 39 -3.870 4.538 9.185 1.00 0.00 C ATOM 557 C SER A 39 -4.042 6.034 8.937 1.00 0.00 C ATOM 558 O SER A 39 -5.142 6.590 9.042 1.00 0.00 O ATOM 559 CB SER A 39 -3.453 4.250 10.628 1.00 0.00 C ATOM 560 OG SER A 39 -2.037 4.177 10.739 1.00 0.00 O ATOM 0 H SER A 39 -2.003 3.703 8.721 1.00 0.00 H new ATOM 0 HA SER A 39 -4.833 4.058 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.834 5.032 11.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.897 3.311 10.959 1.00 0.00 H new ATOM 0 HG SER A 39 -1.752 3.242 10.675 1.00 0.00 H new ATOM 566 N ARG A 40 -2.946 6.674 8.569 1.00 0.00 N ATOM 567 CA ARG A 40 -2.957 8.058 8.199 1.00 0.00 C ATOM 568 C ARG A 40 -3.610 8.214 6.827 1.00 0.00 C ATOM 569 O ARG A 40 -4.262 9.220 6.540 1.00 0.00 O ATOM 570 CB ARG A 40 -1.521 8.548 8.179 1.00 0.00 C ATOM 571 CG ARG A 40 -0.792 8.375 9.503 1.00 0.00 C ATOM 572 CD ARG A 40 -1.255 9.387 10.535 1.00 0.00 C ATOM 573 NE ARG A 40 -0.789 10.735 10.225 1.00 0.00 N ATOM 574 CZ ARG A 40 -1.351 11.845 10.688 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.458 11.781 11.417 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 -0.811 13.023 10.397 1.00 0.00 N ATOM 0 H ARG A 40 -2.025 6.237 8.522 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.532 8.649 8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.975 8.012 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.511 9.603 7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.959 7.367 9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.281 8.482 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.344 9.382 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.890 9.094 11.519 1.00 0.00 H new ATOM 0 HE ARG A 40 0.021 10.830 9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.881 10.876 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.886 12.637 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.030 13.070 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.237 13.880 10.749 1.00 0.00 H new ATOM 590 N ILE A 41 -3.419 7.199 5.982 1.00 0.00 N ATOM 591 CA ILE A 41 -4.081 7.125 4.688 1.00 0.00 C ATOM 592 C ILE A 41 -5.589 7.085 4.890 1.00 0.00 C ATOM 593 O ILE A 41 -6.335 7.700 4.142 1.00 0.00 O ATOM 594 CB ILE A 41 -3.655 5.863 3.894 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.219 5.985 3.393 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.602 5.593 2.732 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.722 4.735 2.697 1.00 0.00 C ATOM 0 H ILE A 41 -2.803 6.410 6.179 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.789 8.007 4.118 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.708 5.016 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.151 6.828 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.565 6.208 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.275 4.702 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.611 5.437 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.598 6.446 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.695 4.887 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.759 3.894 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.354 4.523 1.835 1.00 0.00 H new ATOM 609 N SER A 42 -6.030 6.351 5.906 1.00 0.00 N ATOM 610 CA SER A 42 -7.448 6.304 6.258 1.00 0.00 C ATOM 611 C SER A 42 -7.996 7.713 6.500 1.00 0.00 C ATOM 612 O SER A 42 -9.117 8.033 6.096 1.00 0.00 O ATOM 613 CB SER A 42 -7.647 5.439 7.498 1.00 0.00 C ATOM 614 OG SER A 42 -7.080 4.156 7.308 1.00 0.00 O ATOM 0 H SER A 42 -5.429 5.781 6.500 1.00 0.00 H new ATOM 0 HA SER A 42 -7.997 5.865 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.188 5.921 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.711 5.344 7.714 1.00 0.00 H new ATOM 0 HG SER A 42 -6.110 4.240 7.196 1.00 0.00 H new ATOM 620 N GLY A 43 -7.198 8.553 7.153 1.00 0.00 N ATOM 621 CA GLY A 43 -7.563 9.954 7.308 1.00 0.00 C ATOM 622 C GLY A 43 -7.604 10.682 5.973 1.00 0.00 C ATOM 623 O GLY A 43 -8.463 11.538 5.734 1.00 0.00 O ATOM 0 H GLY A 43 -6.308 8.292 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.539 10.024 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.847 10.445 7.967 1.00 0.00 H new ATOM 627 N ARG A 44 -6.688 10.322 5.087 1.00 0.00 N ATOM 628 CA ARG A 44 -6.619 10.900 3.771 1.00 0.00 C ATOM 629 C ARG A 44 -7.812 10.449 2.938 1.00 0.00 C ATOM 630 O ARG A 44 -8.325 11.187 2.109 1.00 0.00 O ATOM 631 CB ARG A 44 -5.345 10.428 3.106 1.00 0.00 C ATOM 632 CG ARG A 44 -4.446 11.534 2.609 1.00 0.00 C ATOM 633 CD ARG A 44 -3.604 12.080 3.739 1.00 0.00 C ATOM 634 NE ARG A 44 -2.619 13.047 3.259 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.263 14.150 3.919 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.798 14.431 5.102 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.356 14.968 3.399 1.00 0.00 N ATOM 0 H ARG A 44 -5.973 9.618 5.270 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.631 11.987 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.787 9.815 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.607 9.785 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.800 11.157 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.048 12.333 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.250 12.554 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.093 11.259 4.242 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.174 12.866 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.487 13.801 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.520 15.277 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.933 14.753 2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.082 15.812 3.902 1.00 0.00 H new ATOM 651 N LEU A 45 -8.230 9.214 3.168 1.00 0.00 N ATOM 652 CA LEU A 45 -9.361 8.628 2.481 1.00 0.00 C ATOM 653 C LEU A 45 -10.632 9.347 2.902 1.00 0.00 C ATOM 654 O LEU A 45 -11.589 9.432 2.154 1.00 0.00 O ATOM 655 CB LEU A 45 -9.436 7.147 2.839 1.00 0.00 C ATOM 656 CG LEU A 45 -9.668 6.197 1.664 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.249 4.784 2.033 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.125 6.208 1.226 1.00 0.00 C ATOM 0 H LEU A 45 -7.788 8.589 3.842 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.247 8.730 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.508 6.864 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.240 7.006 3.562 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.057 6.544 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.421 4.121 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.190 4.774 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.835 4.442 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.258 5.523 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.757 5.894 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.405 7.216 0.918 1.00 0.00 H new ATOM 670 N ASN A 46 -10.592 9.897 4.103 1.00 0.00 N ATOM 671 CA ASN A 46 -11.712 10.627 4.685 1.00 0.00 C ATOM 672 C ASN A 46 -11.900 11.945 3.957 1.00 0.00 C ATOM 673 O ASN A 46 -13.022 12.430 3.797 1.00 0.00 O ATOM 674 CB ASN A 46 -11.476 10.872 6.184 1.00 0.00 C ATOM 675 CG ASN A 46 -12.619 11.617 6.853 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.616 11.018 7.253 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.469 12.926 7.005 1.00 0.00 N ATOM 0 H ASN A 46 -9.774 9.851 4.710 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.617 10.029 4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.332 9.914 6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.555 11.440 6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.196 13.472 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.627 13.386 6.659 1.00 0.00 H new ATOM 684 N ARG A 47 -10.788 12.516 3.509 1.00 0.00 N ATOM 685 CA ARG A 47 -10.808 13.701 2.685 1.00 0.00 C ATOM 686 C ARG A 47 -11.568 13.449 1.378 1.00 0.00 C ATOM 687 O ARG A 47 -11.983 14.392 0.698 1.00 0.00 O ATOM 688 CB ARG A 47 -9.363 14.139 2.440 1.00 0.00 C ATOM 689 CG ARG A 47 -8.803 13.840 1.052 1.00 0.00 C ATOM 690 CD ARG A 47 -7.326 14.211 0.978 1.00 0.00 C ATOM 691 NE ARG A 47 -6.665 13.693 -0.220 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.358 13.835 -0.474 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.588 14.547 0.346 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.825 13.274 -1.558 1.00 0.00 N ATOM 0 H ARG A 47 -9.852 12.165 3.711 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.340 14.505 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.294 15.213 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.726 13.654 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.930 12.782 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.362 14.398 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.228 15.296 0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.816 13.828 1.862 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.234 13.193 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.993 14.987 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.593 14.652 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.412 12.736 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.829 13.382 -1.751 1.00 0.00 H new ATOM 708 N PHE A 48 -11.751 12.176 1.028 1.00 0.00 N ATOM 709 CA PHE A 48 -12.557 11.833 -0.132 1.00 0.00 C ATOM 710 C PHE A 48 -13.876 11.183 0.276 1.00 0.00 C ATOM 711 O PHE A 48 -14.954 11.698 -0.025 1.00 0.00 O ATOM 712 CB PHE A 48 -11.805 10.886 -1.070 1.00 0.00 C ATOM 713 CG PHE A 48 -10.735 11.545 -1.898 1.00 0.00 C ATOM 714 CD1 PHE A 48 -11.071 12.295 -3.015 1.00 0.00 C ATOM 715 CD2 PHE A 48 -9.396 11.399 -1.572 1.00 0.00 C ATOM 716 CE1 PHE A 48 -10.092 12.889 -3.788 1.00 0.00 C ATOM 717 CE2 PHE A 48 -8.413 11.987 -2.346 1.00 0.00 C ATOM 718 CZ PHE A 48 -8.761 12.735 -3.453 1.00 0.00 C ATOM 0 H PHE A 48 -11.356 11.379 1.526 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.767 12.767 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.350 10.093 -0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.523 10.412 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.110 12.416 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.117 10.820 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.367 13.473 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.373 11.861 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.994 13.199 -4.056 1.00 0.00 H new ATOM 728 N LYS A 49 -13.769 10.075 0.994 1.00 0.00 N ATOM 729 CA LYS A 49 -14.912 9.290 1.438 1.00 0.00 C ATOM 730 C LYS A 49 -14.463 8.272 2.474 1.00 0.00 C ATOM 731 O LYS A 49 -13.917 7.233 2.115 1.00 0.00 O ATOM 732 CB LYS A 49 -15.530 8.503 0.273 1.00 0.00 C ATOM 733 CG LYS A 49 -16.694 9.176 -0.430 1.00 0.00 C ATOM 734 CD LYS A 49 -17.364 8.207 -1.398 1.00 0.00 C ATOM 735 CE LYS A 49 -18.568 8.832 -2.078 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.311 7.852 -2.921 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.872 9.690 1.289 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.644 9.984 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.750 8.305 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.866 7.537 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.419 9.524 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.342 10.054 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.644 7.891 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.675 7.312 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.239 9.240 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.240 9.667 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.125 8.323 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.680 7.481 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.647 7.068 -2.327 1.00 0.00 H new ATOM 750 N ARG A 50 -14.691 8.531 3.750 1.00 0.00 N ATOM 751 CA ARG A 50 -14.441 7.499 4.734 1.00 0.00 C ATOM 752 C ARG A 50 -15.756 7.039 5.317 1.00 0.00 C ATOM 753 O ARG A 50 -16.355 7.699 6.170 1.00 0.00 O ATOM 754 CB ARG A 50 -13.489 7.955 5.834 1.00 0.00 C ATOM 755 CG ARG A 50 -12.874 6.779 6.579 1.00 0.00 C ATOM 756 CD ARG A 50 -11.907 7.209 7.666 1.00 0.00 C ATOM 757 NE ARG A 50 -12.593 7.730 8.847 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.143 7.583 10.096 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.989 6.966 10.323 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.853 8.047 11.114 1.00 0.00 N ATOM 0 H ARG A 50 -15.037 9.417 4.118 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.948 6.667 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.696 8.563 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.026 8.590 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.670 6.181 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.352 6.138 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.287 6.360 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.237 7.973 7.271 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.468 8.236 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.443 6.602 9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.649 6.856 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.743 8.516 10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.510 7.935 12.068 1.00 0.00 H new ATOM 774 N TYR A 51 -16.184 5.896 4.841 1.00 0.00 N ATOM 775 CA TYR A 51 -17.478 5.354 5.164 1.00 0.00 C ATOM 776 C TYR A 51 -17.338 4.333 6.288 1.00 0.00 C ATOM 777 O TYR A 51 -16.648 3.331 6.115 1.00 0.00 O ATOM 778 CB TYR A 51 -18.010 4.690 3.897 1.00 0.00 C ATOM 779 CG TYR A 51 -19.511 4.611 3.760 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.369 4.959 4.794 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.065 4.173 2.567 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.739 4.876 4.635 1.00 0.00 C ATOM 783 CE2 TYR A 51 -21.426 4.086 2.401 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.262 4.434 3.436 1.00 0.00 C ATOM 785 OH TYR A 51 -23.623 4.338 3.267 1.00 0.00 O ATOM 0 H TYR A 51 -15.636 5.310 4.211 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.163 6.131 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -17.616 5.231 3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -17.609 3.678 3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.961 5.299 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -19.414 3.895 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.397 5.155 5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -21.837 3.746 1.462 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.070 5.013 3.819 1.00 0.00 H new ATOM 795 N PRO A 52 -17.954 4.582 7.458 1.00 0.00 N ATOM 796 CA PRO A 52 -17.905 3.650 8.595 1.00 0.00 C ATOM 797 C PRO A 52 -18.345 2.248 8.192 1.00 0.00 C ATOM 798 O PRO A 52 -19.401 2.075 7.584 1.00 0.00 O ATOM 799 CB PRO A 52 -18.899 4.254 9.592 1.00 0.00 C ATOM 800 CG PRO A 52 -18.941 5.702 9.256 1.00 0.00 C ATOM 801 CD PRO A 52 -18.739 5.790 7.768 1.00 0.00 C ATOM 0 HA PRO A 52 -16.898 3.538 8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.884 3.797 9.495 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.574 4.096 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.895 6.142 9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.162 6.248 9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.689 5.800 7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.206 6.699 7.488 1.00 0.00 H new ATOM 809 N LYS A 53 -17.543 1.246 8.565 1.00 0.00 N ATOM 810 CA LYS A 53 -17.760 -0.132 8.122 1.00 0.00 C ATOM 811 C LYS A 53 -19.101 -0.667 8.598 1.00 0.00 C ATOM 812 O LYS A 53 -19.653 -1.569 7.984 1.00 0.00 O ATOM 813 CB LYS A 53 -16.637 -1.055 8.611 1.00 0.00 C ATOM 814 CG LYS A 53 -15.667 -1.514 7.519 1.00 0.00 C ATOM 815 CD LYS A 53 -14.593 -0.476 7.218 1.00 0.00 C ATOM 816 CE LYS A 53 -15.136 0.702 6.428 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.447 1.966 6.801 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.735 1.366 9.175 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.758 -0.118 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.072 -0.538 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.084 -1.935 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.191 -2.445 7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.226 -1.729 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.165 -0.117 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.784 -0.945 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.009 0.517 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.206 0.802 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.027 2.777 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.308 1.995 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.523 2.011 6.326 1.00 0.00 H new ATOM 831 N ASP A 54 -19.618 -0.115 9.688 1.00 0.00 N ATOM 832 CA ASP A 54 -20.933 -0.503 10.191 1.00 0.00 C ATOM 833 C ASP A 54 -22.001 -0.312 9.119 1.00 0.00 C ATOM 834 O ASP A 54 -22.855 -1.178 8.910 1.00 0.00 O ATOM 835 CB ASP A 54 -21.298 0.307 11.434 1.00 0.00 C ATOM 836 CG ASP A 54 -22.700 0.007 11.924 1.00 0.00 C ATOM 837 OD1 ASP A 54 -22.918 -1.089 12.484 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -23.592 0.862 11.743 1.00 0.00 O ATOM 0 H ASP A 54 -19.149 0.602 10.241 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.889 -1.559 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.584 0.091 12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.213 1.370 11.210 1.00 0.00 H new ATOM 843 N ALA A 55 -21.931 0.812 8.418 1.00 0.00 N ATOM 844 CA ALA A 55 -22.871 1.104 7.348 1.00 0.00 C ATOM 845 C ALA A 55 -22.640 0.174 6.165 1.00 0.00 C ATOM 846 O ALA A 55 -23.572 -0.176 5.438 1.00 0.00 O ATOM 847 CB ALA A 55 -22.752 2.557 6.923 1.00 0.00 C ATOM 0 H ALA A 55 -21.231 1.537 8.573 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.882 0.937 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.462 2.761 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.969 3.204 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.739 2.751 6.569 1.00 0.00 H new ATOM 853 N LEU A 56 -21.392 -0.231 5.987 1.00 0.00 N ATOM 854 CA LEU A 56 -21.033 -1.163 4.929 1.00 0.00 C ATOM 855 C LEU A 56 -21.485 -2.574 5.284 1.00 0.00 C ATOM 856 O LEU A 56 -21.857 -3.342 4.406 1.00 0.00 O ATOM 857 CB LEU A 56 -19.516 -1.145 4.659 1.00 0.00 C ATOM 858 CG LEU A 56 -18.982 0.071 3.892 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.763 0.293 2.610 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.017 1.311 4.758 1.00 0.00 C ATOM 0 H LEU A 56 -20.608 0.073 6.564 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.544 -0.846 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.997 -1.203 5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.256 -2.044 4.100 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.945 -0.132 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.363 1.161 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.675 -0.587 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.813 0.465 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.634 2.160 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.044 1.512 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.399 1.155 5.642 1.00 0.00 H new ATOM 872 N ARG A 57 -21.469 -2.903 6.575 1.00 0.00 N ATOM 873 CA ARG A 57 -21.886 -4.223 7.042 1.00 0.00 C ATOM 874 C ARG A 57 -23.347 -4.496 6.714 1.00 0.00 C ATOM 875 O ARG A 57 -23.782 -5.651 6.684 1.00 0.00 O ATOM 876 CB ARG A 57 -21.654 -4.376 8.545 1.00 0.00 C ATOM 877 CG ARG A 57 -20.189 -4.380 8.935 1.00 0.00 C ATOM 878 CD ARG A 57 -19.993 -4.749 10.396 1.00 0.00 C ATOM 879 NE ARG A 57 -20.645 -3.802 11.298 1.00 0.00 N ATOM 880 CZ ARG A 57 -20.090 -3.329 12.413 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.868 -3.700 12.766 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -20.748 -2.467 13.168 1.00 0.00 N ATOM 0 H ARG A 57 -21.171 -2.271 7.318 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.273 -4.955 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -22.158 -3.563 9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -22.114 -5.305 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.648 -5.087 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.761 -3.395 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.390 -5.749 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.927 -4.786 10.620 1.00 0.00 H new ATOM 0 HE ARG A 57 -21.584 -3.483 11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.345 -4.353 12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.451 -3.333 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.683 -2.162 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.321 -2.106 14.021 1.00 0.00 H new ATOM 896 N LEU A 58 -24.101 -3.431 6.472 1.00 0.00 N ATOM 897 CA LEU A 58 -25.498 -3.554 6.083 1.00 0.00 C ATOM 898 C LEU A 58 -25.677 -3.217 4.604 1.00 0.00 C ATOM 899 O LEU A 58 -26.795 -2.998 4.140 1.00 0.00 O ATOM 900 CB LEU A 58 -26.396 -2.651 6.941 1.00 0.00 C ATOM 901 CG LEU A 58 -26.710 -3.169 8.352 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.465 -3.201 9.227 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.782 -2.310 8.998 1.00 0.00 C ATOM 0 H LEU A 58 -23.766 -2.470 6.539 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.797 -4.589 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.919 -1.675 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.337 -2.498 6.412 1.00 0.00 H new ATOM 0 HG LEU A 58 -27.076 -4.191 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -25.726 -3.573 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.721 -3.858 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -25.055 -2.195 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.996 -2.687 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.431 -1.280 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.689 -2.345 8.395 1.00 0.00 H new ATOM 915 N LYS A 59 -24.571 -3.179 3.865 1.00 0.00 N ATOM 916 CA LYS A 59 -24.623 -2.883 2.440 1.00 0.00 C ATOM 917 C LYS A 59 -23.474 -3.561 1.689 1.00 0.00 C ATOM 918 O LYS A 59 -23.628 -4.664 1.173 1.00 0.00 O ATOM 919 CB LYS A 59 -24.623 -1.361 2.200 1.00 0.00 C ATOM 920 CG LYS A 59 -24.624 -0.969 0.729 1.00 0.00 C ATOM 921 CD LYS A 59 -24.962 0.502 0.525 1.00 0.00 C ATOM 922 CE LYS A 59 -23.970 1.424 1.219 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.292 2.856 0.973 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.633 -3.349 4.229 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.555 -3.288 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.499 -0.927 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.746 -0.927 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.645 -1.178 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.346 -1.584 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.976 0.725 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.964 0.698 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.978 1.227 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.962 1.210 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.953 3.430 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.827 3.171 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.321 2.969 0.877 1.00 0.00 H new ATOM 937 N ARG A 60 -22.309 -2.928 1.657 1.00 0.00 N ATOM 938 CA ARG A 60 -21.203 -3.436 0.861 1.00 0.00 C ATOM 939 C ARG A 60 -19.978 -3.702 1.719 1.00 0.00 C ATOM 940 O ARG A 60 -19.108 -2.847 1.857 1.00 0.00 O ATOM 941 CB ARG A 60 -20.854 -2.458 -0.265 1.00 0.00 C ATOM 942 CG ARG A 60 -21.982 -2.270 -1.265 1.00 0.00 C ATOM 943 CD ARG A 60 -22.326 -3.576 -1.960 1.00 0.00 C ATOM 944 NE ARG A 60 -23.609 -3.516 -2.660 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.644 -4.316 -2.385 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.561 -5.200 -1.399 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.765 -4.218 -3.083 1.00 0.00 N ATOM 0 H ARG A 60 -22.107 -2.069 2.169 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.522 -4.382 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.597 -1.492 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.969 -2.818 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.864 -1.884 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.693 -1.526 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.538 -3.824 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.354 -4.379 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.720 -2.824 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.705 -5.271 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.353 -5.809 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.840 -3.531 -3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.553 -4.830 -2.871 1.00 0.00 H new ATOM 961 N GLN A 61 -19.917 -4.888 2.301 1.00 0.00 N ATOM 962 CA GLN A 61 -18.728 -5.311 3.012 1.00 0.00 C ATOM 963 C GLN A 61 -18.045 -6.443 2.274 1.00 0.00 C ATOM 964 O GLN A 61 -18.603 -7.522 2.112 1.00 0.00 O ATOM 965 CB GLN A 61 -19.011 -5.719 4.466 1.00 0.00 C ATOM 966 CG GLN A 61 -20.464 -6.022 4.809 1.00 0.00 C ATOM 967 CD GLN A 61 -21.002 -7.312 4.221 1.00 0.00 C ATOM 968 OE1 GLN A 61 -20.797 -8.394 4.772 1.00 0.00 O ATOM 969 NE2 GLN A 61 -21.780 -7.197 3.157 1.00 0.00 N ATOM 0 H GLN A 61 -20.675 -5.571 2.294 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.064 -4.447 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.413 -6.601 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.664 -4.919 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.565 -6.064 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.084 -5.195 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.926 -6.283 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.234 -8.022 2.766 1.00 0.00 H new ATOM 978 N GLY A 62 -16.845 -6.161 1.805 1.00 0.00 N ATOM 979 CA GLY A 62 -16.030 -7.168 1.164 1.00 0.00 C ATOM 980 C GLY A 62 -14.557 -6.945 1.433 1.00 0.00 C ATOM 981 O GLY A 62 -14.091 -5.808 1.433 1.00 0.00 O ATOM 0 H GLY A 62 -16.414 -5.238 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.321 -8.155 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.211 -7.154 0.089 1.00 0.00 H new ATOM 985 N VAL A 63 -13.824 -8.021 1.664 1.00 0.00 N ATOM 986 CA VAL A 63 -12.398 -7.926 1.920 1.00 0.00 C ATOM 987 C VAL A 63 -11.620 -8.347 0.682 1.00 0.00 C ATOM 988 O VAL A 63 -11.983 -9.306 0.001 1.00 0.00 O ATOM 989 CB VAL A 63 -11.972 -8.787 3.134 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.328 -10.251 2.926 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.483 -8.630 3.411 1.00 0.00 C ATOM 0 H VAL A 63 -14.194 -8.971 1.679 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.172 -6.887 2.158 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.524 -8.430 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.016 -10.829 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.406 -10.348 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.818 -10.627 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.206 -9.244 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.915 -8.949 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.261 -7.585 3.626 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.569 -7.610 0.379 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.811 -7.868 -0.820 1.00 0.00 C ATOM 1003 C GLY A 64 -8.506 -7.116 -0.826 1.00 0.00 C ATOM 1004 O GLY A 64 -8.284 -6.246 0.016 1.00 0.00 O ATOM 0 H GLY A 64 -10.226 -6.834 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.615 -8.937 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.400 -7.582 -1.692 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.637 -7.441 -1.763 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.371 -6.743 -1.868 1.00 0.00 C ATOM 1010 C GLN A 65 -6.477 -5.686 -2.956 1.00 0.00 C ATOM 1011 O GLN A 65 -7.127 -5.889 -3.973 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.236 -7.717 -2.183 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.976 -8.730 -1.078 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.798 -9.641 -1.379 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.958 -10.701 -1.988 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.606 -9.242 -0.953 1.00 0.00 N ATOM 0 H GLN A 65 -7.782 -8.176 -2.456 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.146 -6.267 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.471 -8.250 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.323 -7.150 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.791 -8.201 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.870 -9.336 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.513 -8.358 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.783 -9.819 -1.126 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.882 -4.544 -2.718 1.00 0.00 N ATOM 1026 CA VAL A 66 -6.006 -3.418 -3.622 1.00 0.00 C ATOM 1027 C VAL A 66 -4.627 -2.846 -3.929 1.00 0.00 C ATOM 1028 O VAL A 66 -3.939 -2.352 -3.038 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.939 -2.356 -2.986 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.936 -1.043 -3.736 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.359 -2.893 -2.911 1.00 0.00 C ATOM 0 H VAL A 66 -5.301 -4.365 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.446 -3.739 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.554 -2.158 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.608 -0.341 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.926 -0.633 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.272 -1.208 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.009 -2.141 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.713 -3.127 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.375 -3.796 -2.301 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.204 -2.947 -5.185 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.862 -2.529 -5.549 1.00 0.00 C ATOM 1043 C ARG A 67 -2.930 -1.294 -6.429 1.00 0.00 C ATOM 1044 O ARG A 67 -3.813 -1.178 -7.277 1.00 0.00 O ATOM 1045 CB ARG A 67 -2.110 -3.650 -6.276 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.657 -3.298 -6.550 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.047 -4.164 -7.632 1.00 0.00 C ATOM 1048 NE ARG A 67 0.021 -5.573 -7.257 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.725 -6.477 -7.936 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.487 -6.094 -8.956 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 0.697 -7.753 -7.576 1.00 0.00 N ATOM 0 H ARG A 67 -4.765 -3.310 -5.956 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.317 -2.295 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.153 -4.559 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.612 -3.866 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.589 -2.251 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.080 -3.408 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.634 -4.064 -8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.957 -3.804 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.497 -5.881 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.532 -5.109 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.027 -6.785 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.135 -8.045 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.238 -8.442 -8.099 1.00 0.00 H new ATOM 1065 N PHE A 68 -2.003 -0.375 -6.221 1.00 0.00 N ATOM 1066 CA PHE A 68 -2.001 0.878 -6.951 1.00 0.00 C ATOM 1067 C PHE A 68 -0.626 1.533 -6.937 1.00 0.00 C ATOM 1068 O PHE A 68 0.200 1.263 -6.063 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.050 1.842 -6.370 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.272 1.715 -4.885 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.214 1.787 -3.991 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.549 1.523 -4.385 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.428 1.668 -2.632 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.768 1.405 -3.028 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.708 1.478 -2.150 1.00 0.00 C ATOM 0 H PHE A 68 -1.241 -0.475 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.256 0.654 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.745 2.865 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.998 1.675 -6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.211 1.938 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.385 1.465 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.595 1.723 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.770 1.255 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.878 1.387 -1.087 1.00 0.00 H new ATOM 1085 N THR A 69 -0.384 2.359 -7.940 1.00 0.00 N ATOM 1086 CA THR A 69 0.787 3.218 -7.974 1.00 0.00 C ATOM 1087 C THR A 69 0.377 4.600 -7.506 1.00 0.00 C ATOM 1088 O THR A 69 -0.554 5.191 -8.051 1.00 0.00 O ATOM 1089 CB THR A 69 1.377 3.295 -9.389 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.651 1.973 -9.864 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.654 4.116 -9.401 1.00 0.00 C ATOM 0 H THR A 69 -0.993 2.453 -8.753 1.00 0.00 H new ATOM 0 HA THR A 69 1.555 2.807 -7.320 1.00 0.00 H new ATOM 0 HB THR A 69 0.651 3.780 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.026 2.021 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.052 4.155 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.439 5.128 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.389 3.656 -8.740 1.00 0.00 H new ATOM 1099 N LEU A 70 1.046 5.096 -6.486 1.00 0.00 N ATOM 1100 CA LEU A 70 0.610 6.311 -5.820 1.00 0.00 C ATOM 1101 C LEU A 70 1.586 7.457 -6.016 1.00 0.00 C ATOM 1102 O LEU A 70 2.791 7.250 -6.155 1.00 0.00 O ATOM 1103 CB LEU A 70 0.430 6.033 -4.333 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.558 4.918 -4.014 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.543 4.603 -2.529 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.950 5.314 -4.475 1.00 0.00 C ATOM 0 H LEU A 70 1.893 4.679 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.337 6.614 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.399 5.776 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.097 6.948 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.261 4.016 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.255 3.804 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.457 4.284 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.821 5.494 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.652 4.512 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.258 6.225 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.941 5.489 -5.551 1.00 0.00 H new ATOM 1118 N ASP A 71 1.042 8.665 -6.047 1.00 0.00 N ATOM 1119 CA ASP A 71 1.844 9.874 -6.138 1.00 0.00 C ATOM 1120 C ASP A 71 2.132 10.404 -4.738 1.00 0.00 C ATOM 1121 O ASP A 71 1.495 9.969 -3.780 1.00 0.00 O ATOM 1122 CB ASP A 71 1.113 10.935 -6.969 1.00 0.00 C ATOM 1123 CG ASP A 71 1.944 12.182 -7.201 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.917 12.118 -7.976 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 1.626 13.233 -6.604 1.00 0.00 O ATOM 0 H ASP A 71 0.037 8.833 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 71 2.787 9.640 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.835 10.506 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.188 11.211 -6.463 1.00 0.00 H new ATOM 1130 N ARG A 72 3.066 11.335 -4.620 1.00 0.00 N ATOM 1131 CA ARG A 72 3.502 11.834 -3.316 1.00 0.00 C ATOM 1132 C ARG A 72 2.323 12.331 -2.463 1.00 0.00 C ATOM 1133 O ARG A 72 2.265 12.075 -1.259 1.00 0.00 O ATOM 1134 CB ARG A 72 4.542 12.949 -3.505 1.00 0.00 C ATOM 1135 CG ARG A 72 4.003 14.187 -4.200 1.00 0.00 C ATOM 1136 CD ARG A 72 5.120 15.041 -4.774 1.00 0.00 C ATOM 1137 NE ARG A 72 6.083 15.477 -3.765 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.320 15.878 -4.057 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.727 15.908 -5.323 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 8.148 16.245 -3.087 1.00 0.00 N ATOM 0 H ARG A 72 3.541 11.765 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 72 3.957 11.003 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.934 13.235 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.379 12.557 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.325 13.889 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.421 14.777 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.642 14.475 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.688 15.917 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 72 5.794 15.474 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.093 15.624 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.674 16.215 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.838 16.221 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.094 16.552 -3.313 1.00 0.00 H new ATOM 1154 N GLN A 73 1.366 13.006 -3.097 1.00 0.00 N ATOM 1155 CA GLN A 73 0.230 13.579 -2.378 1.00 0.00 C ATOM 1156 C GLN A 73 -0.926 12.589 -2.297 1.00 0.00 C ATOM 1157 O GLN A 73 -2.034 12.936 -1.872 1.00 0.00 O ATOM 1158 CB GLN A 73 -0.247 14.858 -3.069 1.00 0.00 C ATOM 1159 CG GLN A 73 -0.791 14.626 -4.470 1.00 0.00 C ATOM 1160 CD GLN A 73 -1.417 15.872 -5.063 1.00 0.00 C ATOM 1161 OE1 GLN A 73 -0.744 16.670 -5.713 1.00 0.00 O ATOM 1162 NE2 GLN A 73 -2.708 16.053 -4.834 1.00 0.00 N ATOM 0 H GLN A 73 1.354 13.169 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 73 0.563 13.813 -1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.022 15.323 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.582 15.563 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.017 14.285 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.534 13.829 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.231 15.367 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.180 16.879 -5.202 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.662 11.357 -2.700 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.703 10.361 -2.751 1.00 0.00 C ATOM 1173 C GLY A 74 -2.597 10.538 -3.948 1.00 0.00 C ATOM 1174 O GLY A 74 -3.823 10.546 -3.831 1.00 0.00 O ATOM 0 H GLY A 74 0.259 11.031 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.253 9.368 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.301 10.415 -1.841 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.983 10.722 -5.093 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.713 10.780 -6.338 1.00 0.00 C ATOM 1180 C HIS A 75 -2.597 9.437 -7.033 1.00 0.00 C ATOM 1181 O HIS A 75 -1.554 9.125 -7.600 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.161 11.909 -7.222 1.00 0.00 C ATOM 1183 CG HIS A 75 -2.790 11.993 -8.580 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -3.986 12.627 -8.817 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.371 11.524 -9.778 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.278 12.544 -10.101 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.315 11.879 -10.708 1.00 0.00 N ATOM 0 H HIS A 75 -0.974 10.835 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.765 10.993 -6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.305 12.860 -6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.086 11.770 -7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.462 10.972 -9.967 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.158 12.952 -10.575 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.278 11.664 -11.704 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.644 8.622 -6.922 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.689 7.332 -7.599 1.00 0.00 C ATOM 1198 C VAL A 76 -3.275 7.456 -9.071 1.00 0.00 C ATOM 1199 O VAL A 76 -3.922 8.133 -9.872 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.095 6.689 -7.481 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.179 7.597 -8.050 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.122 5.326 -8.154 1.00 0.00 C ATOM 0 H VAL A 76 -4.473 8.835 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.971 6.679 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.306 6.554 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.150 7.112 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.186 8.541 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.977 7.789 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.118 4.893 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.873 5.436 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.394 4.670 -7.676 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.160 6.824 -9.399 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.607 6.863 -10.742 1.00 0.00 C ATOM 1214 C LEU A 77 -2.004 5.609 -11.504 1.00 0.00 C ATOM 1215 O LEU A 77 -2.251 5.643 -12.706 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.080 6.962 -10.668 1.00 0.00 C ATOM 1217 CG LEU A 77 0.452 8.139 -9.850 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.882 7.878 -9.409 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.373 9.426 -10.655 1.00 0.00 C ATOM 0 H LEU A 77 -1.613 6.269 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.000 7.735 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.309 6.037 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.314 7.036 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.170 8.248 -8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.244 8.726 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.915 6.978 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.514 7.743 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.756 10.253 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.971 9.326 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.664 9.623 -10.925 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.071 4.501 -10.786 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.420 3.223 -11.380 1.00 0.00 C ATOM 1233 C ALA A 78 -3.403 2.487 -10.492 1.00 0.00 C ATOM 1234 O ALA A 78 -3.309 2.562 -9.273 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.177 2.375 -11.584 1.00 0.00 C ATOM 0 H ALA A 78 -1.887 4.462 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.882 3.408 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.457 1.421 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.486 2.896 -12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.695 2.199 -10.622 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.336 1.778 -11.104 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.302 0.989 -10.363 1.00 0.00 C ATOM 1243 C VAL A 79 -5.171 -0.480 -10.734 1.00 0.00 C ATOM 1244 O VAL A 79 -5.126 -0.836 -11.913 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.754 1.460 -10.607 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -7.009 2.795 -9.930 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.054 1.567 -12.095 1.00 0.00 C ATOM 0 H VAL A 79 -4.444 1.733 -12.117 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.085 1.125 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.419 0.713 -10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.037 3.106 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.848 2.695 -8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.325 3.543 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.082 1.900 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.374 2.285 -12.553 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.921 0.592 -12.564 1.00 0.00 H new ATOM 1257 N THR A 80 -5.069 -1.326 -9.733 1.00 0.00 N ATOM 1258 CA THR A 80 -4.955 -2.747 -9.958 1.00 0.00 C ATOM 1259 C THR A 80 -5.942 -3.516 -9.089 1.00 0.00 C ATOM 1260 O THR A 80 -5.954 -3.385 -7.863 1.00 0.00 O ATOM 1261 CB THR A 80 -3.518 -3.240 -9.688 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.611 -2.625 -10.614 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.422 -4.755 -9.803 1.00 0.00 C ATOM 0 H THR A 80 -5.063 -1.051 -8.751 1.00 0.00 H new ATOM 0 HA THR A 80 -5.193 -2.933 -11.005 1.00 0.00 H new ATOM 0 HB THR A 80 -3.250 -2.959 -8.670 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.700 -2.940 -10.438 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.397 -5.071 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.089 -5.218 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.711 -5.063 -10.808 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.788 -4.288 -9.743 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.725 -5.155 -9.059 1.00 0.00 C ATOM 1273 C LEU A 81 -7.014 -6.406 -8.585 1.00 0.00 C ATOM 1274 O LEU A 81 -6.509 -7.200 -9.380 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.892 -5.552 -9.955 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.886 -6.500 -9.286 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -10.688 -5.768 -8.217 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.806 -7.140 -10.318 1.00 0.00 C ATOM 0 H LEU A 81 -6.845 -4.331 -10.761 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.123 -4.601 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.419 -4.651 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.502 -6.026 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.324 -7.298 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.390 -6.460 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.010 -5.375 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.238 -4.945 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.504 -7.810 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.362 -6.362 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.211 -7.706 -11.035 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.962 -6.557 -7.283 1.00 0.00 N ATOM 1291 CA VAL A 82 -6.274 -7.671 -6.658 1.00 0.00 C ATOM 1292 C VAL A 82 -7.262 -8.448 -5.797 1.00 0.00 C ATOM 1293 O VAL A 82 -7.084 -9.631 -5.509 1.00 0.00 O ATOM 1294 CB VAL A 82 -5.147 -7.128 -5.772 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -3.970 -8.080 -5.693 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.704 -5.773 -6.277 1.00 0.00 C ATOM 0 H VAL A 82 -7.395 -5.912 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.858 -8.328 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.540 -7.026 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.198 -7.651 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.299 -9.032 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.566 -8.242 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.903 -5.393 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.343 -5.867 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.546 -5.082 -6.251 1.00 0.00 H new ATOM 1306 N SER A 83 -8.290 -7.724 -5.376 1.00 0.00 N ATOM 1307 CA SER A 83 -9.389 -8.250 -4.582 1.00 0.00 C ATOM 1308 C SER A 83 -9.940 -9.532 -5.197 1.00 0.00 C ATOM 1309 O SER A 83 -10.418 -9.540 -6.336 1.00 0.00 O ATOM 1310 CB SER A 83 -10.478 -7.180 -4.475 1.00 0.00 C ATOM 1311 OG SER A 83 -11.389 -7.471 -3.438 1.00 0.00 O ATOM 0 H SER A 83 -8.384 -6.730 -5.583 1.00 0.00 H new ATOM 0 HA SER A 83 -9.029 -8.500 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.018 -6.208 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.014 -7.109 -5.422 1.00 0.00 H new ATOM 0 HG SER A 83 -11.623 -6.644 -2.966 1.00 0.00 H new ATOM 1317 N SER A 84 -9.869 -10.610 -4.432 1.00 0.00 N ATOM 1318 CA SER A 84 -10.151 -11.935 -4.951 1.00 0.00 C ATOM 1319 C SER A 84 -10.846 -12.807 -3.907 1.00 0.00 C ATOM 1320 O SER A 84 -10.504 -13.976 -3.732 1.00 0.00 O ATOM 1321 CB SER A 84 -8.836 -12.576 -5.372 1.00 0.00 C ATOM 1322 OG SER A 84 -8.231 -11.857 -6.436 1.00 0.00 O ATOM 0 H SER A 84 -9.617 -10.590 -3.444 1.00 0.00 H new ATOM 0 HA SER A 84 -10.824 -11.847 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.156 -12.611 -4.520 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.013 -13.606 -5.680 1.00 0.00 H new ATOM 0 HG SER A 84 -7.734 -11.094 -6.074 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.813 -12.238 -3.209 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.571 -12.990 -2.221 1.00 0.00 C ATOM 1330 C ALA A 85 -14.017 -13.134 -2.663 1.00 0.00 C ATOM 1331 O ALA A 85 -14.887 -13.510 -1.878 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.490 -12.319 -0.858 1.00 0.00 C ATOM 0 H ALA A 85 -12.092 -11.262 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.135 -13.985 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.063 -12.897 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.449 -12.268 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.900 -11.311 -0.924 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.265 -12.834 -3.931 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.608 -12.909 -4.460 1.00 0.00 C ATOM 1340 C GLY A 86 -16.414 -11.679 -4.118 1.00 0.00 C ATOM 1341 O GLY A 86 -17.423 -11.766 -3.424 1.00 0.00 O ATOM 0 H GLY A 86 -13.556 -12.539 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.566 -13.027 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.107 -13.793 -4.062 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.961 -10.523 -4.582 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.664 -9.276 -4.291 1.00 0.00 C ATOM 1347 C LEU A 87 -17.311 -8.715 -5.563 1.00 0.00 C ATOM 1348 O LEU A 87 -16.738 -7.849 -6.225 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.717 -8.216 -3.695 1.00 0.00 C ATOM 1350 CG LEU A 87 -14.831 -8.644 -2.509 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.618 -9.440 -1.491 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.618 -9.430 -2.974 1.00 0.00 C ATOM 0 H LEU A 87 -15.123 -10.419 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.435 -9.505 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.064 -7.861 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.321 -7.367 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.478 -7.731 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.963 -9.726 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.438 -8.832 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.021 -10.336 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.016 -9.715 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.945 -10.327 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.020 -8.813 -3.645 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.518 -9.187 -5.917 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.204 -8.766 -7.141 1.00 0.00 C ATOM 1366 C PRO A 88 -19.857 -7.391 -6.992 1.00 0.00 C ATOM 1367 O PRO A 88 -19.343 -6.390 -7.494 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.264 -9.859 -7.363 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.043 -10.875 -6.283 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.316 -10.165 -5.178 1.00 0.00 C ATOM 0 HA PRO A 88 -18.516 -8.661 -7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.270 -9.444 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.159 -10.310 -8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.992 -11.278 -5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.459 -11.717 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.003 -9.687 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.693 -10.845 -4.597 1.00 0.00 H new ATOM 1378 N SER A 89 -20.975 -7.342 -6.277 1.00 0.00 N ATOM 1379 CA SER A 89 -21.668 -6.086 -6.011 1.00 0.00 C ATOM 1380 C SER A 89 -20.850 -5.215 -5.062 1.00 0.00 C ATOM 1381 O SER A 89 -21.048 -4.005 -4.969 1.00 0.00 O ATOM 1382 CB SER A 89 -23.041 -6.369 -5.402 1.00 0.00 C ATOM 1383 OG SER A 89 -22.933 -7.284 -4.326 1.00 0.00 O ATOM 0 H SER A 89 -21.423 -8.162 -5.869 1.00 0.00 H new ATOM 0 HA SER A 89 -21.795 -5.552 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.487 -5.439 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.706 -6.774 -6.165 1.00 0.00 H new ATOM 0 HG SER A 89 -23.822 -7.451 -3.948 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.924 -5.847 -4.360 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.137 -5.170 -3.346 1.00 0.00 C ATOM 1391 C LEU A 90 -18.083 -4.266 -3.976 1.00 0.00 C ATOM 1392 O LEU A 90 -17.874 -3.145 -3.513 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.476 -6.199 -2.424 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.439 -7.209 -1.808 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.664 -8.340 -1.174 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.332 -6.533 -0.784 1.00 0.00 C ATOM 0 H LEU A 90 -19.699 -6.835 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 90 -19.806 -4.541 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.716 -6.739 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -17.961 -5.671 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.073 -7.618 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.359 -9.057 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.060 -8.837 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.013 -7.943 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.013 -7.267 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.718 -6.102 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -20.908 -5.744 -1.268 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.467 -4.744 -5.059 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.341 -4.047 -5.697 1.00 0.00 C ATOM 1410 C ASP A 91 -16.684 -2.598 -6.029 1.00 0.00 C ATOM 1411 O ASP A 91 -15.964 -1.681 -5.647 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.925 -4.789 -6.978 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.910 -4.029 -7.821 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.324 -3.153 -8.607 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.701 -4.320 -7.723 1.00 0.00 O1- ATOM 0 H ASP A 91 -17.729 -5.617 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.513 -4.039 -4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.506 -5.758 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.813 -4.983 -7.580 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.810 -2.396 -6.691 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.194 -1.074 -7.183 1.00 0.00 C ATOM 1422 C ARG A 92 -18.204 -0.019 -6.074 1.00 0.00 C ATOM 1423 O ARG A 92 -17.683 1.077 -6.258 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.557 -1.156 -7.866 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.626 -1.808 -7.011 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.684 -2.462 -7.874 1.00 0.00 C ATOM 1427 NE ARG A 92 -21.097 -3.452 -8.784 1.00 0.00 N ATOM 1428 CZ ARG A 92 -21.672 -3.875 -9.909 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -22.864 -3.414 -10.276 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -21.042 -4.758 -10.675 1.00 0.00 N ATOM 0 H ARG A 92 -18.482 -3.133 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.443 -0.757 -7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.881 -0.150 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.455 -1.716 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.171 -2.554 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.088 -1.060 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.426 -2.945 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.207 -1.700 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 92 -20.187 -3.843 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.347 -2.730 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -23.295 -3.745 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.124 -5.108 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.476 -5.086 -11.538 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.785 -0.350 -4.930 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.855 0.592 -3.818 1.00 0.00 C ATOM 1446 C GLU A 93 -17.510 0.702 -3.096 1.00 0.00 C ATOM 1447 O GLU A 93 -16.965 1.796 -2.941 1.00 0.00 O ATOM 1448 CB GLU A 93 -19.943 0.164 -2.832 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.118 1.104 -1.643 1.00 0.00 C ATOM 1450 CD GLU A 93 -20.750 2.435 -2.011 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -21.994 2.499 -2.081 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -20.014 3.421 -2.220 1.00 0.00 O ATOM 0 H GLU A 93 -19.213 -1.257 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.102 1.572 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.891 0.090 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.708 -0.833 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.735 0.614 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.145 1.286 -1.188 1.00 0.00 H new ATOM 1459 N ILE A 94 -16.965 -0.437 -2.678 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.776 -0.441 -1.829 1.00 0.00 C ATOM 1461 C ILE A 94 -14.525 0.008 -2.585 1.00 0.00 C ATOM 1462 O ILE A 94 -13.624 0.615 -2.003 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.514 -1.825 -1.184 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.222 -2.889 -2.248 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.704 -2.240 -0.328 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.773 -4.218 -1.676 1.00 0.00 C ATOM 0 H ILE A 94 -17.324 -1.363 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.985 0.277 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.633 -1.740 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.119 -3.046 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.451 -2.514 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.508 -3.214 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.860 -1.503 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.597 -2.300 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.586 -4.919 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.858 -4.076 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.552 -4.616 -1.026 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.452 -0.290 -3.876 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.314 0.128 -4.658 1.00 0.00 C ATOM 1480 C GLN A 95 -13.485 1.567 -5.108 1.00 0.00 C ATOM 1481 O GLN A 95 -12.521 2.278 -5.298 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.113 -0.761 -5.870 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.014 -2.250 -5.558 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.711 -2.641 -4.900 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.725 -2.940 -5.568 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.702 -2.668 -3.586 1.00 0.00 N ATOM 0 H GLN A 95 -15.161 -0.813 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.432 0.045 -4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.941 -0.603 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.204 -0.450 -6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.841 -2.533 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.129 -2.816 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.541 -2.413 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.856 -2.944 -3.087 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.708 2.004 -5.302 1.00 0.00 N ATOM 1496 CA ALA A 96 -14.931 3.421 -5.539 1.00 0.00 C ATOM 1497 C ALA A 96 -14.346 4.199 -4.370 1.00 0.00 C ATOM 1498 O ALA A 96 -13.611 5.171 -4.549 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.410 3.731 -5.698 1.00 0.00 C ATOM 0 H ALA A 96 -15.546 1.422 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.442 3.712 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.541 4.799 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.810 3.172 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.941 3.445 -4.790 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.631 3.694 -3.176 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.188 4.273 -1.947 1.00 0.00 C ATOM 1507 C LEU A 97 -12.657 4.320 -1.844 1.00 0.00 C ATOM 1508 O LEU A 97 -12.066 5.386 -1.729 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.751 3.392 -0.843 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.629 3.985 0.520 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -16.005 4.271 1.097 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.821 3.086 1.438 1.00 0.00 C ATOM 0 H LEU A 97 -15.191 2.851 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.531 5.305 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.803 3.193 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.236 2.432 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.092 4.930 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.900 4.703 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.532 4.973 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.572 3.342 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.749 3.544 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.312 2.117 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.821 2.951 1.027 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.032 3.155 -1.914 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.574 3.043 -1.781 1.00 0.00 C ATOM 1526 C VAL A 98 -9.826 3.156 -3.118 1.00 0.00 C ATOM 1527 O VAL A 98 -8.869 3.918 -3.239 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.189 1.715 -1.097 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.679 1.527 -1.085 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.737 1.677 0.320 1.00 0.00 C ATOM 0 H VAL A 98 -12.508 2.265 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.269 3.889 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.628 0.897 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.434 0.584 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.306 1.514 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.214 2.349 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.459 0.735 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.322 2.507 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.823 1.762 0.292 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.266 2.397 -4.115 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.552 2.298 -5.391 1.00 0.00 C ATOM 1542 C LYS A 99 -9.564 3.632 -6.150 1.00 0.00 C ATOM 1543 O LYS A 99 -8.657 3.909 -6.933 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.143 1.162 -6.264 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.450 0.983 -7.609 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.256 0.097 -8.551 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.376 -1.323 -8.024 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.248 -2.171 -8.884 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.117 1.837 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.513 2.056 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.084 0.225 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.200 1.364 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.296 1.958 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.464 0.545 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.251 0.520 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.781 0.082 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.384 -1.771 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.779 -1.300 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.737 -2.875 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.951 -1.572 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.666 -2.658 -9.595 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.581 4.466 -5.926 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.606 5.780 -6.556 1.00 0.00 C ATOM 1564 C ARG A 100 -9.942 6.820 -5.652 1.00 0.00 C ATOM 1565 O ARG A 100 -9.344 7.789 -6.129 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.040 6.197 -6.899 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.145 7.563 -7.562 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.388 7.614 -8.880 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.363 8.965 -9.441 1.00 0.00 N ATOM 1570 CZ ARG A 100 -10.438 9.405 -10.294 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.495 8.587 -10.744 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -10.469 10.665 -10.713 1.00 0.00 N ATOM 0 H ARG A 100 -11.380 4.259 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.042 5.721 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.477 5.449 -7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.635 6.201 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.194 7.802 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.752 8.325 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.367 7.266 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.853 6.933 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.101 9.612 -9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.475 7.614 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.791 8.931 -11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.200 11.295 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.762 11.003 -11.366 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.039 6.613 -4.346 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.429 7.518 -3.385 1.00 0.00 C ATOM 1588 C ALA A 101 -8.220 6.877 -2.728 1.00 0.00 C ATOM 1589 O ALA A 101 -8.247 6.566 -1.539 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.440 7.939 -2.328 1.00 0.00 C ATOM 0 H ALA A 101 -10.535 5.825 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.097 8.405 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.964 8.616 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.278 8.446 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.803 7.057 -1.800 1.00 0.00 H new ATOM 1596 N SER A 102 -7.166 6.658 -3.506 1.00 0.00 N ATOM 1597 CA SER A 102 -5.942 6.078 -2.975 1.00 0.00 C ATOM 1598 C SER A 102 -4.936 7.176 -2.631 1.00 0.00 C ATOM 1599 O SER A 102 -4.228 7.688 -3.499 1.00 0.00 O ATOM 1600 CB SER A 102 -5.356 5.091 -3.979 1.00 0.00 C ATOM 1601 OG SER A 102 -6.367 4.238 -4.492 1.00 0.00 O ATOM 0 H SER A 102 -7.136 6.873 -4.503 1.00 0.00 H new ATOM 0 HA SER A 102 -6.173 5.538 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.882 5.634 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.579 4.495 -3.500 1.00 0.00 H new ATOM 0 HG SER A 102 -7.121 4.211 -3.866 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.885 7.551 -1.343 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.097 8.659 -0.842 1.00 0.00 C ATOM 1609 C PRO A 103 -2.818 8.250 -0.105 1.00 0.00 C ATOM 1610 O PRO A 103 -2.610 7.082 0.223 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.079 9.292 0.145 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.048 8.197 0.525 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.654 6.970 -0.254 1.00 0.00 C ATOM 0 HA PRO A 103 -3.735 9.297 -1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.558 9.675 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.600 10.135 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.009 8.002 1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.072 8.490 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.060 6.278 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.521 6.417 -0.614 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.972 9.243 0.149 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.750 9.073 0.916 1.00 0.00 C ATOM 1623 C LEU A 104 -0.486 10.334 1.729 1.00 0.00 C ATOM 1624 O LEU A 104 -0.433 11.435 1.181 1.00 0.00 O ATOM 1625 CB LEU A 104 0.450 8.772 0.005 1.00 0.00 C ATOM 1626 CG LEU A 104 0.591 7.308 -0.423 1.00 0.00 C ATOM 1627 CD1 LEU A 104 1.767 7.129 -1.373 1.00 0.00 C ATOM 1628 CD2 LEU A 104 0.771 6.413 0.793 1.00 0.00 C ATOM 0 H LEU A 104 -2.120 10.198 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.879 8.221 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.371 9.390 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.362 9.073 0.521 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.323 7.022 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.845 6.081 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.612 7.740 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.687 7.438 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.870 5.376 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.669 6.711 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.096 6.509 1.447 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.382 10.198 3.053 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.034 11.309 3.932 1.00 0.00 C ATOM 1642 C PRO A 105 1.469 11.535 3.983 1.00 0.00 C ATOM 1643 O PRO A 105 1.948 12.665 3.880 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.544 10.874 5.306 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.934 9.432 5.189 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.613 8.960 3.799 1.00 0.00 C ATOM 0 HA PRO A 105 -0.469 12.247 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.228 11.005 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.396 11.481 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.397 8.834 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.998 9.310 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.267 8.317 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.434 8.384 3.373 1.00 0.00 H new ATOM 1654 N THR A 106 2.195 10.450 4.170 1.00 0.00 N ATOM 1655 CA THR A 106 3.641 10.489 4.189 1.00 0.00 C ATOM 1656 C THR A 106 4.180 10.269 2.782 1.00 0.00 C ATOM 1657 O THR A 106 4.006 9.192 2.215 1.00 0.00 O ATOM 1658 CB THR A 106 4.201 9.409 5.132 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.547 9.492 6.408 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.700 9.571 5.321 1.00 0.00 C ATOM 0 H THR A 106 1.799 9.521 4.312 1.00 0.00 H new ATOM 0 HA THR A 106 3.957 11.467 4.552 1.00 0.00 H new ATOM 0 HB THR A 106 4.013 8.434 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.905 8.802 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.068 8.795 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.200 9.484 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.909 10.551 5.751 1.00 0.00 H new ATOM 1668 N PRO A 107 4.813 11.294 2.192 1.00 0.00 N ATOM 1669 CA PRO A 107 5.380 11.201 0.846 1.00 0.00 C ATOM 1670 C PRO A 107 6.494 10.163 0.781 1.00 0.00 C ATOM 1671 O PRO A 107 7.587 10.375 1.309 1.00 0.00 O ATOM 1672 CB PRO A 107 5.934 12.605 0.579 1.00 0.00 C ATOM 1673 CG PRO A 107 5.265 13.484 1.578 1.00 0.00 C ATOM 1674 CD PRO A 107 5.024 12.624 2.784 1.00 0.00 C ATOM 0 HA PRO A 107 4.641 10.888 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.017 12.630 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.715 12.928 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.892 14.340 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.328 13.879 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.874 12.634 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.156 12.957 3.353 1.00 0.00 H new ATOM 1682 N PRO A 108 6.233 9.024 0.128 1.00 0.00 N ATOM 1683 CA PRO A 108 7.154 7.898 0.107 1.00 0.00 C ATOM 1684 C PRO A 108 8.257 8.054 -0.931 1.00 0.00 C ATOM 1685 O PRO A 108 8.495 7.156 -1.741 1.00 0.00 O ATOM 1686 CB PRO A 108 6.246 6.728 -0.251 1.00 0.00 C ATOM 1687 CG PRO A 108 5.205 7.329 -1.132 1.00 0.00 C ATOM 1688 CD PRO A 108 5.009 8.746 -0.651 1.00 0.00 C ATOM 0 HA PRO A 108 7.683 7.784 1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.796 5.940 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.804 6.280 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.522 7.313 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.273 6.766 -1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.898 9.440 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.113 8.840 -0.037 1.00 0.00 H new ATOM 1696 N ALA A 109 8.932 9.194 -0.911 1.00 0.00 N ATOM 1697 CA ALA A 109 10.066 9.416 -1.796 1.00 0.00 C ATOM 1698 C ALA A 109 11.146 8.384 -1.511 1.00 0.00 C ATOM 1699 O ALA A 109 11.773 7.847 -2.423 1.00 0.00 O ATOM 1700 CB ALA A 109 10.609 10.826 -1.632 1.00 0.00 C ATOM 0 H ALA A 109 8.715 9.977 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 109 9.736 9.306 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.456 10.970 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.828 11.547 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.933 10.974 -0.602 1.00 0.00 H new ATOM 1706 N ASP A 110 11.301 8.068 -0.234 1.00 0.00 N ATOM 1707 CA ASP A 110 12.273 7.079 0.221 1.00 0.00 C ATOM 1708 C ASP A 110 11.794 5.665 -0.087 1.00 0.00 C ATOM 1709 O ASP A 110 12.436 4.683 0.285 1.00 0.00 O ATOM 1710 CB ASP A 110 12.509 7.225 1.730 1.00 0.00 C ATOM 1711 CG ASP A 110 11.298 6.836 2.564 1.00 0.00 C ATOM 1712 OD1 ASP A 110 10.229 7.454 2.387 1.00 0.00 O ATOM 1713 OD2 ASP A 110 11.421 5.936 3.425 1.00 0.00 O1- ATOM 0 H ASP A 110 10.757 8.489 0.519 1.00 0.00 H new ATOM 0 HA ASP A 110 13.208 7.254 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.357 6.605 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.778 8.258 1.951 1.00 0.00 H new ATOM 1718 N ALA A 111 10.659 5.562 -0.760 1.00 0.00 N ATOM 1719 CA ALA A 111 10.096 4.273 -1.105 1.00 0.00 C ATOM 1720 C ALA A 111 10.104 4.037 -2.612 1.00 0.00 C ATOM 1721 O ALA A 111 10.090 2.893 -3.065 1.00 0.00 O ATOM 1722 CB ALA A 111 8.678 4.160 -0.568 1.00 0.00 C ATOM 0 H ALA A 111 10.110 6.361 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 111 10.720 3.507 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.265 3.187 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 111 8.690 4.265 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.061 4.947 -1.002 1.00 0.00 H new ATOM 1728 N TYR A 112 10.137 5.111 -3.397 1.00 0.00 N ATOM 1729 CA TYR A 112 9.956 4.974 -4.837 1.00 0.00 C ATOM 1730 C TYR A 112 11.048 5.625 -5.656 1.00 0.00 C ATOM 1731 O TYR A 112 10.859 5.894 -6.844 1.00 0.00 O ATOM 1732 CB TYR A 112 8.581 5.441 -5.294 1.00 0.00 C ATOM 1733 CG TYR A 112 8.175 6.862 -4.956 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.042 7.936 -5.104 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.887 7.118 -4.515 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.634 9.222 -4.810 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.470 8.393 -4.225 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.345 9.447 -4.374 1.00 0.00 C ATOM 1739 OH TYR A 112 6.933 10.727 -4.085 1.00 0.00 O ATOM 0 H TYR A 112 10.284 6.065 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 112 10.029 3.903 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.529 5.325 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.838 4.768 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.049 7.763 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.196 6.296 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.321 10.048 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.461 8.569 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 112 7.422 11.363 -4.648 1.00 0.00 H new ATOM 1749 N VAL A 113 12.175 5.892 -5.031 1.00 0.00 N ATOM 1750 CA VAL A 113 13.318 6.423 -5.771 1.00 0.00 C ATOM 1751 C VAL A 113 13.883 5.330 -6.673 1.00 0.00 C ATOM 1752 O VAL A 113 14.809 4.596 -6.316 1.00 0.00 O ATOM 1753 CB VAL A 113 14.433 6.980 -4.851 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.073 8.374 -4.372 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.692 6.065 -3.658 1.00 0.00 C ATOM 0 H VAL A 113 12.331 5.756 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 113 12.959 7.263 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 113 15.350 7.027 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.865 8.753 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.957 9.035 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.137 8.337 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.480 6.491 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.780 5.967 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.001 5.082 -4.014 1.00 0.00 H new ATOM 1765 N ASN A 114 13.306 5.286 -7.870 1.00 0.00 N ATOM 1766 CA ASN A 114 13.497 4.221 -8.854 1.00 0.00 C ATOM 1767 C ASN A 114 12.317 4.233 -9.821 1.00 0.00 C ATOM 1768 O ASN A 114 12.337 3.575 -10.860 1.00 0.00 O ATOM 1769 CB ASN A 114 13.635 2.814 -8.213 1.00 0.00 C ATOM 1770 CG ASN A 114 12.525 2.412 -7.232 1.00 0.00 C ATOM 1771 OD1 ASN A 114 12.781 1.681 -6.276 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.296 2.859 -7.449 1.00 0.00 N ATOM 0 H ASN A 114 12.671 6.015 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 114 14.435 4.417 -9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.672 2.074 -9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.590 2.766 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.539 2.598 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.107 3.464 -8.248 1.00 0.00 H new ATOM 1779 N GLY A 115 11.275 4.980 -9.451 1.00 0.00 N ATOM 1780 CA GLY A 115 10.103 5.096 -10.292 1.00 0.00 C ATOM 1781 C GLY A 115 8.899 5.633 -9.538 1.00 0.00 C ATOM 1782 O GLY A 115 8.667 6.841 -9.509 1.00 0.00 O ATOM 0 H GLY A 115 11.227 5.507 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.326 5.755 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.861 4.119 -10.709 1.00 0.00 H new ATOM 1786 N THR A 116 8.153 4.731 -8.910 1.00 0.00 N ATOM 1787 CA THR A 116 6.915 5.064 -8.219 1.00 0.00 C ATOM 1788 C THR A 116 6.582 3.956 -7.225 1.00 0.00 C ATOM 1789 O THR A 116 7.289 2.947 -7.173 1.00 0.00 O ATOM 1790 CB THR A 116 5.746 5.239 -9.210 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.951 4.418 -10.369 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.588 6.696 -9.623 1.00 0.00 C ATOM 0 H THR A 116 8.393 3.741 -8.866 1.00 0.00 H new ATOM 0 HA THR A 116 7.057 6.010 -7.696 1.00 0.00 H new ATOM 0 HB THR A 116 4.830 4.927 -8.708 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.202 4.536 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.756 6.788 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.390 7.305 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.505 7.040 -10.103 1.00 0.00 H new ATOM 1800 N VAL A 117 5.532 4.128 -6.431 1.00 0.00 N ATOM 1801 CA VAL A 117 5.167 3.103 -5.465 1.00 0.00 C ATOM 1802 C VAL A 117 3.972 2.312 -5.959 1.00 0.00 C ATOM 1803 O VAL A 117 2.850 2.814 -6.008 1.00 0.00 O ATOM 1804 CB VAL A 117 4.831 3.667 -4.054 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.083 4.093 -3.311 1.00 0.00 C ATOM 1806 CG2 VAL A 117 3.846 4.828 -4.129 1.00 0.00 C ATOM 0 H VAL A 117 4.930 4.951 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 117 6.047 2.467 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 117 4.360 2.856 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.809 4.482 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.744 3.235 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.596 4.869 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.637 5.194 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.276 5.632 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.919 4.489 -4.592 1.00 0.00 H new ATOM 1816 N GLU A 118 4.232 1.081 -6.352 1.00 0.00 N ATOM 1817 CA GLU A 118 3.175 0.150 -6.659 1.00 0.00 C ATOM 1818 C GLU A 118 3.166 -0.900 -5.569 1.00 0.00 C ATOM 1819 O GLU A 118 4.087 -1.711 -5.478 1.00 0.00 O ATOM 1820 CB GLU A 118 3.412 -0.504 -8.024 1.00 0.00 C ATOM 1821 CG GLU A 118 2.193 -1.227 -8.577 1.00 0.00 C ATOM 1822 CD GLU A 118 2.513 -2.059 -9.808 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.872 -1.472 -10.851 1.00 0.00 O ATOM 1824 OE2 GLU A 118 2.397 -3.305 -9.740 1.00 0.00 O1- ATOM 0 H GLU A 118 5.173 0.705 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 118 2.216 0.666 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.722 0.262 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.236 -1.213 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.778 -1.874 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.424 -0.496 -8.827 1.00 0.00 H new ATOM 1831 N LEU A 119 2.143 -0.881 -4.741 1.00 0.00 N ATOM 1832 CA LEU A 119 2.097 -1.769 -3.597 1.00 0.00 C ATOM 1833 C LEU A 119 0.676 -2.240 -3.353 1.00 0.00 C ATOM 1834 O LEU A 119 -0.286 -1.515 -3.620 1.00 0.00 O ATOM 1835 CB LEU A 119 2.680 -1.071 -2.356 1.00 0.00 C ATOM 1836 CG LEU A 119 1.922 0.161 -1.842 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.249 -0.158 -0.529 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.863 1.345 -1.672 1.00 0.00 C ATOM 0 H LEU A 119 1.336 -0.265 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 119 2.708 -2.647 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.733 -1.801 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.703 -0.772 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 119 1.164 0.429 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.714 0.722 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.545 -0.978 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.001 -0.448 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.303 2.206 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.643 1.090 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.318 1.589 -2.632 1.00 0.00 H new ATOM 1850 N THR A 120 0.552 -3.466 -2.883 1.00 0.00 N ATOM 1851 CA THR A 120 -0.745 -4.061 -2.647 1.00 0.00 C ATOM 1852 C THR A 120 -1.186 -3.864 -1.205 1.00 0.00 C ATOM 1853 O THR A 120 -0.551 -4.363 -0.273 1.00 0.00 O ATOM 1854 CB THR A 120 -0.737 -5.566 -2.960 1.00 0.00 C ATOM 1855 OG1 THR A 120 -0.329 -5.792 -4.317 1.00 0.00 O ATOM 1856 CG2 THR A 120 -2.116 -6.151 -2.728 1.00 0.00 C ATOM 0 H THR A 120 1.341 -4.071 -2.656 1.00 0.00 H new ATOM 0 HA THR A 120 -1.446 -3.559 -3.313 1.00 0.00 H new ATOM 0 HB THR A 120 -0.026 -6.057 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 120 -0.327 -6.754 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.101 -7.218 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.404 -6.003 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.836 -5.654 -3.378 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.278 -3.145 -1.027 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.842 -2.944 0.290 1.00 0.00 C ATOM 1866 C LEU A 121 -4.160 -3.672 0.418 1.00 0.00 C ATOM 1867 O LEU A 121 -5.074 -3.459 -0.373 1.00 0.00 O ATOM 1868 CB LEU A 121 -3.025 -1.454 0.570 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.714 -0.705 0.730 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.949 0.743 1.122 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.857 -1.430 1.754 1.00 0.00 C ATOM 0 H LEU A 121 -2.792 -2.690 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.151 -3.352 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.594 -1.006 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.617 -1.332 1.477 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.189 -0.686 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.991 1.251 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.538 1.238 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.487 0.781 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.088 -0.901 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.381 -1.464 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.662 -2.446 1.411 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.272 -4.563 1.402 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.513 -5.261 1.664 1.00 0.00 C ATOM 1885 C PRO A 122 -6.519 -4.334 2.323 1.00 0.00 C ATOM 1886 O PRO A 122 -6.274 -3.803 3.409 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.116 -6.394 2.624 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.625 -6.361 2.704 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.211 -4.967 2.327 1.00 0.00 C ATOM 0 HA PRO A 122 -5.983 -5.630 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.563 -6.247 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.466 -7.358 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.284 -6.609 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.183 -7.093 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.157 -4.310 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.230 -4.949 1.853 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.640 -4.130 1.663 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.704 -3.335 2.230 1.00 0.00 C ATOM 1899 C ILE A 123 -9.735 -4.281 2.838 1.00 0.00 C ATOM 1900 O ILE A 123 -10.295 -5.146 2.154 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.353 -2.379 1.187 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.220 -3.137 0.189 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.272 -1.606 0.433 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -11.059 -2.224 -0.669 1.00 0.00 C ATOM 0 H ILE A 123 -7.836 -4.504 0.735 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.290 -2.688 3.003 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.990 -1.685 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.581 -3.745 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.873 -3.822 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.740 -0.941 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.686 -1.018 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.618 -2.307 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.655 -2.820 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.721 -1.635 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.409 -1.556 -1.234 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.937 -4.179 4.137 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.770 -5.152 4.816 1.00 0.00 C ATOM 1918 C ASP A 124 -12.101 -4.569 5.232 1.00 0.00 C ATOM 1919 O ASP A 124 -12.175 -3.562 5.943 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.042 -5.697 6.046 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.878 -6.665 6.861 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -11.612 -6.219 7.767 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -10.777 -7.883 6.621 1.00 0.00 O1- ATOM 0 H ASP A 124 -9.546 -3.449 4.733 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.966 -5.960 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.128 -6.198 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.743 -4.863 6.681 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.146 -5.198 4.746 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.472 -5.044 5.286 1.00 0.00 C ATOM 1930 C PHE A 125 -14.892 -6.392 5.839 1.00 0.00 C ATOM 1931 O PHE A 125 -14.565 -7.423 5.246 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.450 -4.581 4.209 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.139 -3.230 3.619 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.075 -3.062 2.745 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.917 -2.129 3.935 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.793 -1.825 2.201 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -15.640 -0.888 3.392 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.576 -0.736 2.525 1.00 0.00 C ATOM 0 H PHE A 125 -13.096 -5.839 3.954 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.476 -4.286 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.463 -5.319 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.453 -4.555 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.459 -3.911 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.750 -2.241 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.961 -1.710 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -16.256 -0.038 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 125 -14.357 0.233 2.101 1.00 0.00 H new ATOM 1948 N SER A 126 -15.590 -6.409 6.957 1.00 0.00 N ATOM 1949 CA SER A 126 -16.029 -7.668 7.534 1.00 0.00 C ATOM 1950 C SER A 126 -17.077 -8.331 6.643 1.00 0.00 C ATOM 1951 O SER A 126 -18.244 -7.931 6.629 1.00 0.00 O ATOM 1952 CB SER A 126 -16.589 -7.421 8.930 1.00 0.00 C ATOM 1953 OG SER A 126 -15.670 -6.674 9.710 1.00 0.00 O ATOM 0 H SER A 126 -15.864 -5.577 7.480 1.00 0.00 H new ATOM 0 HA SER A 126 -15.176 -8.343 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.535 -6.884 8.859 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.799 -8.373 9.418 1.00 0.00 H new ATOM 0 HG SER A 126 -16.046 -6.523 10.602 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.643 -9.345 5.905 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.512 -10.073 4.989 1.00 0.00 C ATOM 1961 C LEU A 127 -18.391 -11.051 5.754 1.00 0.00 C ATOM 1962 O LEU A 127 -18.086 -12.240 5.851 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.675 -10.820 3.941 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.702 -10.218 2.530 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.592 -10.784 1.667 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.037 -10.481 1.863 1.00 0.00 C ATOM 0 H LEU A 127 -15.682 -9.685 5.924 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.154 -9.356 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.641 -10.855 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.027 -11.850 3.886 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.552 -9.143 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -15.639 -10.337 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.627 -10.558 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -15.710 -11.864 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.036 -10.046 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.202 -11.556 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.834 -10.030 2.454 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.471 -10.538 6.313 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.390 -11.345 7.074 1.00 0.00 C ATOM 1980 C ARG A 128 -21.517 -11.850 6.185 1.00 0.00 C ATOM 1981 O ARG A 128 -21.784 -13.049 6.121 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.962 -10.517 8.217 1.00 0.00 C ATOM 1983 CG ARG A 128 -19.906 -9.886 9.113 1.00 0.00 C ATOM 1984 CD ARG A 128 -20.542 -9.129 10.265 1.00 0.00 C ATOM 1985 NE ARG A 128 -21.212 -10.025 11.206 1.00 0.00 N ATOM 1986 CZ ARG A 128 -22.177 -9.644 12.042 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -22.664 -8.412 11.988 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -22.678 -10.509 12.911 1.00 0.00 N ATOM 0 H ARG A 128 -19.730 -9.554 6.250 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.857 -12.206 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.590 -9.729 7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.607 -11.152 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.247 -10.661 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.287 -9.207 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.776 -8.558 10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.262 -8.411 9.873 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.923 -11.003 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.300 -7.749 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.403 -8.127 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.325 -11.466 12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -23.417 -10.219 13.552 1.00 0.00 H new ATOM 2002 N GLY A 129 -22.156 -10.927 5.483 1.00 0.00 N ATOM 2003 CA GLY A 129 -23.296 -11.274 4.663 1.00 0.00 C ATOM 2004 C GLY A 129 -23.171 -10.726 3.260 1.00 0.00 C ATOM 2005 O GLY A 129 -23.886 -9.797 2.884 1.00 0.00 O ATOM 0 H GLY A 129 -21.903 -9.939 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -23.396 -12.359 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -24.205 -10.888 5.124 1.00 0.00 H new ATOM 2009 N ALA A 130 -22.242 -11.288 2.502 1.00 0.00 N ATOM 2010 CA ALA A 130 -22.017 -10.889 1.119 1.00 0.00 C ATOM 2011 C ALA A 130 -21.103 -11.889 0.429 1.00 0.00 C ATOM 2012 O ALA A 130 -20.832 -12.963 0.970 1.00 0.00 O ATOM 2013 CB ALA A 130 -21.420 -9.494 1.048 1.00 0.00 C ATOM 0 H ALA A 130 -21.624 -12.032 2.826 1.00 0.00 H new ATOM 0 HA ALA A 130 -22.978 -10.874 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -21.261 -9.219 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -22.103 -8.782 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -20.467 -9.479 1.576 1.00 0.00 H new ATOM 2019 N GLY A 131 -20.636 -11.539 -0.761 1.00 0.00 N ATOM 2020 CA GLY A 131 -19.763 -12.424 -1.499 1.00 0.00 C ATOM 2021 C GLY A 131 -20.541 -13.293 -2.455 1.00 0.00 C ATOM 2022 O GLY A 131 -20.090 -14.371 -2.843 1.00 0.00 O ATOM 0 H GLY A 131 -20.847 -10.657 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -19.031 -11.837 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -19.207 -13.053 -0.803 1.00 0.00 H new ATOM 2026 N PHE A 132 -21.723 -12.822 -2.823 1.00 0.00 N ATOM 2027 CA PHE A 132 -22.605 -13.551 -3.712 1.00 0.00 C ATOM 2028 C PHE A 132 -23.456 -12.561 -4.498 1.00 0.00 C ATOM 2029 O PHE A 132 -23.687 -12.787 -5.702 1.00 0.00 O ATOM 2030 CB PHE A 132 -23.485 -14.529 -2.914 1.00 0.00 C ATOM 2031 CG PHE A 132 -24.441 -13.874 -1.948 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -24.026 -13.525 -0.672 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -25.750 -13.606 -2.318 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -24.896 -12.924 0.217 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -26.626 -13.004 -1.432 1.00 0.00 C ATOM 2036 CZ PHE A 132 -26.197 -12.660 -0.164 1.00 0.00 C ATOM 2037 OXT PHE A 132 -23.840 -11.524 -3.917 1.00 0.00 O ATOM 0 H PHE A 132 -22.094 -11.924 -2.512 1.00 0.00 H new ATOM 0 HA PHE A 132 -22.012 -14.139 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -24.058 -15.136 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -22.838 -15.208 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -23.009 -13.726 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -26.090 -13.870 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -24.559 -12.661 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -27.644 -12.803 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 132 -26.878 -12.186 0.527 1.00 0.00 H new TER 2047 PHE A 132