USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 843 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 53 LYS NZ :NH3+ -150:sc= 0.16 (180deg=0) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0.152 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 80:sc= -6.58! USER MOD Single : A 3 SER OG : rot 56:sc= 0.283 USER MOD Single : A 5 SER OG : rot 63:sc= 0.768 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 85:sc= 0.669 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.917 (180deg=-1.27) USER MOD Single : A 26 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0759) USER MOD Single : A 40 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 44 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.16) USER MOD Single : A 48 SER OG : rot -45:sc= 0.881 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0306) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc=-0.00913 USER MOD Single : A 60 MET CE :methyl 160:sc= -0.235 (180deg=-1.34) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.17) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0.794) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -140:sc= 1.28 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.084 -29.894 19.373 1.00 0.00 N ATOM 2 CA GLY A 1 -9.157 -29.102 18.795 1.00 0.00 C ATOM 3 C GLY A 1 -8.614 -27.810 18.179 1.00 0.00 C ATOM 4 O GLY A 1 -8.001 -26.999 18.871 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.478 -30.764 19.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.397 -30.141 18.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.609 -29.344 20.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.673 -29.684 18.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.892 -28.862 19.564 1.00 0.00 H new ATOM 8 N SER A 2 -8.859 -27.660 16.886 1.00 0.00 N ATOM 9 CA SER A 2 -8.403 -26.481 16.170 1.00 0.00 C ATOM 10 C SER A 2 -9.479 -25.394 16.213 1.00 0.00 C ATOM 11 O SER A 2 -9.298 -24.362 16.857 1.00 0.00 O ATOM 12 CB SER A 2 -8.048 -26.820 14.721 1.00 0.00 C ATOM 13 OG SER A 2 -6.809 -27.518 14.624 1.00 0.00 O ATOM 0 H SER A 2 -9.368 -28.335 16.315 1.00 0.00 H new ATOM 0 HA SER A 2 -7.502 -26.111 16.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.841 -27.428 14.286 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.993 -25.901 14.137 1.00 0.00 H new ATOM 0 HG SER A 2 -6.948 -28.464 14.840 1.00 0.00 H new ATOM 19 N SER A 3 -10.574 -25.663 15.517 1.00 0.00 N ATOM 20 CA SER A 3 -11.679 -24.720 15.468 1.00 0.00 C ATOM 21 C SER A 3 -12.861 -25.339 14.719 1.00 0.00 C ATOM 22 O SER A 3 -12.751 -26.438 14.178 1.00 0.00 O ATOM 23 CB SER A 3 -11.256 -23.410 14.801 1.00 0.00 C ATOM 24 OG SER A 3 -11.084 -22.360 15.749 1.00 0.00 O ATOM 0 H SER A 3 -10.720 -26.520 14.983 1.00 0.00 H new ATOM 0 HA SER A 3 -11.982 -24.494 16.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.324 -23.564 14.258 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.008 -23.117 14.068 1.00 0.00 H new ATOM 0 HG SER A 3 -10.436 -22.637 16.430 1.00 0.00 H new ATOM 30 N GLY A 4 -13.965 -24.606 14.712 1.00 0.00 N ATOM 31 CA GLY A 4 -15.166 -25.069 14.038 1.00 0.00 C ATOM 32 C GLY A 4 -15.958 -23.894 13.459 1.00 0.00 C ATOM 33 O GLY A 4 -16.061 -22.841 14.087 1.00 0.00 O ATOM 0 H GLY A 4 -14.053 -23.695 15.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.896 -25.759 13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.790 -25.623 14.739 1.00 0.00 H new ATOM 37 N SER A 5 -16.496 -24.114 12.269 1.00 0.00 N ATOM 38 CA SER A 5 -17.275 -23.087 11.599 1.00 0.00 C ATOM 39 C SER A 5 -17.615 -23.533 10.175 1.00 0.00 C ATOM 40 O SER A 5 -16.891 -24.330 9.581 1.00 0.00 O ATOM 41 CB SER A 5 -16.523 -21.755 11.572 1.00 0.00 C ATOM 42 OG SER A 5 -17.005 -20.850 12.562 1.00 0.00 O ATOM 0 H SER A 5 -16.408 -24.988 11.751 1.00 0.00 H new ATOM 0 HA SER A 5 -18.199 -22.940 12.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.460 -21.935 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.624 -21.301 10.586 1.00 0.00 H new ATOM 0 HG SER A 5 -16.848 -21.226 13.453 1.00 0.00 H new ATOM 48 N SER A 6 -18.717 -23.000 9.669 1.00 0.00 N ATOM 49 CA SER A 6 -19.162 -23.333 8.327 1.00 0.00 C ATOM 50 C SER A 6 -20.356 -22.459 7.938 1.00 0.00 C ATOM 51 O SER A 6 -21.138 -22.054 8.797 1.00 0.00 O ATOM 52 CB SER A 6 -19.531 -24.814 8.221 1.00 0.00 C ATOM 53 OG SER A 6 -19.851 -25.190 6.884 1.00 0.00 O ATOM 0 H SER A 6 -19.315 -22.339 10.165 1.00 0.00 H new ATOM 0 HA SER A 6 -18.340 -23.141 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.700 -25.421 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.381 -25.023 8.870 1.00 0.00 H new ATOM 0 HG SER A 6 -20.079 -26.143 6.858 1.00 0.00 H new ATOM 59 N GLY A 7 -20.458 -22.193 6.644 1.00 0.00 N ATOM 60 CA GLY A 7 -21.543 -21.374 6.132 1.00 0.00 C ATOM 61 C GLY A 7 -21.106 -19.915 5.983 1.00 0.00 C ATOM 62 O GLY A 7 -20.977 -19.198 6.974 1.00 0.00 O ATOM 0 H GLY A 7 -19.807 -22.530 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.870 -21.760 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.398 -21.434 6.806 1.00 0.00 H new ATOM 66 N ALA A 8 -20.892 -19.519 4.737 1.00 0.00 N ATOM 67 CA ALA A 8 -20.472 -18.159 4.446 1.00 0.00 C ATOM 68 C ALA A 8 -20.384 -17.971 2.930 1.00 0.00 C ATOM 69 O ALA A 8 -20.072 -18.911 2.202 1.00 0.00 O ATOM 70 CB ALA A 8 -19.143 -17.873 5.148 1.00 0.00 C ATOM 0 H ALA A 8 -21.002 -20.116 3.917 1.00 0.00 H new ATOM 0 HA ALA A 8 -21.201 -17.443 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.828 -16.853 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.267 -17.992 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.385 -18.571 4.791 1.00 0.00 H new ATOM 76 N PRO A 9 -20.671 -16.717 2.489 1.00 0.00 N ATOM 77 CA PRO A 9 -20.627 -16.393 1.073 1.00 0.00 C ATOM 78 C PRO A 9 -19.183 -16.272 0.583 1.00 0.00 C ATOM 79 O PRO A 9 -18.244 -16.493 1.347 1.00 0.00 O ATOM 80 CB PRO A 9 -21.410 -15.097 0.942 1.00 0.00 C ATOM 81 CG PRO A 9 -21.467 -14.500 2.338 1.00 0.00 C ATOM 82 CD PRO A 9 -21.045 -15.578 3.323 1.00 0.00 C ATOM 0 HA PRO A 9 -21.065 -17.172 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.922 -14.415 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -22.412 -15.284 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.806 -13.636 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -22.475 -14.151 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.209 -15.246 3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -21.858 -15.834 4.002 1.00 0.00 H new ATOM 90 N ALA A 10 -19.050 -15.920 -0.687 1.00 0.00 N ATOM 91 CA ALA A 10 -17.736 -15.766 -1.288 1.00 0.00 C ATOM 92 C ALA A 10 -17.855 -14.914 -2.553 1.00 0.00 C ATOM 93 O ALA A 10 -18.924 -14.841 -3.158 1.00 0.00 O ATOM 94 CB ALA A 10 -17.139 -17.146 -1.568 1.00 0.00 C ATOM 0 H ALA A 10 -19.831 -15.737 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.060 -15.250 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.153 -17.031 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.048 -17.700 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.789 -17.692 -2.252 1.00 0.00 H new ATOM 100 N GLU A 11 -16.743 -14.291 -2.915 1.00 0.00 N ATOM 101 CA GLU A 11 -16.710 -13.447 -4.098 1.00 0.00 C ATOM 102 C GLU A 11 -15.279 -13.335 -4.629 1.00 0.00 C ATOM 103 O GLU A 11 -14.401 -12.803 -3.951 1.00 0.00 O ATOM 104 CB GLU A 11 -17.295 -12.065 -3.801 1.00 0.00 C ATOM 105 CG GLU A 11 -18.822 -12.120 -3.731 1.00 0.00 C ATOM 106 CD GLU A 11 -19.429 -10.725 -3.897 1.00 0.00 C ATOM 107 OE1 GLU A 11 -18.882 -9.790 -3.273 1.00 0.00 O ATOM 108 OE2 GLU A 11 -20.426 -10.625 -4.645 1.00 0.00 O ATOM 0 H GLU A 11 -15.859 -14.354 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.328 -13.908 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.897 -11.693 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.988 -11.362 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.202 -12.781 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.131 -12.544 -2.775 1.00 0.00 H new ATOM 115 N PRO A 12 -15.084 -13.857 -5.869 1.00 0.00 N ATOM 116 CA PRO A 12 -13.775 -13.821 -6.499 1.00 0.00 C ATOM 117 C PRO A 12 -13.448 -12.413 -7.003 1.00 0.00 C ATOM 118 O PRO A 12 -14.164 -11.460 -6.699 1.00 0.00 O ATOM 119 CB PRO A 12 -13.847 -14.849 -7.616 1.00 0.00 C ATOM 120 CG PRO A 12 -15.327 -15.088 -7.868 1.00 0.00 C ATOM 121 CD PRO A 12 -16.100 -14.495 -6.701 1.00 0.00 C ATOM 0 HA PRO A 12 -12.968 -14.061 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.352 -14.484 -8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.345 -15.773 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.635 -14.624 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.531 -16.155 -7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.842 -13.773 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.637 -15.266 -6.149 1.00 0.00 H new ATOM 129 N ALA A 13 -12.367 -12.328 -7.764 1.00 0.00 N ATOM 130 CA ALA A 13 -11.937 -11.054 -8.312 1.00 0.00 C ATOM 131 C ALA A 13 -11.246 -11.289 -9.657 1.00 0.00 C ATOM 132 O ALA A 13 -11.421 -12.339 -10.273 1.00 0.00 O ATOM 133 CB ALA A 13 -11.027 -10.345 -7.306 1.00 0.00 C ATOM 0 H ALA A 13 -11.776 -13.121 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.794 -10.405 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.705 -9.389 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.573 -10.175 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.154 -10.966 -7.104 1.00 0.00 H new ATOM 139 N ALA A 14 -10.476 -10.295 -10.073 1.00 0.00 N ATOM 140 CA ALA A 14 -9.758 -10.380 -11.333 1.00 0.00 C ATOM 141 C ALA A 14 -8.507 -9.502 -11.264 1.00 0.00 C ATOM 142 O ALA A 14 -8.396 -8.516 -11.991 1.00 0.00 O ATOM 143 CB ALA A 14 -10.689 -9.979 -12.479 1.00 0.00 C ATOM 0 H ALA A 14 -10.333 -9.425 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.432 -11.403 -11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.150 -10.043 -13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.546 -10.652 -12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.034 -8.957 -12.326 1.00 0.00 H new ATOM 149 N PRO A 15 -7.573 -9.902 -10.360 1.00 0.00 N ATOM 150 CA PRO A 15 -6.335 -9.162 -10.186 1.00 0.00 C ATOM 151 C PRO A 15 -5.373 -9.423 -11.348 1.00 0.00 C ATOM 152 O PRO A 15 -5.783 -9.908 -12.401 1.00 0.00 O ATOM 153 CB PRO A 15 -5.786 -9.623 -8.846 1.00 0.00 C ATOM 154 CG PRO A 15 -6.489 -10.935 -8.537 1.00 0.00 C ATOM 155 CD PRO A 15 -7.671 -11.065 -9.483 1.00 0.00 C ATOM 0 HA PRO A 15 -6.486 -8.083 -10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.706 -9.760 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.980 -8.883 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.805 -11.774 -8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.826 -10.953 -7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.624 -11.994 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.615 -11.072 -8.938 1.00 0.00 H new ATOM 163 N LYS A 16 -4.112 -9.089 -11.116 1.00 0.00 N ATOM 164 CA LYS A 16 -3.089 -9.281 -12.129 1.00 0.00 C ATOM 165 C LYS A 16 -3.311 -8.284 -13.268 1.00 0.00 C ATOM 166 O LYS A 16 -2.516 -7.365 -13.457 1.00 0.00 O ATOM 167 CB LYS A 16 -3.056 -10.741 -12.588 1.00 0.00 C ATOM 168 CG LYS A 16 -1.897 -11.495 -11.932 1.00 0.00 C ATOM 169 CD LYS A 16 -2.288 -12.944 -11.630 1.00 0.00 C ATOM 170 CE LYS A 16 -1.696 -13.899 -12.669 1.00 0.00 C ATOM 171 NZ LYS A 16 -2.685 -14.933 -13.044 1.00 0.00 N ATOM 0 H LYS A 16 -3.776 -8.687 -10.241 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.101 -9.078 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.999 -11.226 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.955 -10.783 -13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.028 -11.478 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.607 -10.993 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.937 -13.220 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.374 -13.037 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.392 -13.340 -13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.800 -14.373 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.268 -15.573 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.955 -15.477 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.529 -14.477 -13.446 1.00 0.00 H new ATOM 185 N SER A 17 -4.397 -8.499 -13.996 1.00 0.00 N ATOM 186 CA SER A 17 -4.734 -7.630 -15.111 1.00 0.00 C ATOM 187 C SER A 17 -4.414 -6.176 -14.757 1.00 0.00 C ATOM 188 O SER A 17 -4.887 -5.662 -13.744 1.00 0.00 O ATOM 189 CB SER A 17 -6.209 -7.771 -15.493 1.00 0.00 C ATOM 190 OG SER A 17 -6.372 -8.213 -16.838 1.00 0.00 O ATOM 0 H SER A 17 -5.055 -9.262 -13.836 1.00 0.00 H new ATOM 0 HA SER A 17 -4.134 -7.928 -15.971 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.692 -8.477 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.710 -6.812 -15.363 1.00 0.00 H new ATOM 0 HG SER A 17 -7.327 -8.292 -17.043 1.00 0.00 H new ATOM 196 N GLY A 18 -3.615 -5.555 -15.611 1.00 0.00 N ATOM 197 CA GLY A 18 -3.227 -4.170 -15.401 1.00 0.00 C ATOM 198 C GLY A 18 -1.718 -3.990 -15.583 1.00 0.00 C ATOM 199 O GLY A 18 -1.005 -3.688 -14.627 1.00 0.00 O ATOM 0 H GLY A 18 -3.225 -5.985 -16.450 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.761 -3.529 -16.102 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.516 -3.856 -14.398 1.00 0.00 H new ATOM 203 N GLU A 19 -1.277 -4.182 -16.818 1.00 0.00 N ATOM 204 CA GLU A 19 0.134 -4.045 -17.138 1.00 0.00 C ATOM 205 C GLU A 19 0.329 -3.005 -18.243 1.00 0.00 C ATOM 206 O GLU A 19 0.067 -3.282 -19.413 1.00 0.00 O ATOM 207 CB GLU A 19 0.739 -5.391 -17.538 1.00 0.00 C ATOM 208 CG GLU A 19 2.156 -5.214 -18.088 1.00 0.00 C ATOM 209 CD GLU A 19 2.680 -6.522 -18.686 1.00 0.00 C ATOM 210 OE1 GLU A 19 1.852 -7.248 -19.275 1.00 0.00 O ATOM 211 OE2 GLU A 19 3.898 -6.764 -18.539 1.00 0.00 O ATOM 0 H GLU A 19 -1.872 -4.431 -17.608 1.00 0.00 H new ATOM 0 HA GLU A 19 0.657 -3.701 -16.246 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.761 -6.055 -16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.110 -5.867 -18.290 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.159 -4.435 -18.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.821 -4.883 -17.290 1.00 0.00 H new ATOM 218 N ALA A 20 0.786 -1.831 -17.834 1.00 0.00 N ATOM 219 CA ALA A 20 1.018 -0.749 -18.776 1.00 0.00 C ATOM 220 C ALA A 20 1.787 0.374 -18.076 1.00 0.00 C ATOM 221 O ALA A 20 2.139 0.253 -16.903 1.00 0.00 O ATOM 222 CB ALA A 20 -0.319 -0.272 -19.346 1.00 0.00 C ATOM 0 H ALA A 20 1.002 -1.605 -16.863 1.00 0.00 H new ATOM 0 HA ALA A 20 1.625 -1.093 -19.613 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.145 0.540 -20.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.812 -1.099 -19.857 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.954 0.083 -18.535 1.00 0.00 H new ATOM 228 N GLU A 21 2.025 1.441 -18.825 1.00 0.00 N ATOM 229 CA GLU A 21 2.745 2.584 -18.291 1.00 0.00 C ATOM 230 C GLU A 21 2.273 2.892 -16.869 1.00 0.00 C ATOM 231 O GLU A 21 1.076 2.856 -16.587 1.00 0.00 O ATOM 232 CB GLU A 21 2.586 3.805 -19.199 1.00 0.00 C ATOM 233 CG GLU A 21 3.422 3.655 -20.471 1.00 0.00 C ATOM 234 CD GLU A 21 3.648 5.012 -21.141 1.00 0.00 C ATOM 235 OE1 GLU A 21 4.506 5.763 -20.629 1.00 0.00 O ATOM 236 OE2 GLU A 21 2.958 5.267 -22.152 1.00 0.00 O ATOM 0 H GLU A 21 1.732 1.538 -19.797 1.00 0.00 H new ATOM 0 HA GLU A 21 3.806 2.336 -18.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.536 3.932 -19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.891 4.704 -18.663 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.383 3.201 -20.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.918 2.982 -21.165 1.00 0.00 H new ATOM 243 N THR A 22 3.237 3.189 -16.010 1.00 0.00 N ATOM 244 CA THR A 22 2.935 3.504 -14.624 1.00 0.00 C ATOM 245 C THR A 22 3.849 4.621 -14.119 1.00 0.00 C ATOM 246 O THR A 22 5.017 4.383 -13.815 1.00 0.00 O ATOM 247 CB THR A 22 3.047 2.213 -13.811 1.00 0.00 C ATOM 248 OG1 THR A 22 2.135 1.321 -14.447 1.00 0.00 O ATOM 249 CG2 THR A 22 2.492 2.364 -12.393 1.00 0.00 C ATOM 0 H THR A 22 4.229 3.218 -16.247 1.00 0.00 H new ATOM 0 HA THR A 22 1.920 3.886 -14.518 1.00 0.00 H new ATOM 0 HB THR A 22 4.092 1.905 -13.762 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.578 0.886 -15.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.596 1.419 -11.859 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.046 3.141 -11.866 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.438 2.639 -12.442 1.00 0.00 H new ATOM 257 N PRO A 23 3.269 5.849 -14.044 1.00 0.00 N ATOM 258 CA PRO A 23 4.018 7.004 -13.581 1.00 0.00 C ATOM 259 C PRO A 23 4.208 6.962 -12.063 1.00 0.00 C ATOM 260 O PRO A 23 3.656 6.095 -11.388 1.00 0.00 O ATOM 261 CB PRO A 23 3.214 8.207 -14.046 1.00 0.00 C ATOM 262 CG PRO A 23 1.818 7.686 -14.342 1.00 0.00 C ATOM 263 CD PRO A 23 1.888 6.168 -14.396 1.00 0.00 C ATOM 0 HA PRO A 23 5.030 7.038 -13.985 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.188 8.980 -13.278 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.660 8.655 -14.934 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.119 8.009 -13.571 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.454 8.085 -15.289 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.186 5.714 -13.697 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.636 5.795 -15.389 1.00 0.00 H new ATOM 271 N PRO A 24 5.011 7.936 -11.557 1.00 0.00 N ATOM 272 CA PRO A 24 5.281 8.019 -10.132 1.00 0.00 C ATOM 273 C PRO A 24 4.072 8.576 -9.377 1.00 0.00 C ATOM 274 O PRO A 24 3.456 9.546 -9.814 1.00 0.00 O ATOM 275 CB PRO A 24 6.513 8.902 -10.015 1.00 0.00 C ATOM 276 CG PRO A 24 6.611 9.656 -11.331 1.00 0.00 C ATOM 277 CD PRO A 24 5.682 8.981 -12.326 1.00 0.00 C ATOM 0 HA PRO A 24 5.463 7.044 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.421 9.591 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.407 8.304 -9.840 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.330 10.700 -11.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.637 9.648 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.965 9.689 -12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.238 8.561 -13.164 1.00 0.00 H new ATOM 285 N LYS A 25 3.770 7.938 -8.256 1.00 0.00 N ATOM 286 CA LYS A 25 2.646 8.357 -7.436 1.00 0.00 C ATOM 287 C LYS A 25 3.110 8.520 -5.987 1.00 0.00 C ATOM 288 O LYS A 25 4.306 8.469 -5.705 1.00 0.00 O ATOM 289 CB LYS A 25 1.472 7.390 -7.600 1.00 0.00 C ATOM 290 CG LYS A 25 1.963 5.944 -7.704 1.00 0.00 C ATOM 291 CD LYS A 25 0.880 5.039 -8.293 1.00 0.00 C ATOM 292 CE LYS A 25 1.393 3.606 -8.457 1.00 0.00 C ATOM 293 NZ LYS A 25 2.422 3.543 -9.519 1.00 0.00 N ATOM 0 H LYS A 25 4.284 7.134 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 25 2.277 9.328 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.795 7.488 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.904 7.650 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.855 5.903 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.248 5.581 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.004 5.044 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.562 5.428 -9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.812 3.253 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.564 2.943 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.551 2.556 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.117 4.115 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.322 3.914 -9.153 1.00 0.00 H new ATOM 307 N HIS A 26 2.139 8.713 -5.106 1.00 0.00 N ATOM 308 CA HIS A 26 2.433 8.884 -3.694 1.00 0.00 C ATOM 309 C HIS A 26 2.960 7.569 -3.116 1.00 0.00 C ATOM 310 O HIS A 26 2.467 6.495 -3.458 1.00 0.00 O ATOM 311 CB HIS A 26 1.209 9.412 -2.944 1.00 0.00 C ATOM 312 CG HIS A 26 1.501 9.869 -1.534 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.583 8.995 -0.465 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.731 11.116 -1.031 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.850 9.695 0.628 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.941 11.009 0.275 1.00 0.00 N ATOM 0 H HIS A 26 1.148 8.755 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 26 3.214 9.634 -3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.784 10.245 -3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.450 8.630 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.741 12.034 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.974 9.295 1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.138 11.782 0.910 1.00 0.00 H new ATOM 324 N PRO A 27 3.982 7.699 -2.228 1.00 0.00 N ATOM 325 CA PRO A 27 4.581 6.534 -1.601 1.00 0.00 C ATOM 326 C PRO A 27 3.665 5.964 -0.515 1.00 0.00 C ATOM 327 O PRO A 27 3.610 4.751 -0.319 1.00 0.00 O ATOM 328 CB PRO A 27 5.914 7.022 -1.057 1.00 0.00 C ATOM 329 CG PRO A 27 5.808 8.536 -0.990 1.00 0.00 C ATOM 330 CD PRO A 27 4.592 8.955 -1.800 1.00 0.00 C ATOM 0 HA PRO A 27 4.728 5.710 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.111 6.600 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.736 6.716 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.710 8.866 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.710 9.000 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.901 9.547 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.877 9.568 -2.655 1.00 0.00 H new ATOM 338 N GLY A 28 2.969 6.866 0.160 1.00 0.00 N ATOM 339 CA GLY A 28 2.058 6.469 1.220 1.00 0.00 C ATOM 340 C GLY A 28 1.089 5.389 0.734 1.00 0.00 C ATOM 341 O GLY A 28 0.608 4.580 1.526 1.00 0.00 O ATOM 0 H GLY A 28 3.017 7.871 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.626 6.096 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.497 7.337 1.566 1.00 0.00 H new ATOM 345 N VAL A 29 0.831 5.412 -0.565 1.00 0.00 N ATOM 346 CA VAL A 29 -0.072 4.446 -1.166 1.00 0.00 C ATOM 347 C VAL A 29 0.708 3.179 -1.524 1.00 0.00 C ATOM 348 O VAL A 29 0.253 2.069 -1.252 1.00 0.00 O ATOM 349 CB VAL A 29 -0.782 5.071 -2.369 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.823 4.111 -2.950 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.419 6.410 -1.995 1.00 0.00 C ATOM 0 H VAL A 29 1.232 6.085 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.850 4.160 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.034 5.260 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.313 4.579 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.332 3.193 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.567 3.876 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.917 6.833 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.149 6.256 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.646 7.097 -1.650 1.00 0.00 H new ATOM 361 N LEU A 30 1.869 3.388 -2.127 1.00 0.00 N ATOM 362 CA LEU A 30 2.716 2.277 -2.525 1.00 0.00 C ATOM 363 C LEU A 30 3.194 1.533 -1.276 1.00 0.00 C ATOM 364 O LEU A 30 3.456 0.333 -1.326 1.00 0.00 O ATOM 365 CB LEU A 30 3.854 2.765 -3.423 1.00 0.00 C ATOM 366 CG LEU A 30 3.434 3.475 -4.712 1.00 0.00 C ATOM 367 CD1 LEU A 30 3.829 2.656 -5.942 1.00 0.00 C ATOM 368 CD2 LEU A 30 1.939 3.801 -4.696 1.00 0.00 C ATOM 0 H LEU A 30 2.243 4.311 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 30 2.151 1.564 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.481 3.444 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.473 1.908 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 30 3.969 4.423 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.519 3.183 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.910 2.518 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.340 1.683 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.667 4.305 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.366 2.878 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.718 4.452 -3.850 1.00 0.00 H new ATOM 380 N LYS A 31 3.294 2.278 -0.185 1.00 0.00 N ATOM 381 CA LYS A 31 3.736 1.705 1.075 1.00 0.00 C ATOM 382 C LYS A 31 2.932 0.435 1.363 1.00 0.00 C ATOM 383 O LYS A 31 3.398 -0.450 2.078 1.00 0.00 O ATOM 384 CB LYS A 31 3.661 2.746 2.193 1.00 0.00 C ATOM 385 CG LYS A 31 4.843 2.604 3.155 1.00 0.00 C ATOM 386 CD LYS A 31 5.054 3.889 3.958 1.00 0.00 C ATOM 387 CE LYS A 31 6.502 4.003 4.440 1.00 0.00 C ATOM 388 NZ LYS A 31 6.825 5.405 4.784 1.00 0.00 N ATOM 0 H LYS A 31 3.076 3.274 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 31 4.784 1.413 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.656 3.747 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.726 2.630 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.665 1.771 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.747 2.369 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.803 4.752 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.380 3.902 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.653 3.365 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.179 3.648 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.811 5.464 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.700 6.006 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.191 5.732 5.541 1.00 0.00 H new ATOM 402 N VAL A 32 1.738 0.387 0.790 1.00 0.00 N ATOM 403 CA VAL A 32 0.865 -0.760 0.976 1.00 0.00 C ATOM 404 C VAL A 32 1.132 -1.783 -0.130 1.00 0.00 C ATOM 405 O VAL A 32 1.246 -2.978 0.140 1.00 0.00 O ATOM 406 CB VAL A 32 -0.595 -0.303 1.027 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.704 1.124 1.569 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.254 -0.419 -0.348 1.00 0.00 C ATOM 0 H VAL A 32 1.355 1.123 0.197 1.00 0.00 H new ATOM 0 HA VAL A 32 1.073 -1.248 1.928 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.129 -0.963 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.751 1.424 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.290 1.163 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.148 1.802 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.291 -0.088 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.717 0.205 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.224 -1.457 -0.679 1.00 0.00 H new ATOM 418 N GLU A 33 1.224 -1.278 -1.351 1.00 0.00 N ATOM 419 CA GLU A 33 1.476 -2.133 -2.498 1.00 0.00 C ATOM 420 C GLU A 33 2.719 -2.992 -2.257 1.00 0.00 C ATOM 421 O GLU A 33 2.758 -4.158 -2.647 1.00 0.00 O ATOM 422 CB GLU A 33 1.620 -1.307 -3.777 1.00 0.00 C ATOM 423 CG GLU A 33 0.360 -0.479 -4.040 1.00 0.00 C ATOM 424 CD GLU A 33 0.075 -0.376 -5.540 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.663 0.530 -6.168 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.724 -1.207 -6.024 1.00 0.00 O ATOM 0 H GLU A 33 1.128 -0.287 -1.571 1.00 0.00 H new ATOM 0 HA GLU A 33 0.620 -2.795 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.483 -0.646 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.808 -1.969 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.491 -0.935 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.482 0.519 -3.620 1.00 0.00 H new ATOM 433 N ALA A 34 3.706 -2.382 -1.616 1.00 0.00 N ATOM 434 CA ALA A 34 4.947 -3.076 -1.319 1.00 0.00 C ATOM 435 C ALA A 34 4.655 -4.260 -0.394 1.00 0.00 C ATOM 436 O ALA A 34 5.296 -5.305 -0.496 1.00 0.00 O ATOM 437 CB ALA A 34 5.948 -2.093 -0.709 1.00 0.00 C ATOM 0 H ALA A 34 3.671 -1.415 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 34 5.393 -3.472 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.879 -2.614 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.143 -1.287 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.536 -1.677 0.210 1.00 0.00 H new ATOM 443 N ILE A 35 3.688 -4.056 0.488 1.00 0.00 N ATOM 444 CA ILE A 35 3.304 -5.094 1.430 1.00 0.00 C ATOM 445 C ILE A 35 2.391 -6.101 0.728 1.00 0.00 C ATOM 446 O ILE A 35 2.628 -7.307 0.790 1.00 0.00 O ATOM 447 CB ILE A 35 2.686 -4.475 2.686 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.514 -3.285 3.175 1.00 0.00 C ATOM 449 CG2 ILE A 35 2.495 -5.529 3.779 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.731 -2.454 4.193 1.00 0.00 C ATOM 0 H ILE A 35 3.159 -3.188 0.570 1.00 0.00 H new ATOM 0 HA ILE A 35 4.182 -5.643 1.771 1.00 0.00 H new ATOM 0 HB ILE A 35 1.697 -4.095 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.439 -3.642 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.794 -2.659 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.054 -5.063 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.833 -6.315 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.461 -5.961 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.342 -1.615 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.818 -2.078 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.474 -3.076 5.050 1.00 0.00 H new ATOM 462 N LEU A 36 1.366 -5.570 0.077 1.00 0.00 N ATOM 463 CA LEU A 36 0.417 -6.408 -0.636 1.00 0.00 C ATOM 464 C LEU A 36 1.180 -7.437 -1.473 1.00 0.00 C ATOM 465 O LEU A 36 0.736 -8.575 -1.620 1.00 0.00 O ATOM 466 CB LEU A 36 -0.551 -5.547 -1.451 1.00 0.00 C ATOM 467 CG LEU A 36 -1.823 -5.100 -0.727 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.597 -4.078 -1.562 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.688 -6.303 -0.346 1.00 0.00 C ATOM 0 H LEU A 36 1.172 -4.570 0.029 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.203 -6.965 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.018 -4.659 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.840 -6.105 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.534 -4.606 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.497 -3.776 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.970 -3.204 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.876 -4.525 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.586 -5.958 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.972 -6.847 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.124 -6.962 0.314 1.00 0.00 H new ATOM 481 N GLU A 37 2.314 -7.000 -2.000 1.00 0.00 N ATOM 482 CA GLU A 37 3.142 -7.869 -2.819 1.00 0.00 C ATOM 483 C GLU A 37 3.290 -9.240 -2.157 1.00 0.00 C ATOM 484 O GLU A 37 3.163 -10.269 -2.817 1.00 0.00 O ATOM 485 CB GLU A 37 4.510 -7.235 -3.080 1.00 0.00 C ATOM 486 CG GLU A 37 4.811 -7.179 -4.579 1.00 0.00 C ATOM 487 CD GLU A 37 6.320 -7.197 -4.836 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.876 -8.316 -4.876 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.882 -6.091 -4.987 1.00 0.00 O ATOM 0 H GLU A 37 2.679 -6.056 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 37 2.651 -8.004 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.534 -6.228 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.284 -7.809 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.343 -8.027 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.376 -6.276 -5.008 1.00 0.00 H new ATOM 496 N LYS A 38 3.556 -9.209 -0.859 1.00 0.00 N ATOM 497 CA LYS A 38 3.723 -10.436 -0.100 1.00 0.00 C ATOM 498 C LYS A 38 2.401 -11.208 -0.089 1.00 0.00 C ATOM 499 O LYS A 38 2.377 -12.408 -0.357 1.00 0.00 O ATOM 500 CB LYS A 38 4.269 -10.133 1.297 1.00 0.00 C ATOM 501 CG LYS A 38 5.696 -9.585 1.221 1.00 0.00 C ATOM 502 CD LYS A 38 5.757 -8.142 1.724 1.00 0.00 C ATOM 503 CE LYS A 38 7.203 -7.706 1.966 1.00 0.00 C ATOM 504 NZ LYS A 38 7.721 -8.301 3.218 1.00 0.00 N ATOM 0 H LYS A 38 3.660 -8.353 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 38 4.465 -11.079 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.624 -9.409 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.256 -11.040 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.361 -10.210 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.052 -9.630 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.291 -7.479 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.187 -8.051 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.827 -8.012 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.256 -6.619 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.618 -7.843 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.029 -8.160 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.880 -9.319 3.079 1.00 0.00 H new ATOM 518 N VAL A 39 1.335 -10.486 0.224 1.00 0.00 N ATOM 519 CA VAL A 39 0.013 -11.088 0.273 1.00 0.00 C ATOM 520 C VAL A 39 -0.193 -11.958 -0.969 1.00 0.00 C ATOM 521 O VAL A 39 -0.804 -13.023 -0.890 1.00 0.00 O ATOM 522 CB VAL A 39 -1.052 -10.000 0.423 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.459 -10.592 0.325 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.870 -9.232 1.735 1.00 0.00 C ATOM 0 H VAL A 39 1.360 -9.491 0.446 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.079 -11.737 1.144 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.928 -9.295 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.197 -9.797 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.585 -11.072 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.599 -11.329 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.640 -8.464 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.954 -9.922 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.114 -8.762 1.748 1.00 0.00 H new ATOM 534 N GLN A 40 0.328 -11.473 -2.086 1.00 0.00 N ATOM 535 CA GLN A 40 0.209 -12.193 -3.342 1.00 0.00 C ATOM 536 C GLN A 40 0.767 -13.610 -3.196 1.00 0.00 C ATOM 537 O GLN A 40 0.287 -14.540 -3.842 1.00 0.00 O ATOM 538 CB GLN A 40 0.912 -11.441 -4.474 1.00 0.00 C ATOM 539 CG GLN A 40 0.373 -10.015 -4.602 1.00 0.00 C ATOM 540 CD GLN A 40 0.217 -9.618 -6.071 1.00 0.00 C ATOM 541 OE1 GLN A 40 0.103 -10.449 -6.957 1.00 0.00 O ATOM 542 NE2 GLN A 40 0.218 -8.304 -6.279 1.00 0.00 N ATOM 0 H GLN A 40 0.834 -10.589 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.848 -12.264 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.985 -11.412 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.768 -11.974 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.590 -9.940 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.049 -9.321 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.317 -7.663 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.119 -7.937 -7.226 1.00 0.00 H new ATOM 551 N GLY A 41 1.774 -13.731 -2.343 1.00 0.00 N ATOM 552 CA GLY A 41 2.403 -15.019 -2.104 1.00 0.00 C ATOM 553 C GLY A 41 1.494 -15.927 -1.274 1.00 0.00 C ATOM 554 O GLY A 41 1.592 -17.150 -1.354 1.00 0.00 O ATOM 0 H GLY A 41 2.170 -12.958 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.631 -15.499 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.351 -14.874 -1.585 1.00 0.00 H new ATOM 558 N LEU A 42 0.630 -15.293 -0.494 1.00 0.00 N ATOM 559 CA LEU A 42 -0.295 -16.028 0.351 1.00 0.00 C ATOM 560 C LEU A 42 -1.594 -16.277 -0.419 1.00 0.00 C ATOM 561 O LEU A 42 -2.294 -17.255 -0.162 1.00 0.00 O ATOM 562 CB LEU A 42 -0.499 -15.301 1.682 1.00 0.00 C ATOM 563 CG LEU A 42 0.773 -14.963 2.463 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.501 -16.235 2.902 1.00 0.00 C ATOM 565 CD2 LEU A 42 1.680 -14.032 1.656 1.00 0.00 C ATOM 0 H LEU A 42 0.552 -14.278 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 42 0.117 -17.004 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.040 -14.375 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.138 -15.916 2.315 1.00 0.00 H new ATOM 0 HG LEU A 42 0.487 -14.428 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.401 -15.967 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.846 -16.827 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.775 -16.819 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.577 -13.807 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.962 -14.518 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.148 -13.106 1.437 1.00 0.00 H new ATOM 577 N GLU A 43 -1.876 -15.375 -1.347 1.00 0.00 N ATOM 578 CA GLU A 43 -3.078 -15.484 -2.156 1.00 0.00 C ATOM 579 C GLU A 43 -2.999 -16.715 -3.062 1.00 0.00 C ATOM 580 O GLU A 43 -3.927 -17.520 -3.104 1.00 0.00 O ATOM 581 CB GLU A 43 -3.305 -14.213 -2.977 1.00 0.00 C ATOM 582 CG GLU A 43 -4.798 -13.952 -3.182 1.00 0.00 C ATOM 583 CD GLU A 43 -5.402 -14.961 -4.160 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.756 -16.064 -3.691 1.00 0.00 O ATOM 585 OE2 GLU A 43 -5.496 -14.607 -5.356 1.00 0.00 O ATOM 0 H GLU A 43 -1.293 -14.565 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.931 -15.602 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.850 -13.362 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.813 -14.308 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.316 -14.013 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.945 -12.940 -3.560 1.00 0.00 H new ATOM 592 N GLN A 44 -1.880 -16.821 -3.764 1.00 0.00 N ATOM 593 CA GLN A 44 -1.667 -17.940 -4.666 1.00 0.00 C ATOM 594 C GLN A 44 -1.468 -19.232 -3.872 1.00 0.00 C ATOM 595 O GLN A 44 -1.838 -20.311 -4.332 1.00 0.00 O ATOM 596 CB GLN A 44 -0.478 -17.678 -5.594 1.00 0.00 C ATOM 597 CG GLN A 44 -0.726 -16.447 -6.468 1.00 0.00 C ATOM 598 CD GLN A 44 -1.884 -16.690 -7.439 1.00 0.00 C ATOM 599 OE1 GLN A 44 -1.750 -17.358 -8.451 1.00 0.00 O ATOM 600 NE2 GLN A 44 -3.025 -16.110 -7.077 1.00 0.00 N ATOM 0 H GLN A 44 -1.112 -16.151 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.554 -18.053 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.425 -17.532 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.307 -18.549 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.950 -15.587 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.178 -16.205 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.069 -15.564 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.856 -16.211 -7.660 1.00 0.00 H new ATOM 609 N ALA A 45 -0.883 -19.080 -2.693 1.00 0.00 N ATOM 610 CA ALA A 45 -0.630 -20.222 -1.830 1.00 0.00 C ATOM 611 C ALA A 45 -1.963 -20.787 -1.336 1.00 0.00 C ATOM 612 O ALA A 45 -2.101 -21.996 -1.156 1.00 0.00 O ATOM 613 CB ALA A 45 0.286 -19.800 -0.680 1.00 0.00 C ATOM 0 H ALA A 45 -0.577 -18.184 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.120 -21.013 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.476 -20.656 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.230 -19.433 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.194 -19.009 -0.104 1.00 0.00 H new ATOM 619 N VAL A 46 -2.912 -19.886 -1.130 1.00 0.00 N ATOM 620 CA VAL A 46 -4.230 -20.279 -0.660 1.00 0.00 C ATOM 621 C VAL A 46 -4.964 -21.022 -1.778 1.00 0.00 C ATOM 622 O VAL A 46 -5.224 -22.219 -1.666 1.00 0.00 O ATOM 623 CB VAL A 46 -4.993 -19.053 -0.155 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.504 -19.289 -0.206 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.544 -18.672 1.257 1.00 0.00 C ATOM 0 H VAL A 46 -2.795 -18.884 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.146 -20.963 0.185 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.762 -18.218 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.023 -18.403 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.806 -19.490 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.760 -20.143 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.102 -17.798 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.731 -19.504 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.479 -18.442 1.250 1.00 0.00 H new ATOM 635 N ASP A 47 -5.278 -20.281 -2.831 1.00 0.00 N ATOM 636 CA ASP A 47 -5.977 -20.854 -3.968 1.00 0.00 C ATOM 637 C ASP A 47 -5.359 -22.212 -4.310 1.00 0.00 C ATOM 638 O ASP A 47 -6.032 -23.084 -4.856 1.00 0.00 O ATOM 639 CB ASP A 47 -5.855 -19.955 -5.200 1.00 0.00 C ATOM 640 CG ASP A 47 -7.053 -19.996 -6.151 1.00 0.00 C ATOM 641 OD1 ASP A 47 -8.104 -19.440 -5.765 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.890 -20.583 -7.243 1.00 0.00 O ATOM 0 H ASP A 47 -5.061 -19.288 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.028 -20.957 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.709 -18.927 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.961 -20.242 -5.753 1.00 0.00 H new ATOM 647 N SER A 48 -4.084 -22.346 -3.975 1.00 0.00 N ATOM 648 CA SER A 48 -3.368 -23.582 -4.240 1.00 0.00 C ATOM 649 C SER A 48 -2.837 -24.171 -2.931 1.00 0.00 C ATOM 650 O SER A 48 -1.684 -24.594 -2.859 1.00 0.00 O ATOM 651 CB SER A 48 -2.218 -23.353 -5.224 1.00 0.00 C ATOM 652 OG SER A 48 -1.481 -24.547 -5.471 1.00 0.00 O ATOM 0 H SER A 48 -3.529 -21.620 -3.523 1.00 0.00 H new ATOM 0 HA SER A 48 -4.063 -24.289 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.616 -22.972 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.549 -22.589 -4.828 1.00 0.00 H new ATOM 0 HG SER A 48 -1.301 -25.002 -4.622 1.00 0.00 H new ATOM 658 N PHE A 49 -3.703 -24.178 -1.929 1.00 0.00 N ATOM 659 CA PHE A 49 -3.336 -24.707 -0.626 1.00 0.00 C ATOM 660 C PHE A 49 -3.917 -26.107 -0.419 1.00 0.00 C ATOM 661 O PHE A 49 -4.718 -26.576 -1.227 1.00 0.00 O ATOM 662 CB PHE A 49 -3.926 -23.763 0.423 1.00 0.00 C ATOM 663 CG PHE A 49 -3.994 -24.360 1.830 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.926 -24.257 2.665 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.123 -24.994 2.245 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.990 -24.811 3.971 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.187 -25.549 3.551 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.119 -25.446 4.386 1.00 0.00 C ATOM 0 H PHE A 49 -4.658 -23.826 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.251 -24.777 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.328 -22.852 0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.930 -23.474 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.029 -23.754 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.971 -25.076 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.142 -24.728 4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.084 -26.053 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.167 -25.868 5.379 1.00 0.00 H new ATOM 678 N GLU A 50 -3.492 -26.735 0.667 1.00 0.00 N ATOM 679 CA GLU A 50 -3.960 -28.072 0.990 1.00 0.00 C ATOM 680 C GLU A 50 -3.817 -28.337 2.490 1.00 0.00 C ATOM 681 O GLU A 50 -2.814 -27.964 3.097 1.00 0.00 O ATOM 682 CB GLU A 50 -3.212 -29.128 0.173 1.00 0.00 C ATOM 683 CG GLU A 50 -4.061 -29.614 -1.003 1.00 0.00 C ATOM 684 CD GLU A 50 -3.197 -30.323 -2.048 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.212 -29.694 -2.491 1.00 0.00 O ATOM 686 OE2 GLU A 50 -3.540 -31.478 -2.379 1.00 0.00 O ATOM 0 H GLU A 50 -2.828 -26.343 1.335 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.016 -28.139 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.276 -28.710 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.953 -29.972 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.833 -30.294 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.571 -28.767 -1.462 1.00 0.00 H new ATOM 693 N GLY A 51 -4.834 -28.978 3.045 1.00 0.00 N ATOM 694 CA GLY A 51 -4.834 -29.297 4.463 1.00 0.00 C ATOM 695 C GLY A 51 -6.091 -28.757 5.147 1.00 0.00 C ATOM 696 O GLY A 51 -7.122 -28.571 4.502 1.00 0.00 O ATOM 0 H GLY A 51 -5.664 -29.286 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.779 -30.377 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.948 -28.872 4.935 1.00 0.00 H new ATOM 700 N LYS A 52 -5.965 -28.520 6.444 1.00 0.00 N ATOM 701 CA LYS A 52 -7.079 -28.004 7.222 1.00 0.00 C ATOM 702 C LYS A 52 -6.607 -26.805 8.047 1.00 0.00 C ATOM 703 O LYS A 52 -5.627 -26.151 7.694 1.00 0.00 O ATOM 704 CB LYS A 52 -7.707 -29.119 8.062 1.00 0.00 C ATOM 705 CG LYS A 52 -7.653 -30.458 7.324 1.00 0.00 C ATOM 706 CD LYS A 52 -8.537 -30.432 6.076 1.00 0.00 C ATOM 707 CE LYS A 52 -9.723 -31.387 6.225 1.00 0.00 C ATOM 708 NZ LYS A 52 -9.267 -32.794 6.167 1.00 0.00 N ATOM 0 H LYS A 52 -5.109 -28.676 6.976 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.871 -27.647 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.181 -29.203 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.743 -28.867 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.624 -30.680 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.980 -31.257 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.901 -29.419 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.948 -30.711 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.230 -31.202 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.449 -31.201 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.088 -33.421 6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.619 -32.916 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.773 -33.035 7.050 1.00 0.00 H new ATOM 722 N LYS A 53 -7.328 -26.551 9.129 1.00 0.00 N ATOM 723 CA LYS A 53 -6.995 -25.442 10.007 1.00 0.00 C ATOM 724 C LYS A 53 -5.989 -25.913 11.059 1.00 0.00 C ATOM 725 O LYS A 53 -5.738 -25.214 12.039 1.00 0.00 O ATOM 726 CB LYS A 53 -8.266 -24.830 10.602 1.00 0.00 C ATOM 727 CG LYS A 53 -9.057 -24.066 9.537 1.00 0.00 C ATOM 728 CD LYS A 53 -10.301 -23.414 10.143 1.00 0.00 C ATOM 729 CE LYS A 53 -11.496 -23.526 9.193 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.517 -24.441 9.751 1.00 0.00 N ATOM 0 H LYS A 53 -8.142 -27.094 9.418 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.516 -24.641 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.888 -25.617 11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.002 -24.156 11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.424 -23.302 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.351 -24.747 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.541 -23.892 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.099 -22.364 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.932 -22.541 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.163 -23.892 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.030 -24.904 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.052 -25.163 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.187 -23.900 10.334 1.00 0.00 H new ATOM 744 N THR A 54 -5.440 -27.094 10.819 1.00 0.00 N ATOM 745 CA THR A 54 -4.467 -27.667 11.733 1.00 0.00 C ATOM 746 C THR A 54 -3.096 -27.764 11.060 1.00 0.00 C ATOM 747 O THR A 54 -2.087 -27.363 11.638 1.00 0.00 O ATOM 748 CB THR A 54 -5.005 -29.016 12.213 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.882 -29.864 11.075 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.509 -28.981 12.490 1.00 0.00 C ATOM 0 H THR A 54 -5.651 -27.670 10.004 1.00 0.00 H new ATOM 0 HA THR A 54 -4.322 -27.030 12.606 1.00 0.00 H new ATOM 0 HB THR A 54 -4.476 -29.316 13.117 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.207 -30.761 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.840 -29.963 12.828 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.720 -28.242 13.263 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.041 -28.713 11.577 1.00 0.00 H new ATOM 758 N ASP A 55 -3.104 -28.300 9.848 1.00 0.00 N ATOM 759 CA ASP A 55 -1.874 -28.456 9.091 1.00 0.00 C ATOM 760 C ASP A 55 -1.014 -27.201 9.259 1.00 0.00 C ATOM 761 O ASP A 55 -1.503 -26.084 9.101 1.00 0.00 O ATOM 762 CB ASP A 55 -2.165 -28.633 7.599 1.00 0.00 C ATOM 763 CG ASP A 55 -2.920 -29.913 7.235 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.772 -30.321 8.053 1.00 0.00 O ATOM 765 OD2 ASP A 55 -2.628 -30.454 6.147 1.00 0.00 O ATOM 0 H ASP A 55 -3.943 -28.632 9.372 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.357 -29.339 9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.744 -27.777 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.220 -28.619 7.056 1.00 0.00 H new ATOM 770 N LYS A 56 0.251 -27.429 9.578 1.00 0.00 N ATOM 771 CA LYS A 56 1.184 -26.331 9.770 1.00 0.00 C ATOM 772 C LYS A 56 1.063 -25.354 8.598 1.00 0.00 C ATOM 773 O LYS A 56 1.130 -24.141 8.787 1.00 0.00 O ATOM 774 CB LYS A 56 2.602 -26.863 9.983 1.00 0.00 C ATOM 775 CG LYS A 56 3.397 -25.948 10.917 1.00 0.00 C ATOM 776 CD LYS A 56 4.033 -24.792 10.142 1.00 0.00 C ATOM 777 CE LYS A 56 4.391 -23.636 11.078 1.00 0.00 C ATOM 778 NZ LYS A 56 5.777 -23.783 11.576 1.00 0.00 N ATOM 0 H LYS A 56 0.652 -28.358 9.708 1.00 0.00 H new ATOM 0 HA LYS A 56 0.938 -25.776 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.558 -27.868 10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.113 -26.941 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.739 -25.553 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.174 -26.523 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.930 -25.142 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.344 -24.442 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.286 -22.688 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.697 -23.612 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.004 -22.990 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.866 -24.679 12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.437 -23.783 10.772 1.00 0.00 H new ATOM 792 N LYS A 57 0.887 -25.921 7.413 1.00 0.00 N ATOM 793 CA LYS A 57 0.756 -25.116 6.211 1.00 0.00 C ATOM 794 C LYS A 57 -0.199 -23.952 6.483 1.00 0.00 C ATOM 795 O LYS A 57 0.179 -22.789 6.348 1.00 0.00 O ATOM 796 CB LYS A 57 0.341 -25.988 5.025 1.00 0.00 C ATOM 797 CG LYS A 57 0.430 -25.207 3.712 1.00 0.00 C ATOM 798 CD LYS A 57 1.022 -26.073 2.598 1.00 0.00 C ATOM 799 CE LYS A 57 -0.081 -26.795 1.821 1.00 0.00 C ATOM 800 NZ LYS A 57 0.457 -27.363 0.565 1.00 0.00 N ATOM 0 H LYS A 57 0.832 -26.928 7.260 1.00 0.00 H new ATOM 0 HA LYS A 57 1.717 -24.682 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.983 -26.867 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.678 -26.346 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.563 -24.863 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.046 -24.319 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.603 -25.450 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.708 -26.804 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.505 -27.590 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.890 -26.100 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.304 -27.849 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.841 -26.598 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.213 -28.042 0.787 1.00 0.00 H new ATOM 814 N TYR A 58 -1.419 -24.306 6.861 1.00 0.00 N ATOM 815 CA TYR A 58 -2.431 -23.305 7.153 1.00 0.00 C ATOM 816 C TYR A 58 -1.877 -22.217 8.075 1.00 0.00 C ATOM 817 O TYR A 58 -2.065 -21.028 7.821 1.00 0.00 O ATOM 818 CB TYR A 58 -3.558 -24.045 7.877 1.00 0.00 C ATOM 819 CG TYR A 58 -4.699 -23.138 8.342 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.470 -22.467 7.415 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.957 -22.990 9.690 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.544 -21.613 7.854 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.031 -22.137 10.129 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.771 -21.490 9.189 1.00 0.00 C ATOM 825 OH TYR A 58 -7.785 -20.684 9.603 1.00 0.00 O ATOM 0 H TYR A 58 -1.729 -25.271 6.972 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.769 -22.822 6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.962 -24.809 7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.143 -24.562 8.742 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.268 -22.582 6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.353 -23.514 10.416 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.155 -21.082 7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.244 -22.014 11.181 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.831 -20.693 10.582 1.00 0.00 H new ATOM 835 N LEU A 59 -1.205 -22.663 9.126 1.00 0.00 N ATOM 836 CA LEU A 59 -0.622 -21.742 10.087 1.00 0.00 C ATOM 837 C LEU A 59 0.379 -20.832 9.373 1.00 0.00 C ATOM 838 O LEU A 59 0.304 -19.610 9.488 1.00 0.00 O ATOM 839 CB LEU A 59 -0.023 -22.509 11.268 1.00 0.00 C ATOM 840 CG LEU A 59 -1.022 -23.224 12.180 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.732 -24.355 11.435 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.341 -23.718 13.458 1.00 0.00 C ATOM 0 H LEU A 59 -1.051 -23.650 9.333 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.391 -21.097 10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.676 -23.249 10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.556 -21.811 11.873 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.786 -22.506 12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.436 -24.847 12.106 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.270 -23.946 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.996 -25.080 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.073 -24.222 14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.457 -24.415 13.199 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.079 -22.869 13.998 1.00 0.00 H new ATOM 854 N MET A 60 1.293 -21.464 8.651 1.00 0.00 N ATOM 855 CA MET A 60 2.308 -20.726 7.918 1.00 0.00 C ATOM 856 C MET A 60 1.691 -19.548 7.162 1.00 0.00 C ATOM 857 O MET A 60 1.984 -18.391 7.463 1.00 0.00 O ATOM 858 CB MET A 60 3.003 -21.662 6.926 1.00 0.00 C ATOM 859 CG MET A 60 4.379 -22.084 7.443 1.00 0.00 C ATOM 860 SD MET A 60 5.130 -23.239 6.308 1.00 0.00 S ATOM 861 CE MET A 60 5.183 -22.235 4.834 1.00 0.00 C ATOM 0 H MET A 60 1.352 -22.478 8.558 1.00 0.00 H new ATOM 0 HA MET A 60 3.033 -20.335 8.632 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.386 -22.545 6.761 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.110 -21.163 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.017 -21.208 7.559 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.282 -22.540 8.428 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.920 -22.643 4.142 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.202 -22.233 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.460 -21.215 5.099 1.00 0.00 H new ATOM 871 N ILE A 61 0.849 -19.882 6.196 1.00 0.00 N ATOM 872 CA ILE A 61 0.188 -18.866 5.395 1.00 0.00 C ATOM 873 C ILE A 61 -0.417 -17.807 6.319 1.00 0.00 C ATOM 874 O ILE A 61 -0.149 -16.617 6.164 1.00 0.00 O ATOM 875 CB ILE A 61 -0.828 -19.507 4.447 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.131 -20.408 3.425 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.698 -18.443 3.774 1.00 0.00 C ATOM 878 CD1 ILE A 61 -1.081 -21.493 2.913 1.00 0.00 C ATOM 0 H ILE A 61 0.609 -20.842 5.950 1.00 0.00 H new ATOM 0 HA ILE A 61 0.909 -18.357 4.756 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.492 -20.140 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.225 -19.807 2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.744 -20.871 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.411 -18.926 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.238 -17.880 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.066 -17.765 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.561 -22.119 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.416 -22.107 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.943 -21.026 2.437 1.00 0.00 H new ATOM 890 N GLU A 62 -1.222 -18.279 7.260 1.00 0.00 N ATOM 891 CA GLU A 62 -1.867 -17.388 8.209 1.00 0.00 C ATOM 892 C GLU A 62 -0.886 -16.310 8.676 1.00 0.00 C ATOM 893 O GLU A 62 -1.062 -15.132 8.370 1.00 0.00 O ATOM 894 CB GLU A 62 -2.430 -18.169 9.398 1.00 0.00 C ATOM 895 CG GLU A 62 -3.499 -17.355 10.131 1.00 0.00 C ATOM 896 CD GLU A 62 -2.879 -16.152 10.845 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.433 -16.344 11.997 1.00 0.00 O ATOM 898 OE2 GLU A 62 -2.864 -15.069 10.223 1.00 0.00 O ATOM 0 H GLU A 62 -1.442 -19.267 7.385 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.703 -16.899 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.858 -19.109 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.624 -18.421 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.251 -17.013 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.010 -17.989 10.856 1.00 0.00 H new ATOM 905 N GLU A 63 0.125 -16.752 9.409 1.00 0.00 N ATOM 906 CA GLU A 63 1.134 -15.840 9.921 1.00 0.00 C ATOM 907 C GLU A 63 1.445 -14.758 8.885 1.00 0.00 C ATOM 908 O GLU A 63 1.199 -13.576 9.123 1.00 0.00 O ATOM 909 CB GLU A 63 2.402 -16.595 10.323 1.00 0.00 C ATOM 910 CG GLU A 63 2.797 -16.273 11.766 1.00 0.00 C ATOM 911 CD GLU A 63 4.318 -16.261 11.928 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.996 -16.023 10.906 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.769 -16.490 13.072 1.00 0.00 O ATOM 0 H GLU A 63 0.267 -17.730 9.661 1.00 0.00 H new ATOM 0 HA GLU A 63 0.740 -15.357 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.240 -17.668 10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.217 -16.328 9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.390 -15.303 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.362 -17.011 12.439 1.00 0.00 H new ATOM 920 N TYR A 64 1.982 -15.200 7.757 1.00 0.00 N ATOM 921 CA TYR A 64 2.329 -14.284 6.684 1.00 0.00 C ATOM 922 C TYR A 64 1.182 -13.314 6.398 1.00 0.00 C ATOM 923 O TYR A 64 1.330 -12.104 6.565 1.00 0.00 O ATOM 924 CB TYR A 64 2.567 -15.154 5.448 1.00 0.00 C ATOM 925 CG TYR A 64 3.883 -15.933 5.478 1.00 0.00 C ATOM 926 CD1 TYR A 64 5.082 -15.259 5.588 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.871 -17.311 5.396 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.321 -15.993 5.617 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.109 -18.045 5.425 1.00 0.00 C ATOM 930 CZ TYR A 64 6.273 -17.350 5.534 1.00 0.00 C ATOM 931 OH TYR A 64 7.443 -18.043 5.562 1.00 0.00 O ATOM 0 H TYR A 64 2.185 -16.181 7.563 1.00 0.00 H new ATOM 0 HA TYR A 64 3.203 -13.691 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.742 -15.859 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.553 -14.520 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.091 -14.181 5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.933 -17.839 5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.266 -15.478 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.113 -19.123 5.362 1.00 0.00 H new ATOM 0 HH TYR A 64 7.256 -19.003 5.495 1.00 0.00 H new ATOM 941 N LEU A 65 0.063 -13.881 5.971 1.00 0.00 N ATOM 942 CA LEU A 65 -1.110 -13.081 5.660 1.00 0.00 C ATOM 943 C LEU A 65 -1.217 -11.930 6.662 1.00 0.00 C ATOM 944 O LEU A 65 -1.229 -10.763 6.273 1.00 0.00 O ATOM 945 CB LEU A 65 -2.359 -13.962 5.599 1.00 0.00 C ATOM 946 CG LEU A 65 -2.500 -14.842 4.356 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.577 -15.909 4.558 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.762 -13.992 3.110 1.00 0.00 C ATOM 0 H LEU A 65 -0.056 -14.885 5.833 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.015 -12.635 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.368 -14.606 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.236 -13.319 5.666 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.556 -15.364 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.656 -16.521 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.309 -16.541 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.535 -15.427 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.858 -14.642 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.683 -13.425 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.931 -13.303 2.958 1.00 0.00 H new ATOM 960 N THR A 66 -1.293 -12.298 7.932 1.00 0.00 N ATOM 961 CA THR A 66 -1.399 -11.311 8.993 1.00 0.00 C ATOM 962 C THR A 66 -0.170 -10.399 8.998 1.00 0.00 C ATOM 963 O THR A 66 -0.299 -9.177 9.041 1.00 0.00 O ATOM 964 CB THR A 66 -1.608 -12.056 10.313 1.00 0.00 C ATOM 965 OG1 THR A 66 -2.989 -12.408 10.297 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.471 -11.139 11.530 1.00 0.00 C ATOM 0 H THR A 66 -1.283 -13.267 8.251 1.00 0.00 H new ATOM 0 HA THR A 66 -2.253 -10.652 8.836 1.00 0.00 H new ATOM 0 HB THR A 66 -0.887 -12.870 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.078 -13.384 10.267 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.628 -11.717 12.441 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.473 -10.702 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.214 -10.344 11.472 1.00 0.00 H new ATOM 974 N LYS A 67 0.995 -11.030 8.953 1.00 0.00 N ATOM 975 CA LYS A 67 2.246 -10.291 8.951 1.00 0.00 C ATOM 976 C LYS A 67 2.115 -9.076 8.030 1.00 0.00 C ATOM 977 O LYS A 67 2.445 -7.958 8.421 1.00 0.00 O ATOM 978 CB LYS A 67 3.413 -11.213 8.591 1.00 0.00 C ATOM 979 CG LYS A 67 4.015 -11.850 9.845 1.00 0.00 C ATOM 980 CD LYS A 67 4.733 -13.158 9.505 1.00 0.00 C ATOM 981 CE LYS A 67 6.038 -13.288 10.292 1.00 0.00 C ATOM 982 NZ LYS A 67 7.151 -13.666 9.393 1.00 0.00 N ATOM 0 H LYS A 67 1.098 -12.044 8.918 1.00 0.00 H new ATOM 0 HA LYS A 67 2.466 -9.912 9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.069 -11.993 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.180 -10.646 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.716 -11.156 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.227 -12.042 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.083 -14.003 9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.944 -13.194 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.267 -12.344 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.924 -14.038 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.029 -13.750 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.938 -14.578 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.270 -12.936 8.662 1.00 0.00 H new ATOM 996 N GLU A 68 1.633 -9.338 6.824 1.00 0.00 N ATOM 997 CA GLU A 68 1.454 -8.280 5.844 1.00 0.00 C ATOM 998 C GLU A 68 0.456 -7.242 6.360 1.00 0.00 C ATOM 999 O GLU A 68 0.648 -6.042 6.169 1.00 0.00 O ATOM 1000 CB GLU A 68 1.006 -8.851 4.497 1.00 0.00 C ATOM 1001 CG GLU A 68 1.869 -10.047 4.093 1.00 0.00 C ATOM 1002 CD GLU A 68 3.334 -9.819 4.472 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.808 -8.684 4.248 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.947 -10.784 4.978 1.00 0.00 O ATOM 0 H GLU A 68 1.361 -10.267 6.503 1.00 0.00 H new ATOM 0 HA GLU A 68 2.414 -7.787 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.039 -9.156 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.069 -8.078 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.499 -10.948 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.789 -10.211 3.018 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.589 -7.741 7.003 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.618 -6.872 7.547 1.00 0.00 C ATOM 1013 C LEU A 69 -0.976 -5.869 8.508 1.00 0.00 C ATOM 1014 O LEU A 69 -1.198 -4.664 8.393 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.739 -7.699 8.180 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.614 -8.496 7.211 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.374 -9.604 7.943 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.554 -7.572 6.434 1.00 0.00 C ATOM 0 H LEU A 69 -0.745 -8.737 7.160 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.090 -6.296 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.293 -8.394 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.381 -7.028 8.750 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.964 -8.980 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.988 -10.155 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.663 -10.284 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.013 -9.163 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.165 -8.164 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.201 -7.040 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.967 -6.852 5.863 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.194 -6.402 9.434 1.00 0.00 N ATOM 1031 CA LEU A 70 0.482 -5.569 10.414 1.00 0.00 C ATOM 1032 C LEU A 70 1.297 -4.496 9.690 1.00 0.00 C ATOM 1033 O LEU A 70 1.417 -3.371 10.172 1.00 0.00 O ATOM 1034 CB LEU A 70 1.310 -6.430 11.370 1.00 0.00 C ATOM 1035 CG LEU A 70 0.546 -7.068 12.532 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.015 -5.999 13.472 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.545 -8.010 12.019 1.00 0.00 C ATOM 0 H LEU A 70 -0.013 -7.402 9.527 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.245 -5.050 11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.784 -7.224 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.110 -5.814 11.782 1.00 0.00 H new ATOM 0 HG LEU A 70 1.246 -7.671 13.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.553 -6.479 14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.804 -5.405 13.877 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.696 -5.351 12.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.073 -8.450 12.865 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.249 -7.450 11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.091 -8.802 11.423 1.00 0.00 H new ATOM 1049 N ALA A 71 1.836 -4.882 8.543 1.00 0.00 N ATOM 1050 CA ALA A 71 2.637 -3.967 7.747 1.00 0.00 C ATOM 1051 C ALA A 71 1.722 -2.920 7.108 1.00 0.00 C ATOM 1052 O ALA A 71 2.167 -1.822 6.777 1.00 0.00 O ATOM 1053 CB ALA A 71 3.433 -4.758 6.707 1.00 0.00 C ATOM 0 H ALA A 71 1.734 -5.816 8.146 1.00 0.00 H new ATOM 0 HA ALA A 71 3.355 -3.439 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.034 -4.072 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.088 -5.468 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.745 -5.298 6.057 1.00 0.00 H new ATOM 1059 N LEU A 72 0.461 -3.296 6.954 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.519 -2.403 6.361 1.00 0.00 C ATOM 1061 C LEU A 72 -1.010 -1.415 7.421 1.00 0.00 C ATOM 1062 O LEU A 72 -1.409 -0.298 7.096 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.643 -3.204 5.700 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.283 -3.909 4.390 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.158 -5.145 4.175 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.359 -2.940 3.208 1.00 0.00 C ATOM 0 H LEU A 72 0.096 -4.207 7.230 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.065 -1.816 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.993 -3.954 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.479 -2.531 5.510 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.251 -4.253 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.882 -5.628 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.011 -5.843 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.206 -4.847 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.099 -3.466 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.372 -2.545 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.661 -2.118 3.366 1.00 0.00 H new ATOM 1078 N ASP A 73 -0.964 -1.862 8.667 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.398 -1.031 9.777 1.00 0.00 C ATOM 1080 C ASP A 73 -0.323 0.015 10.077 1.00 0.00 C ATOM 1081 O ASP A 73 -0.639 1.158 10.404 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.610 -1.867 11.041 1.00 0.00 C ATOM 1083 CG ASP A 73 -2.852 -1.502 11.857 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -2.989 -0.302 12.177 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.637 -2.432 12.142 1.00 0.00 O ATOM 0 H ASP A 73 -0.633 -2.789 8.933 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.339 -0.557 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.676 -2.917 10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.732 -1.764 11.678 1.00 0.00 H new ATOM 1090 N SER A 74 0.924 -0.413 9.954 1.00 0.00 N ATOM 1091 CA SER A 74 2.048 0.473 10.208 1.00 0.00 C ATOM 1092 C SER A 74 1.938 1.722 9.331 1.00 0.00 C ATOM 1093 O SER A 74 2.562 2.743 9.617 1.00 0.00 O ATOM 1094 CB SER A 74 3.379 -0.238 9.954 1.00 0.00 C ATOM 1095 OG SER A 74 4.481 0.482 10.498 1.00 0.00 O ATOM 0 H SER A 74 1.182 -1.362 9.682 1.00 0.00 H new ATOM 0 HA SER A 74 2.020 0.769 11.257 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.346 -1.236 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.523 -0.365 8.881 1.00 0.00 H new ATOM 0 HG SER A 74 5.312 -0.005 10.316 1.00 0.00 H new ATOM 1101 N VAL A 75 1.140 1.600 8.280 1.00 0.00 N ATOM 1102 CA VAL A 75 0.941 2.706 7.359 1.00 0.00 C ATOM 1103 C VAL A 75 -0.088 3.674 7.947 1.00 0.00 C ATOM 1104 O VAL A 75 -1.213 3.280 8.252 1.00 0.00 O ATOM 1105 CB VAL A 75 0.542 2.175 5.981 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.149 3.319 5.044 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.664 1.329 5.374 1.00 0.00 C ATOM 0 H VAL A 75 0.624 0.752 8.046 1.00 0.00 H new ATOM 0 HA VAL A 75 1.869 3.261 7.222 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.330 1.534 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.130 2.913 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.696 3.862 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.993 3.998 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.355 0.964 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.562 1.938 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.875 0.482 6.027 1.00 0.00 H new ATOM 1117 N ASP A 76 0.334 4.922 8.089 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.536 5.949 8.635 1.00 0.00 C ATOM 1119 C ASP A 76 -0.863 6.969 7.542 1.00 0.00 C ATOM 1120 O ASP A 76 -0.013 7.775 7.166 1.00 0.00 O ATOM 1121 CB ASP A 76 0.144 6.692 9.787 1.00 0.00 C ATOM 1122 CG ASP A 76 -0.738 7.715 10.506 1.00 0.00 C ATOM 1123 OD1 ASP A 76 -1.975 7.566 10.408 1.00 0.00 O ATOM 1124 OD2 ASP A 76 -0.155 8.621 11.139 1.00 0.00 O ATOM 0 H ASP A 76 1.268 5.245 7.835 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.440 5.464 9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.494 5.960 10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.026 7.203 9.400 1.00 0.00 H new ATOM 1129 N PRO A 77 -2.128 6.898 7.050 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.578 7.806 6.008 1.00 0.00 C ATOM 1131 C PRO A 77 -2.838 9.204 6.572 1.00 0.00 C ATOM 1132 O PRO A 77 -2.588 10.204 5.902 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.825 7.156 5.432 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.292 6.153 6.474 1.00 0.00 C ATOM 1135 CD PRO A 77 -3.162 5.957 7.471 1.00 0.00 C ATOM 0 HA PRO A 77 -1.829 7.958 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.596 7.900 5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.606 6.662 4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.188 6.516 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.553 5.206 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.493 6.162 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.794 4.931 7.455 1.00 0.00 H new ATOM 1143 N GLU A 78 -3.337 9.228 7.799 1.00 0.00 N ATOM 1144 CA GLU A 78 -3.633 10.487 8.462 1.00 0.00 C ATOM 1145 C GLU A 78 -4.961 11.053 7.954 1.00 0.00 C ATOM 1146 O GLU A 78 -5.892 11.255 8.733 1.00 0.00 O ATOM 1147 CB GLU A 78 -2.497 11.492 8.264 1.00 0.00 C ATOM 1148 CG GLU A 78 -1.134 10.823 8.455 1.00 0.00 C ATOM 1149 CD GLU A 78 -0.033 11.868 8.651 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.026 12.427 9.767 1.00 0.00 O ATOM 1151 OE2 GLU A 78 0.724 12.083 7.680 1.00 0.00 O ATOM 0 H GLU A 78 -3.544 8.396 8.352 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.725 10.300 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.558 11.923 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.606 12.313 8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.168 10.159 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.903 10.205 7.587 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.006 11.294 6.652 1.00 0.00 N ATOM 1159 CA GLY A 79 -6.204 11.834 6.032 1.00 0.00 C ATOM 1160 C GLY A 79 -5.954 12.177 4.562 1.00 0.00 C ATOM 1161 O GLY A 79 -6.450 13.185 4.063 1.00 0.00 O ATOM 0 H GLY A 79 -4.232 11.125 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.015 11.109 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.524 12.727 6.568 1.00 0.00 H new ATOM 1165 N ARG A 80 -5.183 11.318 3.910 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.861 11.518 2.508 1.00 0.00 C ATOM 1167 C ARG A 80 -5.946 10.902 1.621 1.00 0.00 C ATOM 1168 O ARG A 80 -6.058 11.243 0.444 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.510 10.890 2.158 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.356 11.793 2.599 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.518 12.238 1.398 1.00 0.00 C ATOM 1172 NE ARG A 80 -2.239 13.284 0.638 1.00 0.00 N ATOM 1173 CZ ARG A 80 -2.227 14.585 0.955 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -1.533 15.010 2.020 1.00 0.00 N ATOM 1175 NH2 ARG A 80 -2.911 15.463 0.208 1.00 0.00 N ATOM 0 H ARG A 80 -4.773 10.483 4.327 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.807 12.592 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.421 9.917 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.452 10.718 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.751 12.668 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.725 11.261 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.556 12.621 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.311 11.385 0.752 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.779 12.996 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.013 14.342 2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.524 16.001 2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.441 15.140 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.902 16.454 0.449 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.717 10.006 2.220 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.788 9.340 1.499 1.00 0.00 C ATOM 1191 C ALA A 81 -7.189 8.301 0.549 1.00 0.00 C ATOM 1192 O ALA A 81 -7.420 7.104 0.707 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.635 10.382 0.765 1.00 0.00 C ATOM 0 H ALA A 81 -6.621 9.726 3.196 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.446 8.813 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.439 9.882 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.062 11.078 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.009 10.929 0.060 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.431 8.798 -0.418 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.797 7.928 -1.394 1.00 0.00 C ATOM 1201 C ASP A 82 -5.074 6.793 -0.665 1.00 0.00 C ATOM 1202 O ASP A 82 -5.172 5.633 -1.063 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.763 8.691 -2.223 1.00 0.00 C ATOM 1204 CG ASP A 82 -5.198 9.023 -3.652 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -6.326 8.621 -4.010 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.392 9.671 -4.355 1.00 0.00 O ATOM 0 H ASP A 82 -6.242 9.792 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.573 7.540 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.520 9.620 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.847 8.102 -2.266 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.365 7.167 0.390 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.626 6.195 1.177 1.00 0.00 C ATOM 1213 C VAL A 83 -4.604 5.389 2.033 1.00 0.00 C ATOM 1214 O VAL A 83 -4.396 4.199 2.266 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.550 6.902 2.005 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.654 5.888 2.719 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.722 7.848 1.134 1.00 0.00 C ATOM 0 H VAL A 83 -4.287 8.130 0.718 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.107 5.491 0.526 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.051 7.500 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.898 6.416 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.259 5.273 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.165 5.251 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.965 8.338 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.236 7.280 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.375 8.601 0.693 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.651 6.068 2.478 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.662 5.430 3.303 1.00 0.00 C ATOM 1229 C ARG A 84 -7.354 4.310 2.523 1.00 0.00 C ATOM 1230 O ARG A 84 -7.640 3.249 3.075 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.711 6.441 3.770 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.115 7.423 4.780 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.216 8.212 5.493 1.00 0.00 C ATOM 1234 NE ARG A 84 -7.979 8.205 6.953 1.00 0.00 N ATOM 1235 CZ ARG A 84 -8.074 7.113 7.725 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -8.402 5.934 7.179 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -7.842 7.201 9.041 1.00 0.00 N ATOM 0 H ARG A 84 -5.821 7.055 2.282 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.162 5.013 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.101 6.988 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.552 5.915 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.519 6.879 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.442 8.111 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.237 9.238 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.190 7.774 5.272 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.727 9.086 7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.579 5.868 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.474 5.103 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.593 8.099 9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.914 6.370 9.628 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.604 4.585 1.251 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.257 3.615 0.390 1.00 0.00 C ATOM 1253 C GLN A 85 -7.342 2.411 0.158 1.00 0.00 C ATOM 1254 O GLN A 85 -7.685 1.287 0.522 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.672 4.252 -0.938 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.999 3.181 -1.981 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.382 3.416 -2.593 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -11.408 3.105 -2.011 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.352 3.981 -3.797 1.00 0.00 N ATOM 0 H GLN A 85 -7.366 5.466 0.796 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.163 3.268 0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.541 4.891 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.869 4.890 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.243 3.190 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.965 2.195 -1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.458 4.216 -4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.223 4.179 -4.289 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.196 2.686 -0.447 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.229 1.640 -0.732 1.00 0.00 C ATOM 1270 C ALA A 86 -5.100 0.725 0.488 1.00 0.00 C ATOM 1271 O ALA A 86 -5.087 -0.498 0.353 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.894 2.272 -1.130 1.00 0.00 C ATOM 0 H ALA A 86 -5.915 3.619 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.562 1.028 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.169 1.487 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.034 2.888 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.527 2.892 -0.312 1.00 0.00 H new ATOM 1278 N ARG A 87 -5.009 1.352 1.651 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.881 0.610 2.894 1.00 0.00 C ATOM 1280 C ARG A 87 -6.113 -0.270 3.115 1.00 0.00 C ATOM 1281 O ARG A 87 -6.000 -1.493 3.198 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.718 1.555 4.086 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.667 1.028 5.064 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.197 2.133 6.013 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.465 1.743 7.415 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.658 1.864 8.014 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.700 2.364 7.336 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -4.808 1.484 9.290 1.00 0.00 N ATOM 0 H ARG A 87 -5.021 2.366 1.759 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.992 -0.015 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.428 2.545 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.673 1.667 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.083 0.202 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.815 0.633 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.131 2.314 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.711 3.066 5.782 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.693 1.358 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.585 2.652 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.608 2.456 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.015 1.103 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.716 1.576 9.746 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.261 0.385 3.204 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.512 -0.323 3.414 1.00 0.00 C ATOM 1304 C ARG A 88 -8.698 -1.402 2.344 1.00 0.00 C ATOM 1305 O ARG A 88 -9.359 -2.411 2.583 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.703 0.637 3.371 1.00 0.00 C ATOM 1307 CG ARG A 88 -11.008 -0.118 3.112 1.00 0.00 C ATOM 1308 CD ARG A 88 -12.219 0.789 3.333 1.00 0.00 C ATOM 1309 NE ARG A 88 -13.309 0.028 3.985 1.00 0.00 N ATOM 1310 CZ ARG A 88 -14.015 -0.938 3.383 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.750 -1.268 2.112 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.985 -1.575 4.052 1.00 0.00 N ATOM 0 H ARG A 88 -7.351 1.399 3.134 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.468 -0.786 4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.773 1.178 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.547 1.380 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.016 -0.498 2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.070 -0.982 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.938 1.641 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.563 1.189 2.379 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.537 0.254 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.011 -0.784 1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.288 -2.004 1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.186 -1.324 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.523 -2.311 3.593 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.103 -1.151 1.187 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.194 -2.088 0.080 1.00 0.00 C ATOM 1328 C ASP A 89 -7.135 -3.179 0.252 1.00 0.00 C ATOM 1329 O ASP A 89 -7.359 -4.330 -0.118 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.939 -1.388 -1.256 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.712 -1.962 -2.445 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.816 -3.206 -2.507 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.182 -1.144 -3.264 1.00 0.00 O ATOM 0 H ASP A 89 -7.556 -0.312 0.992 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.198 -2.512 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.194 -0.334 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.873 -1.437 -1.477 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.004 -2.778 0.814 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.910 -3.707 1.040 1.00 0.00 C ATOM 1340 C GLY A 90 -5.238 -4.675 2.179 1.00 0.00 C ATOM 1341 O GLY A 90 -5.104 -5.888 2.026 1.00 0.00 O ATOM 0 H GLY A 90 -5.822 -1.822 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.711 -4.268 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.002 -3.154 1.279 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.663 -4.102 3.296 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.011 -4.898 4.460 1.00 0.00 C ATOM 1347 C VAL A 91 -7.178 -5.823 4.108 1.00 0.00 C ATOM 1348 O VAL A 91 -7.169 -7.001 4.462 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.311 -3.984 5.649 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.131 -3.051 5.934 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.596 -3.187 5.418 1.00 0.00 C ATOM 0 H VAL A 91 -5.774 -3.096 3.419 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.173 -5.529 4.756 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.461 -4.614 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.370 -2.412 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.246 -3.644 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.936 -2.432 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.786 -2.545 6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.487 -2.573 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.432 -3.874 5.287 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.155 -5.255 3.417 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.327 -6.014 3.014 1.00 0.00 C ATOM 1363 C ARG A 92 -8.919 -7.179 2.110 1.00 0.00 C ATOM 1364 O ARG A 92 -9.462 -8.277 2.224 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.328 -5.127 2.271 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.253 -5.966 1.387 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.518 -5.187 1.022 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.455 -6.062 0.283 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.702 -5.709 -0.059 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -15.168 -4.496 0.269 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.482 -6.568 -0.729 1.00 0.00 N ATOM 0 H ARG A 92 -8.159 -4.278 3.126 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.800 -6.399 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.921 -4.561 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.792 -4.402 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.727 -6.258 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.525 -6.884 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.996 -4.809 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.259 -4.321 0.413 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.132 -6.992 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.574 -3.842 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.117 -4.227 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.127 -7.491 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.431 -6.299 -0.989 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.967 -6.900 1.232 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.480 -7.912 0.309 1.00 0.00 C ATOM 1387 C LYS A 93 -7.088 -9.165 1.094 1.00 0.00 C ATOM 1388 O LYS A 93 -7.606 -10.251 0.836 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.351 -7.349 -0.556 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.643 -8.465 -1.327 1.00 0.00 C ATOM 1391 CD LYS A 93 -5.782 -8.262 -2.837 1.00 0.00 C ATOM 1392 CE LYS A 93 -4.507 -8.688 -3.567 1.00 0.00 C ATOM 1393 NZ LYS A 93 -4.433 -8.045 -4.898 1.00 0.00 N ATOM 0 H LYS A 93 -7.520 -5.988 1.140 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.267 -8.204 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.755 -6.618 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.632 -6.825 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.588 -8.487 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.065 -9.430 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.628 -8.840 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.994 -7.214 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.633 -8.415 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.490 -9.772 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.562 -8.345 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.258 -8.327 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.428 -7.011 -4.784 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.176 -8.973 2.036 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.708 -10.075 2.860 1.00 0.00 C ATOM 1409 C VAL A 94 -6.895 -10.691 3.602 1.00 0.00 C ATOM 1410 O VAL A 94 -7.147 -11.890 3.491 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.600 -9.592 3.799 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.896 -10.774 4.469 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.598 -8.707 3.055 1.00 0.00 C ATOM 0 H VAL A 94 -5.749 -8.071 2.247 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.271 -10.858 2.240 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.062 -8.990 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.113 -10.404 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.620 -11.348 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.453 -11.414 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.821 -8.377 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.144 -9.275 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.113 -7.838 2.647 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.593 -9.843 4.344 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.747 -10.289 5.105 1.00 0.00 C ATOM 1425 C GLN A 95 -9.528 -11.343 4.317 1.00 0.00 C ATOM 1426 O GLN A 95 -9.673 -12.478 4.767 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.646 -9.109 5.481 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.038 -8.302 6.630 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.117 -7.512 7.375 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.134 -8.042 7.792 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.838 -6.220 7.520 1.00 0.00 N ATOM 0 H GLN A 95 -7.381 -8.849 4.434 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.393 -10.743 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.788 -8.464 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.631 -9.475 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.530 -8.974 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.285 -7.617 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.968 -5.841 7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.494 -5.608 8.005 1.00 0.00 H new ATOM 1440 N THR A 96 -10.009 -10.929 3.154 1.00 0.00 N ATOM 1441 CA THR A 96 -10.771 -11.823 2.299 1.00 0.00 C ATOM 1442 C THR A 96 -10.012 -13.135 2.087 1.00 0.00 C ATOM 1443 O THR A 96 -10.576 -14.216 2.245 1.00 0.00 O ATOM 1444 CB THR A 96 -11.080 -11.083 0.996 1.00 0.00 C ATOM 1445 OG1 THR A 96 -12.075 -10.131 1.365 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.780 -11.974 -0.033 1.00 0.00 C ATOM 0 H THR A 96 -9.886 -9.987 2.784 1.00 0.00 H new ATOM 0 HA THR A 96 -11.717 -12.102 2.763 1.00 0.00 H new ATOM 0 HB THR A 96 -10.154 -10.696 0.570 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.333 -9.606 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.976 -11.399 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.141 -12.823 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.722 -12.335 0.379 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.743 -12.995 1.732 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.900 -14.155 1.497 1.00 0.00 C ATOM 1456 C ILE A 97 -7.834 -14.999 2.772 1.00 0.00 C ATOM 1457 O ILE A 97 -7.951 -16.222 2.718 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.529 -13.724 0.973 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.667 -12.881 -0.296 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.618 -14.935 0.760 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -5.378 -12.109 -0.585 1.00 0.00 C ATOM 0 H ILE A 97 -8.278 -12.096 1.601 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.329 -14.786 0.718 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.057 -13.095 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.906 -13.526 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.496 -12.182 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.650 -14.601 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.482 -15.459 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.073 -15.609 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.503 -11.518 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.155 -11.447 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.556 -12.812 -0.720 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.645 -14.312 3.889 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.561 -14.983 5.175 1.00 0.00 C ATOM 1475 C LEU A 98 -8.828 -15.813 5.396 1.00 0.00 C ATOM 1476 O LEU A 98 -8.788 -16.846 6.061 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.287 -13.971 6.290 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.820 -13.786 6.681 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.602 -12.438 7.371 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.330 -14.955 7.539 1.00 0.00 C ATOM 0 H LEU A 98 -7.548 -13.297 3.930 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.719 -15.675 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.685 -13.004 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.843 -14.277 7.176 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.222 -13.782 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.551 -12.332 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.887 -11.633 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.213 -12.388 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.284 -14.799 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.929 -15.015 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.428 -15.884 6.978 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.921 -15.329 4.824 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.196 -16.014 4.950 1.00 0.00 C ATOM 1494 C GLU A 99 -11.328 -17.093 3.873 1.00 0.00 C ATOM 1495 O GLU A 99 -12.037 -18.080 4.062 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.360 -15.023 4.878 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.163 -15.025 6.180 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.317 -14.022 6.115 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.657 -13.623 4.980 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -14.832 -13.678 7.200 1.00 0.00 O ATOM 0 H GLU A 99 -9.950 -14.471 4.273 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.232 -16.497 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.978 -14.021 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.012 -15.282 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.555 -16.024 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.508 -14.778 7.016 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.635 -16.867 2.767 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.666 -17.808 1.660 1.00 0.00 C ATOM 1509 C LYS A 100 -9.843 -19.046 2.025 1.00 0.00 C ATOM 1510 O LYS A 100 -10.197 -20.163 1.651 1.00 0.00 O ATOM 1511 CB LYS A 100 -10.213 -17.128 0.366 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.776 -17.521 0.014 1.00 0.00 C ATOM 1513 CD LYS A 100 -8.263 -16.711 -1.178 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.873 -17.215 -2.487 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.240 -16.545 -3.646 1.00 0.00 N ATOM 0 H LYS A 100 -10.049 -16.046 2.613 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.686 -18.146 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.880 -17.408 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.281 -16.046 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.129 -17.357 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.733 -18.585 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.509 -15.658 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.176 -16.780 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.739 -18.294 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.946 -17.026 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.400 -17.111 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.657 -15.600 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.218 -16.453 -3.478 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.761 -18.805 2.750 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.885 -19.886 3.170 1.00 0.00 C ATOM 1531 C LEU A 101 -8.678 -20.874 4.027 1.00 0.00 C ATOM 1532 O LEU A 101 -8.712 -22.068 3.733 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.641 -19.329 3.864 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.695 -20.363 4.478 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -5.211 -21.358 3.421 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.531 -19.682 5.200 1.00 0.00 C ATOM 0 H LEU A 101 -8.471 -17.877 3.058 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.518 -20.437 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.080 -18.737 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.963 -18.648 4.652 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.249 -20.931 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.540 -22.082 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.067 -21.879 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.680 -20.823 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.874 -20.440 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.970 -19.073 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.919 -19.047 5.997 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.295 -20.341 5.071 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.085 -21.161 5.973 1.00 0.00 C ATOM 1550 C GLU A 102 -10.858 -22.222 5.187 1.00 0.00 C ATOM 1551 O GLU A 102 -10.764 -23.412 5.485 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.033 -20.300 6.810 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.275 -19.570 7.921 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.026 -18.313 8.363 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.239 -18.442 8.636 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -10.371 -17.250 8.417 1.00 0.00 O ATOM 0 H GLU A 102 -9.264 -19.350 5.312 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.406 -21.668 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.533 -19.574 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.810 -20.928 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.141 -20.236 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.280 -19.298 7.569 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.605 -21.753 4.198 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.393 -22.646 3.367 1.00 0.00 C ATOM 1565 C GLN A 103 -11.492 -23.693 2.709 1.00 0.00 C ATOM 1566 O GLN A 103 -11.840 -24.871 2.654 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.182 -21.863 2.316 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.472 -21.293 2.910 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.703 -21.924 2.257 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -16.419 -22.712 2.853 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -15.908 -21.536 1.002 1.00 0.00 N ATOM 0 H GLN A 103 -11.681 -20.766 3.954 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.112 -23.163 4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.568 -21.052 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.421 -22.515 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.493 -21.475 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.495 -20.212 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.270 -20.873 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.704 -21.901 0.479 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.350 -23.225 2.226 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.396 -24.105 1.574 1.00 0.00 C ATOM 1582 C LYS A 104 -8.936 -25.175 2.566 1.00 0.00 C ATOM 1583 O LYS A 104 -8.657 -26.309 2.178 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.249 -23.296 0.966 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.782 -22.117 0.150 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.485 -22.302 -1.340 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.140 -23.577 -1.875 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.538 -23.401 -3.289 1.00 0.00 N ATOM 0 H LYS A 104 -10.064 -22.247 2.274 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.866 -24.625 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.598 -22.929 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.643 -23.940 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.857 -22.022 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.328 -21.191 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.851 -21.440 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.407 -22.349 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.446 -24.413 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.014 -23.824 -1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.981 -24.276 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.216 -22.616 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.697 -23.187 -3.862 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.870 -24.777 3.828 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.448 -25.688 4.879 1.00 0.00 C ATOM 1604 C ALA A 105 -9.678 -26.183 5.643 1.00 0.00 C ATOM 1605 O ALA A 105 -9.624 -26.373 6.857 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.440 -24.985 5.790 1.00 0.00 C ATOM 0 H ALA A 105 -9.102 -23.836 4.147 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.951 -26.560 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.124 -25.668 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.573 -24.679 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.905 -24.106 6.237 1.00 0.00 H new ATOM 1612 N SER A 106 -10.757 -26.379 4.900 1.00 0.00 N ATOM 1613 CA SER A 106 -11.998 -26.849 5.492 1.00 0.00 C ATOM 1614 C SER A 106 -12.520 -28.062 4.719 1.00 0.00 C ATOM 1615 O SER A 106 -13.594 -28.579 5.022 1.00 0.00 O ATOM 1616 CB SER A 106 -13.052 -25.740 5.515 1.00 0.00 C ATOM 1617 OG SER A 106 -13.192 -25.163 6.810 1.00 0.00 O ATOM 0 H SER A 106 -10.798 -26.221 3.893 1.00 0.00 H new ATOM 0 HA SER A 106 -11.796 -27.142 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.777 -24.964 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.011 -26.145 5.193 1.00 0.00 H new ATOM 0 HG SER A 106 -13.873 -24.458 6.782 1.00 0.00 H new ATOM 1623 N GLY A 107 -11.736 -28.480 3.736 1.00 0.00 N ATOM 1624 CA GLY A 107 -12.106 -29.622 2.918 1.00 0.00 C ATOM 1625 C GLY A 107 -11.183 -29.749 1.705 1.00 0.00 C ATOM 1626 O GLY A 107 -9.970 -29.889 1.855 1.00 0.00 O ATOM 0 H GLY A 107 -10.846 -28.048 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.056 -30.533 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.138 -29.516 2.585 1.00 0.00 H new ATOM 1630 N PRO A 108 -11.809 -29.694 0.498 1.00 0.00 N ATOM 1631 CA PRO A 108 -11.057 -29.801 -0.740 1.00 0.00 C ATOM 1632 C PRO A 108 -10.299 -28.506 -1.035 1.00 0.00 C ATOM 1633 O PRO A 108 -10.658 -27.443 -0.531 1.00 0.00 O ATOM 1634 CB PRO A 108 -12.092 -30.138 -1.801 1.00 0.00 C ATOM 1635 CG PRO A 108 -13.437 -29.751 -1.209 1.00 0.00 C ATOM 1636 CD PRO A 108 -13.243 -29.529 0.282 1.00 0.00 C ATOM 0 HA PRO A 108 -10.285 -30.569 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.899 -29.590 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -12.065 -31.199 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -13.817 -28.846 -1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -14.172 -30.536 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -13.577 -28.535 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -13.817 -30.248 0.867 1.00 0.00 H new ATOM 1644 N SER A 109 -9.263 -28.636 -1.852 1.00 0.00 N ATOM 1645 CA SER A 109 -8.451 -27.489 -2.220 1.00 0.00 C ATOM 1646 C SER A 109 -7.275 -27.938 -3.090 1.00 0.00 C ATOM 1647 O SER A 109 -6.446 -28.736 -2.655 1.00 0.00 O ATOM 1648 CB SER A 109 -7.943 -26.753 -0.979 1.00 0.00 C ATOM 1649 OG SER A 109 -7.626 -27.650 0.081 1.00 0.00 O ATOM 0 H SER A 109 -8.968 -29.519 -2.269 1.00 0.00 H new ATOM 0 HA SER A 109 -9.073 -26.798 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.058 -26.172 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.701 -26.046 -0.641 1.00 0.00 H new ATOM 0 HG SER A 109 -7.921 -27.267 0.933 1.00 0.00 H new ATOM 1655 N SER A 110 -7.240 -27.406 -4.303 1.00 0.00 N ATOM 1656 CA SER A 110 -6.180 -27.742 -5.237 1.00 0.00 C ATOM 1657 C SER A 110 -6.351 -26.945 -6.532 1.00 0.00 C ATOM 1658 O SER A 110 -7.406 -26.359 -6.770 1.00 0.00 O ATOM 1659 CB SER A 110 -6.164 -29.242 -5.536 1.00 0.00 C ATOM 1660 OG SER A 110 -4.842 -29.729 -5.755 1.00 0.00 O ATOM 0 H SER A 110 -7.929 -26.744 -4.660 1.00 0.00 H new ATOM 0 HA SER A 110 -5.226 -27.480 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.616 -29.782 -4.704 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.775 -29.443 -6.416 1.00 0.00 H new ATOM 0 HG SER A 110 -4.874 -30.691 -5.941 1.00 0.00 H new ATOM 1666 N GLY A 111 -5.296 -26.947 -7.334 1.00 0.00 N ATOM 1667 CA GLY A 111 -5.317 -26.232 -8.599 1.00 0.00 C ATOM 1668 C GLY A 111 -5.166 -27.196 -9.777 1.00 0.00 C ATOM 1669 O GLY A 111 -4.114 -27.807 -9.953 1.00 0.00 O ATOM 0 H GLY A 111 -4.422 -27.432 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.252 -25.681 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.511 -25.498 -8.619 1.00 0.00 H new TER 1673 GLY A 111