USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 66 ASN : amide:sc= -7.06! C(o=-7.2!,f=-4.9!) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.179 K(o=-7.2,f=-15!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.1!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 11:sc= 0.0305 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.847 (180deg=-2.26!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 29:sc= 0.759 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 50:sc= 0.409 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.402 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -0.309 (180deg=-1.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -75:sc= 0.525! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.563) USER MOD Single : A 63 THR OG1 : rot -129:sc= -0.917 USER MOD Single : A 65 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.08) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 30.609 -27.766 -25.471 1.00 0.00 N ATOM 2 CA GLY A -6 30.026 -27.979 -26.782 1.00 0.00 C ATOM 3 C GLY A -6 28.590 -27.499 -26.863 1.00 0.00 C ATOM 4 O GLY A -6 27.657 -28.270 -26.639 1.00 0.00 O ATOM 0 H1 GLY A -6 31.590 -28.110 -25.467 1.00 0.00 H new ATOM 0 H2 GLY A -6 30.598 -26.751 -25.247 1.00 0.00 H new ATOM 0 H3 GLY A -6 30.058 -28.284 -24.758 1.00 0.00 H new ATOM 0 HA2 GLY A -6 30.623 -27.458 -27.531 1.00 0.00 H new ATOM 0 HA3 GLY A -6 30.065 -29.041 -27.026 1.00 0.00 H new ATOM 8 N SER A -5 28.412 -26.221 -27.183 1.00 0.00 N ATOM 9 CA SER A -5 27.079 -25.638 -27.287 1.00 0.00 C ATOM 10 C SER A -5 26.900 -24.929 -28.626 1.00 0.00 C ATOM 11 O SER A -5 27.875 -24.556 -29.279 1.00 0.00 O ATOM 12 CB SER A -5 26.839 -24.655 -26.140 1.00 0.00 C ATOM 13 OG SER A -5 25.453 -24.484 -25.897 1.00 0.00 O ATOM 0 H SER A -5 29.173 -25.570 -27.375 1.00 0.00 H new ATOM 0 HA SER A -5 26.349 -26.445 -27.223 1.00 0.00 H new ATOM 0 HB2 SER A -5 27.328 -25.019 -25.236 1.00 0.00 H new ATOM 0 HB3 SER A -5 27.291 -23.693 -26.381 1.00 0.00 H new ATOM 0 HG SER A -5 25.326 -23.853 -25.158 1.00 0.00 H new ATOM 19 N SER A -4 25.646 -24.746 -29.028 1.00 0.00 N ATOM 20 CA SER A -4 25.338 -24.085 -30.291 1.00 0.00 C ATOM 21 C SER A -4 24.108 -23.193 -30.151 1.00 0.00 C ATOM 22 O SER A -4 23.105 -23.588 -29.558 1.00 0.00 O ATOM 23 CB SER A -4 25.106 -25.123 -31.391 1.00 0.00 C ATOM 24 OG SER A -4 26.335 -25.638 -31.874 1.00 0.00 O ATOM 0 H SER A -4 24.828 -25.046 -28.498 1.00 0.00 H new ATOM 0 HA SER A -4 26.189 -23.461 -30.563 1.00 0.00 H new ATOM 0 HB2 SER A -4 24.494 -25.938 -31.003 1.00 0.00 H new ATOM 0 HB3 SER A -4 24.550 -24.670 -32.212 1.00 0.00 H new ATOM 0 HG SER A -4 27.063 -25.356 -31.282 1.00 0.00 H new ATOM 30 N GLY A -3 24.194 -21.986 -30.702 1.00 0.00 N ATOM 31 CA GLY A -3 23.083 -21.055 -30.627 1.00 0.00 C ATOM 32 C GLY A -3 23.474 -19.651 -31.044 1.00 0.00 C ATOM 33 O GLY A -3 24.275 -18.998 -30.376 1.00 0.00 O ATOM 0 H GLY A -3 25.013 -21.636 -31.199 1.00 0.00 H new ATOM 0 HA2 GLY A -3 22.273 -21.408 -31.266 1.00 0.00 H new ATOM 0 HA3 GLY A -3 22.699 -21.034 -29.607 1.00 0.00 H new ATOM 37 N SER A -2 22.908 -19.186 -32.153 1.00 0.00 N ATOM 38 CA SER A -2 23.206 -17.852 -32.662 1.00 0.00 C ATOM 39 C SER A -2 22.293 -16.810 -32.022 1.00 0.00 C ATOM 40 O SER A -2 22.745 -15.742 -31.611 1.00 0.00 O ATOM 41 CB SER A -2 23.050 -17.817 -34.184 1.00 0.00 C ATOM 42 OG SER A -2 23.834 -16.783 -34.753 1.00 0.00 O ATOM 0 H SER A -2 22.241 -19.713 -32.716 1.00 0.00 H new ATOM 0 HA SER A -2 24.238 -17.614 -32.404 1.00 0.00 H new ATOM 0 HB2 SER A -2 23.348 -18.777 -34.605 1.00 0.00 H new ATOM 0 HB3 SER A -2 22.002 -17.667 -34.442 1.00 0.00 H new ATOM 0 HG SER A -2 23.718 -16.783 -35.726 1.00 0.00 H new ATOM 48 N SER A -1 21.006 -17.130 -31.941 1.00 0.00 N ATOM 49 CA SER A -1 20.028 -16.221 -31.355 1.00 0.00 C ATOM 50 C SER A -1 19.991 -16.368 -29.837 1.00 0.00 C ATOM 51 O SER A -1 20.237 -15.412 -29.103 1.00 0.00 O ATOM 52 CB SER A -1 18.638 -16.488 -31.938 1.00 0.00 C ATOM 53 OG SER A -1 18.642 -16.352 -33.348 1.00 0.00 O ATOM 0 H SER A -1 20.616 -18.012 -32.274 1.00 0.00 H new ATOM 0 HA SER A -1 20.326 -15.201 -31.597 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.314 -17.493 -31.667 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.919 -15.793 -31.504 1.00 0.00 H new ATOM 0 HG SER A -1 17.743 -16.529 -33.696 1.00 0.00 H new ATOM 59 N GLY A 1 19.683 -17.575 -29.372 1.00 0.00 N ATOM 60 CA GLY A 1 19.619 -17.827 -27.944 1.00 0.00 C ATOM 61 C GLY A 1 18.629 -18.919 -27.591 1.00 0.00 C ATOM 62 O GLY A 1 17.849 -19.373 -28.428 1.00 0.00 O ATOM 0 H GLY A 1 19.477 -18.383 -29.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.609 -18.108 -27.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.340 -16.908 -27.428 1.00 0.00 H new ATOM 66 N PRO A 2 18.654 -19.359 -26.324 1.00 0.00 N ATOM 67 CA PRO A 2 17.759 -20.411 -25.834 1.00 0.00 C ATOM 68 C PRO A 2 16.310 -19.945 -25.747 1.00 0.00 C ATOM 69 O PRO A 2 16.023 -18.773 -25.501 1.00 0.00 O ATOM 70 CB PRO A 2 18.306 -20.720 -24.438 1.00 0.00 C ATOM 71 CG PRO A 2 18.997 -19.469 -24.017 1.00 0.00 C ATOM 72 CD PRO A 2 19.558 -18.862 -25.273 1.00 0.00 C ATOM 0 HA PRO A 2 17.741 -21.274 -26.500 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.504 -20.981 -23.747 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.995 -21.564 -24.461 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.302 -18.785 -23.530 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.789 -19.683 -23.300 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.561 -17.773 -25.227 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.587 -19.176 -25.446 1.00 0.00 H new ATOM 80 N PRO A 3 15.372 -20.882 -25.952 1.00 0.00 N ATOM 81 CA PRO A 3 13.937 -20.590 -25.901 1.00 0.00 C ATOM 82 C PRO A 3 13.458 -20.282 -24.487 1.00 0.00 C ATOM 83 O PRO A 3 13.998 -20.802 -23.510 1.00 0.00 O ATOM 84 CB PRO A 3 13.294 -21.882 -26.414 1.00 0.00 C ATOM 85 CG PRO A 3 14.292 -22.946 -26.114 1.00 0.00 C ATOM 86 CD PRO A 3 15.642 -22.299 -26.250 1.00 0.00 C ATOM 0 HA PRO A 3 13.680 -19.707 -26.487 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.345 -22.077 -25.915 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.086 -21.824 -27.482 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.149 -23.343 -25.109 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.189 -23.783 -26.805 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.364 -22.726 -25.554 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.051 -22.428 -27.252 1.00 0.00 H new ATOM 94 N LYS A 4 12.440 -19.434 -24.383 1.00 0.00 N ATOM 95 CA LYS A 4 11.886 -19.058 -23.088 1.00 0.00 C ATOM 96 C LYS A 4 11.591 -20.292 -22.242 1.00 0.00 C ATOM 97 O LYS A 4 11.752 -21.424 -22.701 1.00 0.00 O ATOM 98 CB LYS A 4 10.608 -18.238 -23.276 1.00 0.00 C ATOM 99 CG LYS A 4 10.864 -16.797 -23.684 1.00 0.00 C ATOM 100 CD LYS A 4 11.134 -15.915 -22.477 1.00 0.00 C ATOM 101 CE LYS A 4 10.872 -14.449 -22.787 1.00 0.00 C ATOM 102 NZ LYS A 4 11.982 -13.842 -23.573 1.00 0.00 N ATOM 0 H LYS A 4 11.982 -18.994 -25.181 1.00 0.00 H new ATOM 0 HA LYS A 4 12.627 -18.451 -22.567 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.988 -18.717 -24.034 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.040 -18.248 -22.346 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.715 -16.756 -24.363 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.002 -16.414 -24.230 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.503 -16.231 -21.646 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.168 -16.041 -22.157 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.940 -14.356 -23.344 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.743 -13.898 -21.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.766 -12.843 -23.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.867 -13.907 -23.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.089 -14.351 -24.473 1.00 0.00 H new ATOM 116 N PHE A 5 11.157 -20.068 -21.007 1.00 0.00 N ATOM 117 CA PHE A 5 10.839 -21.163 -20.097 1.00 0.00 C ATOM 118 C PHE A 5 10.072 -20.653 -18.880 1.00 0.00 C ATOM 119 O PHE A 5 10.360 -19.577 -18.357 1.00 0.00 O ATOM 120 CB PHE A 5 12.119 -21.870 -19.648 1.00 0.00 C ATOM 121 CG PHE A 5 11.902 -23.296 -19.231 1.00 0.00 C ATOM 122 CD1 PHE A 5 11.576 -24.264 -20.167 1.00 0.00 C ATOM 123 CD2 PHE A 5 12.022 -23.668 -17.902 1.00 0.00 C ATOM 124 CE1 PHE A 5 11.376 -25.577 -19.786 1.00 0.00 C ATOM 125 CE2 PHE A 5 11.823 -24.980 -17.515 1.00 0.00 C ATOM 126 CZ PHE A 5 11.499 -25.936 -18.458 1.00 0.00 C ATOM 0 H PHE A 5 11.017 -19.138 -20.612 1.00 0.00 H new ATOM 0 HA PHE A 5 10.208 -21.874 -20.631 1.00 0.00 H new ATOM 0 HB2 PHE A 5 12.843 -21.844 -20.462 1.00 0.00 H new ATOM 0 HB3 PHE A 5 12.556 -21.319 -18.815 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.477 -23.989 -21.207 1.00 0.00 H new ATOM 0 HD2 PHE A 5 12.274 -22.925 -17.160 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.124 -26.322 -20.526 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.921 -25.258 -16.476 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.342 -26.961 -18.158 1.00 0.00 H new ATOM 136 N ASP A 6 9.094 -21.435 -18.436 1.00 0.00 N ATOM 137 CA ASP A 6 8.285 -21.064 -17.280 1.00 0.00 C ATOM 138 C ASP A 6 9.137 -20.377 -16.218 1.00 0.00 C ATOM 139 O ASP A 6 10.301 -20.719 -16.004 1.00 0.00 O ATOM 140 CB ASP A 6 7.608 -22.301 -16.687 1.00 0.00 C ATOM 141 CG ASP A 6 8.422 -23.563 -16.896 1.00 0.00 C ATOM 142 OD1 ASP A 6 8.413 -24.095 -18.027 1.00 0.00 O ATOM 143 OD2 ASP A 6 9.069 -24.018 -15.930 1.00 0.00 O ATOM 0 H ASP A 6 8.842 -22.329 -18.858 1.00 0.00 H new ATOM 0 HA ASP A 6 7.519 -20.364 -17.613 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.448 -22.148 -15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.625 -22.427 -17.141 1.00 0.00 H new ATOM 148 N PRO A 7 8.547 -19.384 -15.537 1.00 0.00 N ATOM 149 CA PRO A 7 9.234 -18.627 -14.486 1.00 0.00 C ATOM 150 C PRO A 7 9.485 -19.466 -13.238 1.00 0.00 C ATOM 151 O PRO A 7 10.573 -19.432 -12.664 1.00 0.00 O ATOM 152 CB PRO A 7 8.262 -17.486 -14.177 1.00 0.00 C ATOM 153 CG PRO A 7 6.924 -18.012 -14.567 1.00 0.00 C ATOM 154 CD PRO A 7 7.163 -18.923 -15.740 1.00 0.00 C ATOM 0 HA PRO A 7 10.220 -18.290 -14.805 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.289 -17.218 -13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.514 -16.588 -14.741 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.461 -18.552 -13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.248 -17.200 -14.835 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.460 -19.756 -15.752 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.050 -18.396 -16.688 1.00 0.00 H new ATOM 162 N ASN A 8 8.471 -20.218 -12.822 1.00 0.00 N ATOM 163 CA ASN A 8 8.583 -21.066 -11.641 1.00 0.00 C ATOM 164 C ASN A 8 9.312 -20.338 -10.515 1.00 0.00 C ATOM 165 O ASN A 8 10.152 -20.920 -9.829 1.00 0.00 O ATOM 166 CB ASN A 8 9.319 -22.362 -11.985 1.00 0.00 C ATOM 167 CG ASN A 8 8.379 -23.448 -12.475 1.00 0.00 C ATOM 168 OD1 ASN A 8 8.530 -23.960 -13.584 1.00 0.00 O ATOM 169 ND2 ASN A 8 7.403 -23.803 -11.647 1.00 0.00 N ATOM 0 H ASN A 8 7.563 -20.257 -13.285 1.00 0.00 H new ATOM 0 HA ASN A 8 7.576 -21.307 -11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.067 -22.159 -12.752 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.854 -22.718 -11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.740 -24.528 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.317 -23.351 -10.737 1.00 0.00 H new ATOM 176 N GLU A 9 8.984 -19.063 -10.332 1.00 0.00 N ATOM 177 CA GLU A 9 9.608 -18.256 -9.290 1.00 0.00 C ATOM 178 C GLU A 9 8.737 -17.054 -8.938 1.00 0.00 C ATOM 179 O GLU A 9 7.998 -16.541 -9.779 1.00 0.00 O ATOM 180 CB GLU A 9 10.991 -17.783 -9.741 1.00 0.00 C ATOM 181 CG GLU A 9 11.670 -16.854 -8.749 1.00 0.00 C ATOM 182 CD GLU A 9 13.176 -16.813 -8.923 1.00 0.00 C ATOM 183 OE1 GLU A 9 13.784 -17.892 -9.079 1.00 0.00 O ATOM 184 OE2 GLU A 9 13.746 -15.702 -8.903 1.00 0.00 O ATOM 0 H GLU A 9 8.290 -18.567 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 9 9.716 -18.877 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.627 -18.653 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.896 -17.271 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.267 -15.848 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.434 -17.177 -7.735 1.00 0.00 H new ATOM 191 N VAL A 10 8.829 -16.609 -7.689 1.00 0.00 N ATOM 192 CA VAL A 10 8.050 -15.467 -7.224 1.00 0.00 C ATOM 193 C VAL A 10 7.899 -14.422 -8.323 1.00 0.00 C ATOM 194 O VAL A 10 8.822 -14.187 -9.104 1.00 0.00 O ATOM 195 CB VAL A 10 8.699 -14.810 -5.991 1.00 0.00 C ATOM 196 CG1 VAL A 10 7.957 -13.537 -5.612 1.00 0.00 C ATOM 197 CG2 VAL A 10 8.731 -15.785 -4.824 1.00 0.00 C ATOM 0 H VAL A 10 9.435 -17.022 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 10 7.066 -15.845 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 10 9.726 -14.543 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.429 -13.087 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.990 -12.835 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.919 -13.776 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.193 -15.305 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.714 -16.084 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.310 -16.666 -5.102 1.00 0.00 H new ATOM 207 N LYS A 11 6.729 -13.795 -8.379 1.00 0.00 N ATOM 208 CA LYS A 11 6.455 -12.771 -9.381 1.00 0.00 C ATOM 209 C LYS A 11 6.082 -11.449 -8.720 1.00 0.00 C ATOM 210 O LYS A 11 5.288 -11.415 -7.779 1.00 0.00 O ATOM 211 CB LYS A 11 5.327 -13.226 -10.309 1.00 0.00 C ATOM 212 CG LYS A 11 5.241 -12.428 -11.599 1.00 0.00 C ATOM 213 CD LYS A 11 4.198 -13.004 -12.542 1.00 0.00 C ATOM 214 CE LYS A 11 4.789 -14.085 -13.433 1.00 0.00 C ATOM 215 NZ LYS A 11 5.053 -15.342 -12.679 1.00 0.00 N ATOM 0 H LYS A 11 5.954 -13.978 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 11 7.361 -12.620 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.470 -14.279 -10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.378 -13.147 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.994 -11.391 -11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.214 -12.423 -12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.373 -13.419 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.785 -12.207 -13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.105 -14.292 -14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.718 -13.724 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.975 -16.156 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.011 -15.310 -12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.357 -15.439 -11.912 1.00 0.00 H new ATOM 229 N VAL A 12 6.658 -10.360 -9.218 1.00 0.00 N ATOM 230 CA VAL A 12 6.384 -9.034 -8.677 1.00 0.00 C ATOM 231 C VAL A 12 5.743 -8.134 -9.728 1.00 0.00 C ATOM 232 O VAL A 12 6.068 -8.214 -10.912 1.00 0.00 O ATOM 233 CB VAL A 12 7.669 -8.362 -8.157 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.380 -6.943 -7.693 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.282 -9.185 -7.034 1.00 0.00 C ATOM 0 H VAL A 12 7.318 -10.370 -9.996 1.00 0.00 H new ATOM 0 HA VAL A 12 5.692 -9.169 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 12 8.388 -8.311 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.300 -6.485 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.989 -6.360 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.644 -6.966 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.189 -8.696 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.569 -9.269 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.528 -10.180 -7.405 1.00 0.00 H new ATOM 245 N VAL A 13 4.829 -7.275 -9.286 1.00 0.00 N ATOM 246 CA VAL A 13 4.142 -6.358 -10.187 1.00 0.00 C ATOM 247 C VAL A 13 4.350 -4.909 -9.760 1.00 0.00 C ATOM 248 O VAL A 13 4.333 -4.593 -8.570 1.00 0.00 O ATOM 249 CB VAL A 13 2.632 -6.653 -10.245 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.927 -5.659 -11.155 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.386 -8.081 -10.709 1.00 0.00 C ATOM 0 H VAL A 13 4.548 -7.196 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 13 4.571 -6.507 -11.178 1.00 0.00 H new ATOM 0 HB VAL A 13 2.220 -6.545 -9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.861 -5.884 -11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.075 -4.649 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.339 -5.731 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.314 -8.272 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.812 -8.219 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.856 -8.776 -10.013 1.00 0.00 H new ATOM 261 N TYR A 14 4.545 -4.032 -10.738 1.00 0.00 N ATOM 262 CA TYR A 14 4.758 -2.616 -10.464 1.00 0.00 C ATOM 263 C TYR A 14 3.740 -1.758 -11.208 1.00 0.00 C ATOM 264 O TYR A 14 3.522 -1.932 -12.408 1.00 0.00 O ATOM 265 CB TYR A 14 6.177 -2.205 -10.862 1.00 0.00 C ATOM 266 CG TYR A 14 7.252 -2.834 -10.006 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.654 -4.148 -10.214 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.866 -2.115 -8.987 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.636 -4.727 -9.434 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.849 -2.686 -8.203 1.00 0.00 C ATOM 271 CZ TYR A 14 9.231 -3.992 -8.430 1.00 0.00 C ATOM 272 OH TYR A 14 10.209 -4.564 -7.650 1.00 0.00 O ATOM 0 H TYR A 14 4.560 -4.277 -11.728 1.00 0.00 H new ATOM 0 HA TYR A 14 4.628 -2.456 -9.394 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.347 -2.479 -11.903 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.263 -1.120 -10.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.190 -4.727 -10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.569 -1.093 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.936 -5.750 -9.609 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.316 -2.113 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 14 10.525 -3.911 -6.991 1.00 0.00 H new ATOM 282 N LEU A 15 3.120 -0.829 -10.488 1.00 0.00 N ATOM 283 CA LEU A 15 2.125 0.059 -11.079 1.00 0.00 C ATOM 284 C LEU A 15 2.287 1.483 -10.558 1.00 0.00 C ATOM 285 O LEU A 15 2.665 1.693 -9.405 1.00 0.00 O ATOM 286 CB LEU A 15 0.714 -0.450 -10.775 1.00 0.00 C ATOM 287 CG LEU A 15 0.253 -1.668 -11.577 1.00 0.00 C ATOM 288 CD1 LEU A 15 -1.013 -2.255 -10.973 1.00 0.00 C ATOM 289 CD2 LEU A 15 0.027 -1.293 -13.034 1.00 0.00 C ATOM 0 H LEU A 15 3.289 -0.671 -9.495 1.00 0.00 H new ATOM 0 HA LEU A 15 2.277 0.068 -12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.659 -0.696 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.010 0.363 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 15 1.036 -2.425 -11.535 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.327 -3.121 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.818 -2.561 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.803 -1.504 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.301 -2.172 -13.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.738 -0.519 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.957 -0.919 -13.462 1.00 0.00 H new ATOM 301 N ARG A 16 1.997 2.458 -11.413 1.00 0.00 N ATOM 302 CA ARG A 16 2.111 3.862 -11.038 1.00 0.00 C ATOM 303 C ARG A 16 0.792 4.382 -10.473 1.00 0.00 C ATOM 304 O ARG A 16 -0.223 4.416 -11.169 1.00 0.00 O ATOM 305 CB ARG A 16 2.526 4.703 -12.247 1.00 0.00 C ATOM 306 CG ARG A 16 2.496 6.200 -11.987 1.00 0.00 C ATOM 307 CD ARG A 16 1.137 6.796 -12.318 1.00 0.00 C ATOM 308 NE ARG A 16 1.172 8.256 -12.350 1.00 0.00 N ATOM 309 CZ ARG A 16 0.266 8.999 -12.974 1.00 0.00 C ATOM 310 NH1 ARG A 16 -0.742 8.423 -13.615 1.00 0.00 N ATOM 311 NH2 ARG A 16 0.367 10.322 -12.958 1.00 0.00 N ATOM 0 H ARG A 16 1.681 2.301 -12.370 1.00 0.00 H new ATOM 0 HA ARG A 16 2.876 3.945 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.533 4.416 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.864 4.475 -13.082 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.734 6.394 -10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.265 6.690 -12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.802 6.420 -13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.407 6.467 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 16 1.934 8.731 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.823 7.406 -13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.437 8.997 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.141 10.768 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.329 10.892 -13.438 1.00 0.00 H new ATOM 325 N CYS A 17 0.816 4.784 -9.207 1.00 0.00 N ATOM 326 CA CYS A 17 -0.378 5.301 -8.547 1.00 0.00 C ATOM 327 C CYS A 17 -0.005 6.171 -7.351 1.00 0.00 C ATOM 328 O CYS A 17 1.127 6.128 -6.867 1.00 0.00 O ATOM 329 CB CYS A 17 -1.275 4.148 -8.094 1.00 0.00 C ATOM 330 SG CYS A 17 -2.345 3.490 -9.396 1.00 0.00 S ATOM 0 H CYS A 17 1.648 4.762 -8.617 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.922 5.915 -9.264 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.648 3.342 -7.712 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.896 4.489 -7.266 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.775 3.658 -10.552 1.00 0.00 H new ATOM 336 N THR A 18 -0.963 6.961 -6.878 1.00 0.00 N ATOM 337 CA THR A 18 -0.735 7.843 -5.740 1.00 0.00 C ATOM 338 C THR A 18 -1.047 7.137 -4.426 1.00 0.00 C ATOM 339 O THR A 18 -1.976 6.334 -4.346 1.00 0.00 O ATOM 340 CB THR A 18 -1.590 9.120 -5.839 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.382 9.752 -7.108 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.243 10.091 -4.721 1.00 0.00 C ATOM 0 H THR A 18 -1.905 7.008 -7.266 1.00 0.00 H new ATOM 0 HA THR A 18 0.320 8.118 -5.760 1.00 0.00 H new ATOM 0 HB THR A 18 -2.638 8.837 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.930 10.562 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.859 10.985 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.430 9.618 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.191 10.367 -4.792 1.00 0.00 H new ATOM 350 N GLY A 19 -0.264 7.442 -3.395 1.00 0.00 N ATOM 351 CA GLY A 19 -0.473 6.828 -2.097 1.00 0.00 C ATOM 352 C GLY A 19 -1.791 7.236 -1.469 1.00 0.00 C ATOM 353 O GLY A 19 -2.296 8.329 -1.722 1.00 0.00 O ATOM 0 H GLY A 19 0.511 8.104 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.444 5.743 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.344 7.105 -1.431 1.00 0.00 H new ATOM 357 N GLY A 20 -2.352 6.353 -0.647 1.00 0.00 N ATOM 358 CA GLY A 20 -3.615 6.645 0.005 1.00 0.00 C ATOM 359 C GLY A 20 -4.610 7.306 -0.928 1.00 0.00 C ATOM 360 O GLY A 20 -5.084 8.409 -0.660 1.00 0.00 O ATOM 0 H GLY A 20 -1.954 5.441 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.043 5.720 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.437 7.296 0.861 1.00 0.00 H new ATOM 364 N GLU A 21 -4.926 6.630 -2.028 1.00 0.00 N ATOM 365 CA GLU A 21 -5.870 7.161 -3.005 1.00 0.00 C ATOM 366 C GLU A 21 -7.288 6.681 -2.708 1.00 0.00 C ATOM 367 O GLU A 21 -7.741 5.673 -3.250 1.00 0.00 O ATOM 368 CB GLU A 21 -5.464 6.741 -4.420 1.00 0.00 C ATOM 369 CG GLU A 21 -6.496 7.090 -5.478 1.00 0.00 C ATOM 370 CD GLU A 21 -6.027 6.759 -6.882 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.500 5.646 -7.085 1.00 0.00 O ATOM 372 OE2 GLU A 21 -6.188 7.615 -7.778 1.00 0.00 O ATOM 0 H GLU A 21 -4.543 5.715 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.851 8.249 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.519 7.220 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.290 5.665 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.420 6.550 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.728 8.153 -5.418 1.00 0.00 H new ATOM 379 N VAL A 22 -7.984 7.412 -1.843 1.00 0.00 N ATOM 380 CA VAL A 22 -9.350 7.063 -1.473 1.00 0.00 C ATOM 381 C VAL A 22 -10.175 6.694 -2.701 1.00 0.00 C ATOM 382 O VAL A 22 -10.310 7.488 -3.632 1.00 0.00 O ATOM 383 CB VAL A 22 -10.044 8.221 -0.731 1.00 0.00 C ATOM 384 CG1 VAL A 22 -11.481 7.854 -0.395 1.00 0.00 C ATOM 385 CG2 VAL A 22 -9.270 8.587 0.526 1.00 0.00 C ATOM 0 H VAL A 22 -7.624 8.250 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.287 6.201 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.061 9.092 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.955 8.684 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.028 7.645 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.491 6.970 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.774 9.407 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.220 7.722 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.260 8.895 0.255 1.00 0.00 H new ATOM 395 N GLY A 23 -10.725 5.484 -2.697 1.00 0.00 N ATOM 396 CA GLY A 23 -11.531 5.031 -3.816 1.00 0.00 C ATOM 397 C GLY A 23 -11.688 3.524 -3.844 1.00 0.00 C ATOM 398 O GLY A 23 -10.869 2.797 -3.284 1.00 0.00 O ATOM 0 H GLY A 23 -10.627 4.809 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.516 5.495 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.073 5.363 -4.748 1.00 0.00 H new ATOM 402 N ALA A 24 -12.746 3.053 -4.497 1.00 0.00 N ATOM 403 CA ALA A 24 -13.008 1.623 -4.596 1.00 0.00 C ATOM 404 C ALA A 24 -12.102 0.969 -5.633 1.00 0.00 C ATOM 405 O ALA A 24 -11.360 1.649 -6.343 1.00 0.00 O ATOM 406 CB ALA A 24 -14.470 1.377 -4.940 1.00 0.00 C ATOM 0 H ALA A 24 -13.435 3.641 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.793 1.172 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.652 0.305 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.103 1.802 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.703 1.848 -5.895 1.00 0.00 H new ATOM 412 N THR A 25 -12.165 -0.357 -5.716 1.00 0.00 N ATOM 413 CA THR A 25 -11.348 -1.103 -6.665 1.00 0.00 C ATOM 414 C THR A 25 -12.108 -1.360 -7.962 1.00 0.00 C ATOM 415 O THR A 25 -12.913 -2.287 -8.047 1.00 0.00 O ATOM 416 CB THR A 25 -10.891 -2.450 -6.076 1.00 0.00 C ATOM 417 OG1 THR A 25 -12.018 -3.165 -5.557 1.00 0.00 O ATOM 418 CG2 THR A 25 -9.866 -2.238 -4.972 1.00 0.00 C ATOM 0 H THR A 25 -12.774 -0.936 -5.137 1.00 0.00 H new ATOM 0 HA THR A 25 -10.471 -0.491 -6.876 1.00 0.00 H new ATOM 0 HB THR A 25 -10.428 -3.032 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.728 -3.191 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.558 -3.204 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.997 -1.719 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.308 -1.639 -4.176 1.00 0.00 H new ATOM 426 N SER A 26 -11.847 -0.533 -8.969 1.00 0.00 N ATOM 427 CA SER A 26 -12.509 -0.669 -10.261 1.00 0.00 C ATOM 428 C SER A 26 -11.550 -1.229 -11.307 1.00 0.00 C ATOM 429 O SER A 26 -11.921 -2.084 -12.111 1.00 0.00 O ATOM 430 CB SER A 26 -13.054 0.683 -10.724 1.00 0.00 C ATOM 431 OG SER A 26 -14.210 0.520 -11.528 1.00 0.00 O ATOM 0 H SER A 26 -11.182 0.238 -8.915 1.00 0.00 H new ATOM 0 HA SER A 26 -13.339 -1.366 -10.144 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.294 1.298 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.287 1.214 -11.288 1.00 0.00 H new ATOM 0 HG SER A 26 -14.539 1.399 -11.809 1.00 0.00 H new ATOM 437 N ALA A 27 -10.314 -0.740 -11.289 1.00 0.00 N ATOM 438 CA ALA A 27 -9.300 -1.192 -12.234 1.00 0.00 C ATOM 439 C ALA A 27 -8.582 -2.433 -11.716 1.00 0.00 C ATOM 440 O ALA A 27 -8.179 -3.300 -12.493 1.00 0.00 O ATOM 441 CB ALA A 27 -8.301 -0.078 -12.509 1.00 0.00 C ATOM 0 H ALA A 27 -9.991 -0.031 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.799 -1.456 -13.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.550 -0.429 -13.216 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.822 0.782 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.815 0.213 -11.578 1.00 0.00 H new ATOM 447 N LEU A 28 -8.423 -2.513 -10.399 1.00 0.00 N ATOM 448 CA LEU A 28 -7.752 -3.649 -9.777 1.00 0.00 C ATOM 449 C LEU A 28 -8.675 -4.862 -9.718 1.00 0.00 C ATOM 450 O LEU A 28 -8.218 -6.004 -9.754 1.00 0.00 O ATOM 451 CB LEU A 28 -7.284 -3.281 -8.367 1.00 0.00 C ATOM 452 CG LEU A 28 -6.489 -1.981 -8.243 1.00 0.00 C ATOM 453 CD1 LEU A 28 -6.507 -1.479 -6.807 1.00 0.00 C ATOM 454 CD2 LEU A 28 -5.058 -2.183 -8.720 1.00 0.00 C ATOM 0 H LEU A 28 -8.750 -1.805 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.885 -3.905 -10.386 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.160 -3.211 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.670 -4.097 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.960 -1.229 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.936 -0.553 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.536 -1.295 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.062 -2.229 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.507 -1.247 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.577 -2.951 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.063 -2.496 -9.764 1.00 0.00 H new ATOM 466 N ALA A 29 -9.976 -4.605 -9.629 1.00 0.00 N ATOM 467 CA ALA A 29 -10.963 -5.675 -9.569 1.00 0.00 C ATOM 468 C ALA A 29 -10.684 -6.739 -10.625 1.00 0.00 C ATOM 469 O ALA A 29 -10.506 -7.919 -10.321 1.00 0.00 O ATOM 470 CB ALA A 29 -12.365 -5.110 -9.744 1.00 0.00 C ATOM 0 H ALA A 29 -10.370 -3.665 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.893 -6.146 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.092 -5.920 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.570 -4.392 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.439 -4.612 -10.711 1.00 0.00 H new ATOM 476 N PRO A 30 -10.645 -6.315 -11.898 1.00 0.00 N ATOM 477 CA PRO A 30 -10.388 -7.217 -13.025 1.00 0.00 C ATOM 478 C PRO A 30 -8.950 -7.723 -13.046 1.00 0.00 C ATOM 479 O PRO A 30 -8.652 -8.755 -13.647 1.00 0.00 O ATOM 480 CB PRO A 30 -10.665 -6.341 -14.249 1.00 0.00 C ATOM 481 CG PRO A 30 -10.434 -4.947 -13.779 1.00 0.00 C ATOM 482 CD PRO A 30 -10.848 -4.924 -12.333 1.00 0.00 C ATOM 0 HA PRO A 30 -11.004 -8.115 -12.978 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.001 -6.595 -15.076 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.686 -6.474 -14.608 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.387 -4.666 -13.890 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.018 -4.236 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.242 -4.229 -11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.887 -4.614 -12.217 1.00 0.00 H new ATOM 490 N LYS A 31 -8.060 -6.989 -12.387 1.00 0.00 N ATOM 491 CA LYS A 31 -6.652 -7.363 -12.328 1.00 0.00 C ATOM 492 C LYS A 31 -6.447 -8.571 -11.419 1.00 0.00 C ATOM 493 O LYS A 31 -5.738 -9.513 -11.774 1.00 0.00 O ATOM 494 CB LYS A 31 -5.810 -6.187 -11.827 1.00 0.00 C ATOM 495 CG LYS A 31 -5.879 -4.964 -12.726 1.00 0.00 C ATOM 496 CD LYS A 31 -4.819 -5.011 -13.813 1.00 0.00 C ATOM 497 CE LYS A 31 -4.839 -3.752 -14.666 1.00 0.00 C ATOM 498 NZ LYS A 31 -3.777 -3.772 -15.710 1.00 0.00 N ATOM 0 H LYS A 31 -8.289 -6.131 -11.886 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.331 -7.629 -13.335 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.144 -5.912 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.771 -6.506 -11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.867 -4.902 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.747 -4.063 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.835 -5.128 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.984 -5.883 -14.446 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.814 -3.651 -15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.704 -2.879 -14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.824 -2.897 -16.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.844 -3.842 -15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.920 -4.591 -16.335 1.00 0.00 H new ATOM 512 N ILE A 32 -7.073 -8.537 -10.248 1.00 0.00 N ATOM 513 CA ILE A 32 -6.962 -9.631 -9.290 1.00 0.00 C ATOM 514 C ILE A 32 -7.945 -10.750 -9.617 1.00 0.00 C ATOM 515 O ILE A 32 -7.788 -11.881 -9.160 1.00 0.00 O ATOM 516 CB ILE A 32 -7.212 -9.146 -7.850 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.276 -7.985 -7.510 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.025 -10.291 -6.866 1.00 0.00 C ATOM 519 CD1 ILE A 32 -6.635 -7.277 -6.222 1.00 0.00 C ATOM 0 H ILE A 32 -7.662 -7.764 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.944 -10.013 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.240 -8.792 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.256 -8.361 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.292 -7.265 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.205 -9.933 -5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.729 -11.090 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.007 -10.672 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.929 -6.465 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.643 -6.871 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.591 -7.984 -5.394 1.00 0.00 H new ATOM 531 N GLY A 33 -8.960 -10.425 -10.412 1.00 0.00 N ATOM 532 CA GLY A 33 -9.954 -11.414 -10.788 1.00 0.00 C ATOM 533 C GLY A 33 -9.362 -12.801 -10.941 1.00 0.00 C ATOM 534 O GLY A 33 -9.756 -13.746 -10.257 1.00 0.00 O ATOM 0 H GLY A 33 -9.112 -9.495 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.741 -11.439 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.422 -11.116 -11.726 1.00 0.00 H new ATOM 538 N PRO A 34 -8.393 -12.937 -11.859 1.00 0.00 N ATOM 539 CA PRO A 34 -7.727 -14.216 -12.122 1.00 0.00 C ATOM 540 C PRO A 34 -6.830 -14.651 -10.968 1.00 0.00 C ATOM 541 O PRO A 34 -6.658 -15.844 -10.717 1.00 0.00 O ATOM 542 CB PRO A 34 -6.890 -13.929 -13.371 1.00 0.00 C ATOM 543 CG PRO A 34 -6.648 -12.460 -13.336 1.00 0.00 C ATOM 544 CD PRO A 34 -7.874 -11.854 -12.709 1.00 0.00 C ATOM 0 HA PRO A 34 -8.442 -15.029 -12.248 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.953 -14.485 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.419 -14.221 -14.278 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.756 -12.225 -12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.488 -12.067 -14.340 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.630 -10.967 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.602 -11.550 -13.461 1.00 0.00 H new ATOM 552 N LEU A 35 -6.261 -13.676 -10.267 1.00 0.00 N ATOM 553 CA LEU A 35 -5.381 -13.958 -9.138 1.00 0.00 C ATOM 554 C LEU A 35 -6.100 -14.793 -8.083 1.00 0.00 C ATOM 555 O LEU A 35 -5.604 -15.835 -7.658 1.00 0.00 O ATOM 556 CB LEU A 35 -4.881 -12.652 -8.517 1.00 0.00 C ATOM 557 CG LEU A 35 -3.579 -12.092 -9.090 1.00 0.00 C ATOM 558 CD1 LEU A 35 -3.758 -11.713 -10.552 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.112 -10.892 -8.279 1.00 0.00 C ATOM 0 H LEU A 35 -6.393 -12.683 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.528 -14.528 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.659 -11.897 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.745 -12.810 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.815 -12.867 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.821 -11.316 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.045 -12.595 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.537 -10.955 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.184 -10.506 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.875 -10.114 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.942 -11.195 -7.246 1.00 0.00 H new ATOM 571 N GLY A 36 -7.274 -14.328 -7.666 1.00 0.00 N ATOM 572 CA GLY A 36 -8.043 -15.045 -6.666 1.00 0.00 C ATOM 573 C GLY A 36 -8.390 -14.180 -5.471 1.00 0.00 C ATOM 574 O GLY A 36 -9.547 -14.124 -5.050 1.00 0.00 O ATOM 0 H GLY A 36 -7.706 -13.468 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.961 -15.420 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.476 -15.913 -6.330 1.00 0.00 H new ATOM 578 N LEU A 37 -7.388 -13.504 -4.921 1.00 0.00 N ATOM 579 CA LEU A 37 -7.592 -12.638 -3.765 1.00 0.00 C ATOM 580 C LEU A 37 -8.576 -11.518 -4.090 1.00 0.00 C ATOM 581 O LEU A 37 -8.880 -11.265 -5.256 1.00 0.00 O ATOM 582 CB LEU A 37 -6.259 -12.043 -3.306 1.00 0.00 C ATOM 583 CG LEU A 37 -5.452 -12.888 -2.320 1.00 0.00 C ATOM 584 CD1 LEU A 37 -4.770 -14.042 -3.039 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.426 -12.028 -1.596 1.00 0.00 C ATOM 0 H LEU A 37 -6.426 -13.539 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.010 -13.242 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.643 -11.860 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.455 -11.074 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.137 -13.302 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.200 -14.632 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.523 -14.673 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.097 -13.649 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.861 -12.646 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.745 -11.585 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.937 -11.236 -1.048 1.00 0.00 H new ATOM 597 N SER A 38 -9.069 -10.850 -3.052 1.00 0.00 N ATOM 598 CA SER A 38 -10.020 -9.759 -3.228 1.00 0.00 C ATOM 599 C SER A 38 -9.297 -8.418 -3.320 1.00 0.00 C ATOM 600 O SER A 38 -8.334 -8.152 -2.600 1.00 0.00 O ATOM 601 CB SER A 38 -11.019 -9.733 -2.069 1.00 0.00 C ATOM 602 OG SER A 38 -12.058 -8.801 -2.312 1.00 0.00 O ATOM 0 H SER A 38 -8.826 -11.045 -2.081 1.00 0.00 H new ATOM 0 HA SER A 38 -10.559 -9.927 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.443 -10.727 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.502 -9.473 -1.145 1.00 0.00 H new ATOM 0 HG SER A 38 -12.684 -8.805 -1.558 1.00 0.00 H new ATOM 608 N PRO A 39 -9.771 -7.553 -4.229 1.00 0.00 N ATOM 609 CA PRO A 39 -9.186 -6.225 -4.438 1.00 0.00 C ATOM 610 C PRO A 39 -9.445 -5.286 -3.265 1.00 0.00 C ATOM 611 O PRO A 39 -8.652 -4.384 -2.992 1.00 0.00 O ATOM 612 CB PRO A 39 -9.897 -5.719 -5.695 1.00 0.00 C ATOM 613 CG PRO A 39 -11.193 -6.453 -5.719 1.00 0.00 C ATOM 614 CD PRO A 39 -10.915 -7.804 -5.121 1.00 0.00 C ATOM 0 HA PRO A 39 -8.101 -6.268 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.053 -4.641 -5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.310 -5.923 -6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.953 -5.922 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.569 -6.547 -6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.776 -8.186 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.673 -8.541 -5.887 1.00 0.00 H new ATOM 622 N LYS A 40 -10.558 -5.504 -2.573 1.00 0.00 N ATOM 623 CA LYS A 40 -10.921 -4.679 -1.427 1.00 0.00 C ATOM 624 C LYS A 40 -9.921 -4.858 -0.289 1.00 0.00 C ATOM 625 O LYS A 40 -9.489 -3.886 0.330 1.00 0.00 O ATOM 626 CB LYS A 40 -12.329 -5.032 -0.944 1.00 0.00 C ATOM 627 CG LYS A 40 -12.927 -4.000 -0.004 1.00 0.00 C ATOM 628 CD LYS A 40 -14.426 -4.190 0.154 1.00 0.00 C ATOM 629 CE LYS A 40 -15.175 -3.789 -1.108 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.650 -3.880 -0.930 1.00 0.00 N ATOM 0 H LYS A 40 -11.225 -6.246 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.903 -3.636 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.983 -5.145 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.299 -5.997 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.446 -4.073 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.725 -2.999 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.639 -5.233 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.783 -3.595 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.905 -2.769 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.868 -4.433 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.124 -3.599 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.911 -4.858 -0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.947 -3.247 -0.160 1.00 0.00 H new ATOM 644 N LYS A 41 -9.557 -6.107 -0.019 1.00 0.00 N ATOM 645 CA LYS A 41 -8.606 -6.415 1.042 1.00 0.00 C ATOM 646 C LYS A 41 -7.241 -5.804 0.743 1.00 0.00 C ATOM 647 O LYS A 41 -6.627 -5.178 1.607 1.00 0.00 O ATOM 648 CB LYS A 41 -8.473 -7.930 1.213 1.00 0.00 C ATOM 649 CG LYS A 41 -9.644 -8.565 1.942 1.00 0.00 C ATOM 650 CD LYS A 41 -9.253 -9.887 2.581 1.00 0.00 C ATOM 651 CE LYS A 41 -8.728 -9.690 3.994 1.00 0.00 C ATOM 652 NZ LYS A 41 -7.291 -9.301 4.003 1.00 0.00 N ATOM 0 H LYS A 41 -9.907 -6.923 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.982 -5.983 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.375 -8.391 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.555 -8.146 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.009 -7.883 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.465 -8.726 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.117 -10.551 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.491 -10.375 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.315 -8.921 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.858 -10.611 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.862 -9.579 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.797 -9.780 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.209 -8.271 3.883 1.00 0.00 H new ATOM 666 N VAL A 42 -6.771 -5.990 -0.486 1.00 0.00 N ATOM 667 CA VAL A 42 -5.479 -5.456 -0.900 1.00 0.00 C ATOM 668 C VAL A 42 -5.514 -3.933 -0.979 1.00 0.00 C ATOM 669 O VAL A 42 -4.581 -3.257 -0.547 1.00 0.00 O ATOM 670 CB VAL A 42 -5.050 -6.020 -2.267 1.00 0.00 C ATOM 671 CG1 VAL A 42 -3.745 -5.384 -2.722 1.00 0.00 C ATOM 672 CG2 VAL A 42 -4.920 -7.534 -2.202 1.00 0.00 C ATOM 0 H VAL A 42 -7.266 -6.507 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.754 -5.762 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.820 -5.775 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.458 -5.795 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.877 -4.306 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.964 -5.595 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.616 -7.915 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.171 -7.803 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.880 -7.970 -1.925 1.00 0.00 H new ATOM 682 N GLY A 43 -6.598 -3.400 -1.534 1.00 0.00 N ATOM 683 CA GLY A 43 -6.735 -1.960 -1.659 1.00 0.00 C ATOM 684 C GLY A 43 -6.760 -1.261 -0.315 1.00 0.00 C ATOM 685 O GLY A 43 -6.134 -0.215 -0.139 1.00 0.00 O ATOM 0 H GLY A 43 -7.383 -3.939 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.908 -1.570 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.653 -1.731 -2.201 1.00 0.00 H new ATOM 689 N ASP A 44 -7.486 -1.837 0.637 1.00 0.00 N ATOM 690 CA ASP A 44 -7.591 -1.263 1.973 1.00 0.00 C ATOM 691 C ASP A 44 -6.240 -1.282 2.680 1.00 0.00 C ATOM 692 O ASP A 44 -5.857 -0.312 3.334 1.00 0.00 O ATOM 693 CB ASP A 44 -8.625 -2.027 2.800 1.00 0.00 C ATOM 694 CG ASP A 44 -8.897 -1.369 4.138 1.00 0.00 C ATOM 695 OD1 ASP A 44 -8.695 -0.142 4.247 1.00 0.00 O ATOM 696 OD2 ASP A 44 -9.312 -2.081 5.077 1.00 0.00 O ATOM 0 H ASP A 44 -8.011 -2.702 0.508 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.913 -0.227 1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.556 -2.097 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.274 -3.046 2.964 1.00 0.00 H new ATOM 701 N ASP A 45 -5.523 -2.392 2.545 1.00 0.00 N ATOM 702 CA ASP A 45 -4.214 -2.538 3.172 1.00 0.00 C ATOM 703 C ASP A 45 -3.250 -1.468 2.670 1.00 0.00 C ATOM 704 O ASP A 45 -2.476 -0.904 3.444 1.00 0.00 O ATOM 705 CB ASP A 45 -3.643 -3.929 2.892 1.00 0.00 C ATOM 706 CG ASP A 45 -4.092 -4.955 3.913 1.00 0.00 C ATOM 707 OD1 ASP A 45 -5.312 -5.053 4.159 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.222 -5.660 4.468 1.00 0.00 O ATOM 0 H ASP A 45 -5.826 -3.204 2.007 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.337 -2.415 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.951 -4.252 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.554 -3.878 2.887 1.00 0.00 H new ATOM 713 N ILE A 46 -3.301 -1.194 1.371 1.00 0.00 N ATOM 714 CA ILE A 46 -2.431 -0.192 0.767 1.00 0.00 C ATOM 715 C ILE A 46 -2.725 1.197 1.322 1.00 0.00 C ATOM 716 O ILE A 46 -1.814 1.992 1.548 1.00 0.00 O ATOM 717 CB ILE A 46 -2.585 -0.164 -0.766 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.164 -1.506 -1.367 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.763 0.970 -1.359 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.684 -1.729 -2.770 1.00 0.00 C ATOM 0 H ILE A 46 -3.935 -1.652 0.716 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.407 -0.471 1.016 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.634 0.008 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.076 -1.565 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.520 -2.311 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.882 0.977 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.106 1.920 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.712 0.826 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.347 -2.700 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.774 -1.703 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.307 -0.945 -3.427 1.00 0.00 H new ATOM 732 N ALA A 47 -4.005 1.482 1.541 1.00 0.00 N ATOM 733 CA ALA A 47 -4.419 2.774 2.074 1.00 0.00 C ATOM 734 C ALA A 47 -3.801 3.027 3.445 1.00 0.00 C ATOM 735 O ALA A 47 -3.261 4.102 3.706 1.00 0.00 O ATOM 736 CB ALA A 47 -5.937 2.849 2.155 1.00 0.00 C ATOM 0 H ALA A 47 -4.772 0.836 1.358 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.063 3.550 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.233 3.819 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.361 2.722 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.306 2.059 2.809 1.00 0.00 H new ATOM 742 N LYS A 48 -3.884 2.029 4.319 1.00 0.00 N ATOM 743 CA LYS A 48 -3.332 2.142 5.663 1.00 0.00 C ATOM 744 C LYS A 48 -1.809 2.218 5.622 1.00 0.00 C ATOM 745 O LYS A 48 -1.189 2.880 6.453 1.00 0.00 O ATOM 746 CB LYS A 48 -3.770 0.951 6.518 1.00 0.00 C ATOM 747 CG LYS A 48 -3.212 -0.379 6.041 1.00 0.00 C ATOM 748 CD LYS A 48 -3.102 -1.379 7.180 1.00 0.00 C ATOM 749 CE LYS A 48 -2.499 -2.694 6.711 1.00 0.00 C ATOM 750 NZ LYS A 48 -2.807 -3.810 7.647 1.00 0.00 N ATOM 0 H LYS A 48 -4.329 1.133 4.120 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.712 3.061 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.455 1.119 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.859 0.898 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.855 -0.785 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.229 -0.224 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.487 -0.959 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.090 -1.561 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.881 -2.936 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.418 -2.585 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.379 -4.689 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.420 -3.591 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.838 -3.931 7.716 1.00 0.00 H new ATOM 764 N ALA A 49 -1.213 1.537 4.649 1.00 0.00 N ATOM 765 CA ALA A 49 0.237 1.531 4.498 1.00 0.00 C ATOM 766 C ALA A 49 0.749 2.901 4.066 1.00 0.00 C ATOM 767 O ALA A 49 1.818 3.339 4.493 1.00 0.00 O ATOM 768 CB ALA A 49 0.658 0.467 3.495 1.00 0.00 C ATOM 0 H ALA A 49 -1.712 0.982 3.953 1.00 0.00 H new ATOM 0 HA ALA A 49 0.678 1.296 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.743 0.473 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.333 -0.512 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.200 0.677 2.528 1.00 0.00 H new ATOM 774 N THR A 50 -0.019 3.574 3.215 1.00 0.00 N ATOM 775 CA THR A 50 0.358 4.893 2.724 1.00 0.00 C ATOM 776 C THR A 50 -0.264 5.995 3.574 1.00 0.00 C ATOM 777 O THR A 50 -0.388 7.137 3.133 1.00 0.00 O ATOM 778 CB THR A 50 -0.069 5.090 1.257 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.458 4.779 1.105 1.00 0.00 O ATOM 780 CG2 THR A 50 0.757 4.210 0.331 1.00 0.00 C ATOM 0 H THR A 50 -0.906 3.227 2.851 1.00 0.00 H new ATOM 0 HA THR A 50 1.444 4.956 2.790 1.00 0.00 H new ATOM 0 HB THR A 50 0.101 6.133 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.580 3.807 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.438 4.366 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.811 4.469 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.614 3.164 0.601 1.00 0.00 H new ATOM 788 N GLY A 51 -0.653 5.645 4.796 1.00 0.00 N ATOM 789 CA GLY A 51 -1.257 6.617 5.689 1.00 0.00 C ATOM 790 C GLY A 51 -0.255 7.629 6.209 1.00 0.00 C ATOM 791 O GLY A 51 -0.585 8.800 6.396 1.00 0.00 O ATOM 0 H GLY A 51 -0.561 4.706 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.057 7.139 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.714 6.097 6.531 1.00 0.00 H new ATOM 795 N ASP A 52 0.972 7.177 6.443 1.00 0.00 N ATOM 796 CA ASP A 52 2.026 8.051 6.944 1.00 0.00 C ATOM 797 C ASP A 52 2.500 9.010 5.857 1.00 0.00 C ATOM 798 O ASP A 52 2.969 10.111 6.148 1.00 0.00 O ATOM 799 CB ASP A 52 3.204 7.222 7.459 1.00 0.00 C ATOM 800 CG ASP A 52 3.069 6.875 8.929 1.00 0.00 C ATOM 801 OD1 ASP A 52 2.752 7.783 9.726 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.281 5.696 9.283 1.00 0.00 O ATOM 0 H ASP A 52 1.261 6.210 6.294 1.00 0.00 H new ATOM 0 HA ASP A 52 1.617 8.637 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.280 6.303 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.130 7.776 7.303 1.00 0.00 H new ATOM 807 N TRP A 53 2.376 8.585 4.605 1.00 0.00 N ATOM 808 CA TRP A 53 2.793 9.406 3.474 1.00 0.00 C ATOM 809 C TRP A 53 1.703 9.460 2.409 1.00 0.00 C ATOM 810 O TRP A 53 1.990 9.463 1.212 1.00 0.00 O ATOM 811 CB TRP A 53 4.087 8.858 2.870 1.00 0.00 C ATOM 812 CG TRP A 53 4.164 7.362 2.887 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.681 6.505 1.940 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.757 6.546 3.903 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.939 5.206 2.305 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.599 5.204 3.506 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.409 6.819 5.109 1.00 0.00 C ATOM 818 CZ2 TRP A 53 5.067 4.140 4.272 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.874 5.762 5.869 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.702 4.437 5.448 1.00 0.00 C ATOM 0 H TRP A 53 1.990 7.677 4.347 1.00 0.00 H new ATOM 0 HA TRP A 53 2.970 10.418 3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.176 9.207 1.841 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.936 9.265 3.419 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.171 6.805 1.036 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.681 4.377 1.769 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.547 7.837 5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.934 3.118 3.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.378 5.961 6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.078 3.633 6.064 1.00 0.00 H new ATOM 831 N LYS A 54 0.451 9.502 2.852 1.00 0.00 N ATOM 832 CA LYS A 54 -0.683 9.557 1.938 1.00 0.00 C ATOM 833 C LYS A 54 -0.644 10.831 1.099 1.00 0.00 C ATOM 834 O LYS A 54 -0.198 11.879 1.564 1.00 0.00 O ATOM 835 CB LYS A 54 -1.998 9.489 2.718 1.00 0.00 C ATOM 836 CG LYS A 54 -2.354 10.784 3.426 1.00 0.00 C ATOM 837 CD LYS A 54 -1.787 10.823 4.836 1.00 0.00 C ATOM 838 CE LYS A 54 -2.207 12.087 5.570 1.00 0.00 C ATOM 839 NZ LYS A 54 -3.559 11.952 6.179 1.00 0.00 N ATOM 0 H LYS A 54 0.196 9.499 3.840 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.620 8.699 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.804 9.226 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.932 8.688 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.970 11.629 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.438 10.892 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.127 9.949 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.699 10.770 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.479 12.313 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.204 12.928 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.808 12.834 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.258 11.761 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.556 11.166 6.860 1.00 0.00 H new ATOM 853 N GLY A 55 -1.116 10.733 -0.141 1.00 0.00 N ATOM 854 CA GLY A 55 -1.126 11.884 -1.024 1.00 0.00 C ATOM 855 C GLY A 55 0.155 12.014 -1.823 1.00 0.00 C ATOM 856 O GLY A 55 0.160 12.585 -2.914 1.00 0.00 O ATOM 0 H GLY A 55 -1.491 9.877 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.971 11.805 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.276 12.789 -0.435 1.00 0.00 H new ATOM 860 N LEU A 56 1.245 11.484 -1.280 1.00 0.00 N ATOM 861 CA LEU A 56 2.540 11.544 -1.949 1.00 0.00 C ATOM 862 C LEU A 56 2.713 10.369 -2.907 1.00 0.00 C ATOM 863 O LEU A 56 2.101 9.316 -2.730 1.00 0.00 O ATOM 864 CB LEU A 56 3.670 11.547 -0.918 1.00 0.00 C ATOM 865 CG LEU A 56 3.467 12.454 0.296 1.00 0.00 C ATOM 866 CD1 LEU A 56 4.162 11.873 1.518 1.00 0.00 C ATOM 867 CD2 LEU A 56 3.979 13.857 0.006 1.00 0.00 C ATOM 0 H LEU A 56 1.258 11.008 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 56 2.581 12.468 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.815 10.526 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.591 11.844 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 56 2.399 12.515 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.007 12.532 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.748 10.889 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.230 11.781 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.826 14.488 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.042 13.815 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.436 14.275 -0.842 1.00 0.00 H new ATOM 879 N ARG A 57 3.553 10.557 -3.920 1.00 0.00 N ATOM 880 CA ARG A 57 3.808 9.512 -4.904 1.00 0.00 C ATOM 881 C ARG A 57 4.892 8.557 -4.415 1.00 0.00 C ATOM 882 O ARG A 57 5.995 8.980 -4.066 1.00 0.00 O ATOM 883 CB ARG A 57 4.223 10.131 -6.240 1.00 0.00 C ATOM 884 CG ARG A 57 4.717 9.114 -7.255 1.00 0.00 C ATOM 885 CD ARG A 57 3.573 8.554 -8.086 1.00 0.00 C ATOM 886 NE ARG A 57 4.039 7.988 -9.349 1.00 0.00 N ATOM 887 CZ ARG A 57 4.297 8.715 -10.430 1.00 0.00 C ATOM 888 NH1 ARG A 57 4.135 10.031 -10.401 1.00 0.00 N ATOM 889 NH2 ARG A 57 4.718 8.127 -11.542 1.00 0.00 N ATOM 0 H ARG A 57 4.068 11.423 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 57 2.887 8.947 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.374 10.669 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.009 10.865 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.451 9.581 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.225 8.300 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.053 7.785 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.851 9.345 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 57 4.174 6.978 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.812 10.486 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.334 10.588 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.844 7.115 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.916 8.687 -12.371 1.00 0.00 H new ATOM 903 N ILE A 58 4.572 7.267 -4.393 1.00 0.00 N ATOM 904 CA ILE A 58 5.519 6.253 -3.947 1.00 0.00 C ATOM 905 C ILE A 58 5.371 4.969 -4.757 1.00 0.00 C ATOM 906 O ILE A 58 4.303 4.684 -5.300 1.00 0.00 O ATOM 907 CB ILE A 58 5.335 5.929 -2.453 1.00 0.00 C ATOM 908 CG1 ILE A 58 3.865 5.632 -2.150 1.00 0.00 C ATOM 909 CG2 ILE A 58 5.836 7.081 -1.595 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.501 4.171 -2.295 1.00 0.00 C ATOM 0 H ILE A 58 3.664 6.900 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 58 6.517 6.664 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 58 5.922 5.042 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.640 5.955 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.238 6.222 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.699 6.837 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.894 7.249 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.274 7.984 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.444 4.035 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.694 3.848 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.102 3.576 -1.607 1.00 0.00 H new ATOM 922 N THR A 59 6.450 4.196 -4.832 1.00 0.00 N ATOM 923 CA THR A 59 6.440 2.942 -5.575 1.00 0.00 C ATOM 924 C THR A 59 6.095 1.767 -4.666 1.00 0.00 C ATOM 925 O THR A 59 6.736 1.557 -3.636 1.00 0.00 O ATOM 926 CB THR A 59 7.802 2.675 -6.244 1.00 0.00 C ATOM 927 OG1 THR A 59 8.166 3.784 -7.073 1.00 0.00 O ATOM 928 CG2 THR A 59 7.754 1.405 -7.081 1.00 0.00 C ATOM 0 H THR A 59 7.341 4.416 -4.388 1.00 0.00 H new ATOM 0 HA THR A 59 5.676 3.038 -6.347 1.00 0.00 H new ATOM 0 HB THR A 59 8.548 2.547 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.034 3.607 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.727 1.237 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.505 0.558 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.996 1.509 -7.858 1.00 0.00 H new ATOM 936 N VAL A 60 5.079 1.004 -5.054 1.00 0.00 N ATOM 937 CA VAL A 60 4.649 -0.151 -4.274 1.00 0.00 C ATOM 938 C VAL A 60 4.677 -1.423 -5.115 1.00 0.00 C ATOM 939 O VAL A 60 4.098 -1.476 -6.200 1.00 0.00 O ATOM 940 CB VAL A 60 3.229 0.048 -3.712 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.788 -1.180 -2.929 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.171 1.294 -2.841 1.00 0.00 C ATOM 0 H VAL A 60 4.538 1.164 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 60 5.349 -0.251 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 60 2.542 0.184 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.782 -1.021 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.790 -2.050 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.476 -1.349 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.160 1.419 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.869 1.190 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.442 2.166 -3.436 1.00 0.00 H new ATOM 952 N LYS A 61 5.354 -2.447 -4.607 1.00 0.00 N ATOM 953 CA LYS A 61 5.457 -3.721 -5.309 1.00 0.00 C ATOM 954 C LYS A 61 4.522 -4.758 -4.694 1.00 0.00 C ATOM 955 O LYS A 61 4.449 -4.896 -3.472 1.00 0.00 O ATOM 956 CB LYS A 61 6.899 -4.232 -5.271 1.00 0.00 C ATOM 957 CG LYS A 61 7.249 -4.970 -3.990 1.00 0.00 C ATOM 958 CD LYS A 61 8.602 -5.653 -4.093 1.00 0.00 C ATOM 959 CE LYS A 61 8.738 -6.776 -3.076 1.00 0.00 C ATOM 960 NZ LYS A 61 9.013 -6.256 -1.708 1.00 0.00 N ATOM 0 H LYS A 61 5.840 -2.420 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 61 5.162 -3.561 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.063 -4.896 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.578 -3.388 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.257 -4.269 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.481 -5.713 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.733 -6.053 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.394 -4.920 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.822 -7.366 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.544 -7.445 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.762 -6.825 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.322 -5.265 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.148 -6.315 -1.134 1.00 0.00 H new ATOM 974 N LEU A 62 3.811 -5.486 -5.548 1.00 0.00 N ATOM 975 CA LEU A 62 2.882 -6.512 -5.089 1.00 0.00 C ATOM 976 C LEU A 62 3.478 -7.905 -5.265 1.00 0.00 C ATOM 977 O LEU A 62 3.784 -8.325 -6.382 1.00 0.00 O ATOM 978 CB LEU A 62 1.560 -6.411 -5.853 1.00 0.00 C ATOM 979 CG LEU A 62 0.849 -5.059 -5.785 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.141 -4.919 -6.931 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.144 -4.893 -4.447 1.00 0.00 C ATOM 0 H LEU A 62 3.860 -5.385 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 62 2.695 -6.348 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.749 -6.648 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.883 -7.175 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 62 1.597 -4.272 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.638 -3.951 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.389 -4.992 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.885 -5.713 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.356 -3.925 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.593 -5.686 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.876 -4.948 -3.641 1.00 0.00 H new ATOM 993 N THR A 63 3.640 -8.619 -4.155 1.00 0.00 N ATOM 994 CA THR A 63 4.198 -9.965 -4.187 1.00 0.00 C ATOM 995 C THR A 63 3.178 -10.995 -3.716 1.00 0.00 C ATOM 996 O THR A 63 2.728 -10.957 -2.571 1.00 0.00 O ATOM 997 CB THR A 63 5.460 -10.070 -3.309 1.00 0.00 C ATOM 998 OG1 THR A 63 6.329 -8.962 -3.567 1.00 0.00 O ATOM 999 CG2 THR A 63 6.197 -11.374 -3.577 1.00 0.00 C ATOM 0 H THR A 63 3.393 -8.287 -3.223 1.00 0.00 H new ATOM 0 HA THR A 63 4.466 -10.172 -5.223 1.00 0.00 H new ATOM 0 HB THR A 63 5.152 -10.053 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.234 -9.291 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.084 -11.427 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.541 -12.215 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.494 -11.415 -4.625 1.00 0.00 H new ATOM 1007 N ILE A 64 2.817 -11.914 -4.606 1.00 0.00 N ATOM 1008 CA ILE A 64 1.851 -12.955 -4.279 1.00 0.00 C ATOM 1009 C ILE A 64 2.545 -14.290 -4.032 1.00 0.00 C ATOM 1010 O ILE A 64 3.372 -14.728 -4.831 1.00 0.00 O ATOM 1011 CB ILE A 64 0.811 -13.130 -5.402 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.038 -11.864 -5.542 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.071 -14.337 -5.123 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -0.648 -11.399 -4.238 1.00 0.00 C ATOM 0 H ILE A 64 3.179 -11.958 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 64 1.341 -12.639 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 64 1.337 -13.298 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.581 -11.065 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.836 -12.049 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.801 -14.448 -5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.546 -15.234 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.592 -14.196 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.236 -10.498 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.293 -12.182 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.145 -11.182 -3.522 1.00 0.00 H new ATOM 1026 N GLN A 65 2.200 -14.933 -2.921 1.00 0.00 N ATOM 1027 CA GLN A 65 2.789 -16.220 -2.569 1.00 0.00 C ATOM 1028 C GLN A 65 1.783 -17.095 -1.829 1.00 0.00 C ATOM 1029 O GLN A 65 1.036 -16.615 -0.978 1.00 0.00 O ATOM 1030 CB GLN A 65 4.036 -16.015 -1.707 1.00 0.00 C ATOM 1031 CG GLN A 65 5.320 -15.900 -2.513 1.00 0.00 C ATOM 1032 CD GLN A 65 6.370 -15.055 -1.819 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.640 -15.232 -0.630 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.970 -14.131 -2.559 1.00 0.00 N ATOM 0 H GLN A 65 1.516 -14.584 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 65 3.073 -16.726 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.910 -15.112 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.127 -16.849 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.722 -16.897 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.095 -15.466 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.715 -14.019 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.686 -13.533 -2.146 1.00 0.00 H new ATOM 1043 N ASN A 66 1.769 -18.382 -2.161 1.00 0.00 N ATOM 1044 CA ASN A 66 0.854 -19.325 -1.528 1.00 0.00 C ATOM 1045 C ASN A 66 -0.522 -18.696 -1.327 1.00 0.00 C ATOM 1046 O ASN A 66 -1.176 -18.921 -0.309 1.00 0.00 O ATOM 1047 CB ASN A 66 1.416 -19.788 -0.182 1.00 0.00 C ATOM 1048 CG ASN A 66 1.036 -18.859 0.954 1.00 0.00 C ATOM 1049 OD1 ASN A 66 0.106 -19.134 1.712 1.00 0.00 O ATOM 1050 ND2 ASN A 66 1.758 -17.751 1.077 1.00 0.00 N ATOM 0 H ASN A 66 2.381 -18.796 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 66 0.748 -20.187 -2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.050 -20.792 0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.502 -19.852 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.550 -17.087 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.520 -17.564 0.425 1.00 0.00 H new ATOM 1057 N ARG A 67 -0.954 -17.907 -2.306 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.251 -17.245 -2.237 1.00 0.00 C ATOM 1059 C ARG A 67 -2.267 -16.194 -1.130 1.00 0.00 C ATOM 1060 O ARG A 67 -3.233 -16.091 -0.374 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.359 -18.272 -1.996 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.339 -19.431 -2.978 1.00 0.00 C ATOM 1063 CD ARG A 67 -4.149 -19.119 -4.227 1.00 0.00 C ATOM 1064 NE ARG A 67 -3.980 -20.139 -5.258 1.00 0.00 N ATOM 1065 CZ ARG A 67 -4.569 -21.329 -5.219 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.361 -21.647 -4.205 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -4.365 -22.203 -6.196 1.00 0.00 N ATOM 0 H ARG A 67 -0.425 -17.711 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.428 -16.747 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.266 -18.664 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.326 -17.772 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.309 -19.654 -3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.740 -20.323 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.204 -19.040 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.846 -18.150 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.376 -19.926 -6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.519 -20.977 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.812 -22.561 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.756 -21.961 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.817 -23.117 -6.166 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.192 -15.418 -1.042 1.00 0.00 N ATOM 1082 CA GLN A 68 -1.083 -14.377 -0.027 1.00 0.00 C ATOM 1083 C GLN A 68 -0.606 -13.065 -0.642 1.00 0.00 C ATOM 1084 O GLN A 68 0.292 -13.053 -1.483 1.00 0.00 O ATOM 1085 CB GLN A 68 -0.122 -14.814 1.080 1.00 0.00 C ATOM 1086 CG GLN A 68 -0.646 -15.967 1.921 1.00 0.00 C ATOM 1087 CD GLN A 68 0.028 -16.055 3.276 1.00 0.00 C ATOM 1088 OE1 GLN A 68 0.699 -17.040 3.585 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -0.147 -15.023 4.092 1.00 0.00 N ATOM 0 H GLN A 68 -0.384 -15.490 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.072 -14.218 0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.828 -15.105 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.080 -13.963 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.721 -15.850 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.494 -16.903 1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.711 -14.227 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.283 -15.026 5.017 1.00 0.00 H new ATOM 1098 N ALA A 69 -1.215 -11.963 -0.217 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.852 -10.646 -0.725 1.00 0.00 C ATOM 1100 C ALA A 69 -0.047 -9.863 0.307 1.00 0.00 C ATOM 1101 O ALA A 69 -0.404 -9.822 1.484 1.00 0.00 O ATOM 1102 CB ALA A 69 -2.100 -9.871 -1.123 1.00 0.00 C ATOM 0 H ALA A 69 -1.962 -11.956 0.478 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.227 -10.783 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.814 -8.889 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.635 -10.417 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.746 -9.751 -0.254 1.00 0.00 H new ATOM 1108 N GLN A 70 1.040 -9.244 -0.143 1.00 0.00 N ATOM 1109 CA GLN A 70 1.895 -8.463 0.743 1.00 0.00 C ATOM 1110 C GLN A 70 2.356 -7.179 0.062 1.00 0.00 C ATOM 1111 O GLN A 70 2.770 -7.194 -1.098 1.00 0.00 O ATOM 1112 CB GLN A 70 3.108 -9.289 1.173 1.00 0.00 C ATOM 1113 CG GLN A 70 2.772 -10.396 2.160 1.00 0.00 C ATOM 1114 CD GLN A 70 4.003 -11.115 2.673 1.00 0.00 C ATOM 1115 OE1 GLN A 70 4.530 -12.014 2.016 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.470 -10.723 3.853 1.00 0.00 N ATOM 0 H GLN A 70 1.349 -9.268 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 70 1.314 -8.196 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.569 -9.730 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.848 -8.626 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.226 -9.972 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.109 -11.116 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.002 -9.974 4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.297 -11.171 4.249 1.00 0.00 H new ATOM 1125 N ILE A 71 2.281 -6.069 0.789 1.00 0.00 N ATOM 1126 CA ILE A 71 2.691 -4.777 0.255 1.00 0.00 C ATOM 1127 C ILE A 71 3.904 -4.233 1.001 1.00 0.00 C ATOM 1128 O ILE A 71 3.974 -4.305 2.227 1.00 0.00 O ATOM 1129 CB ILE A 71 1.549 -3.746 0.336 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.039 -3.630 1.773 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.417 -4.135 -0.604 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.044 -2.507 1.973 1.00 0.00 C ATOM 0 H ILE A 71 1.940 -6.039 1.750 1.00 0.00 H new ATOM 0 HA ILE A 71 2.952 -4.937 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 71 1.934 -2.774 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.574 -4.572 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.887 -3.476 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.382 -3.397 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.790 -4.172 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.031 -5.115 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.275 -2.484 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.512 -1.557 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.823 -2.670 1.332 1.00 0.00 H new ATOM 1144 N GLU A 72 4.858 -3.689 0.252 1.00 0.00 N ATOM 1145 CA GLU A 72 6.069 -3.132 0.844 1.00 0.00 C ATOM 1146 C GLU A 72 6.543 -1.909 0.064 1.00 0.00 C ATOM 1147 O GLU A 72 6.447 -1.865 -1.162 1.00 0.00 O ATOM 1148 CB GLU A 72 7.177 -4.187 0.881 1.00 0.00 C ATOM 1149 CG GLU A 72 8.514 -3.649 1.363 1.00 0.00 C ATOM 1150 CD GLU A 72 8.472 -3.196 2.809 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.512 -4.064 3.705 1.00 0.00 O ATOM 1152 OE2 GLU A 72 8.401 -1.971 3.044 1.00 0.00 O ATOM 0 H GLU A 72 4.816 -3.622 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 72 5.836 -2.824 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.867 -5.004 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.302 -4.606 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.275 -4.422 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.814 -2.812 0.732 1.00 0.00 H new ATOM 1159 N VAL A 73 7.053 -0.916 0.786 1.00 0.00 N ATOM 1160 CA VAL A 73 7.542 0.309 0.163 1.00 0.00 C ATOM 1161 C VAL A 73 9.037 0.220 -0.123 1.00 0.00 C ATOM 1162 O VAL A 73 9.826 -0.150 0.746 1.00 0.00 O ATOM 1163 CB VAL A 73 7.273 1.537 1.053 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.808 2.800 0.395 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.786 1.667 1.345 1.00 0.00 C ATOM 0 H VAL A 73 7.138 -0.936 1.802 1.00 0.00 H new ATOM 0 HA VAL A 73 7.001 0.425 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 73 7.795 1.400 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.609 3.657 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.883 2.703 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.316 2.946 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.614 2.540 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.240 1.782 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.437 0.773 1.861 1.00 0.00 H new ATOM 1175 N VAL A 74 9.421 0.562 -1.349 1.00 0.00 N ATOM 1176 CA VAL A 74 10.822 0.523 -1.751 1.00 0.00 C ATOM 1177 C VAL A 74 11.570 1.756 -1.256 1.00 0.00 C ATOM 1178 O VAL A 74 11.030 2.862 -1.207 1.00 0.00 O ATOM 1179 CB VAL A 74 10.964 0.430 -3.282 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.377 -0.877 -3.794 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.299 1.622 -3.952 1.00 0.00 C ATOM 0 H VAL A 74 8.781 0.869 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 74 11.257 -0.368 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 74 12.025 0.447 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.486 -0.925 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.904 -1.716 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.320 -0.928 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.409 1.540 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.240 1.639 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.771 2.543 -3.608 1.00 0.00 H new ATOM 1191 N PRO A 75 12.843 1.565 -0.881 1.00 0.00 N ATOM 1192 CA PRO A 75 13.694 2.651 -0.385 1.00 0.00 C ATOM 1193 C PRO A 75 14.063 3.645 -1.480 1.00 0.00 C ATOM 1194 O PRO A 75 14.589 3.265 -2.526 1.00 0.00 O ATOM 1195 CB PRO A 75 14.942 1.921 0.118 1.00 0.00 C ATOM 1196 CG PRO A 75 14.984 0.656 -0.668 1.00 0.00 C ATOM 1197 CD PRO A 75 13.551 0.274 -0.914 1.00 0.00 C ATOM 0 HA PRO A 75 13.193 3.245 0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.841 2.517 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.879 1.721 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.517 0.798 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.508 -0.127 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.428 -0.227 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.180 -0.408 -0.149 1.00 0.00 H new ATOM 1205 N SER A 76 13.784 4.921 -1.233 1.00 0.00 N ATOM 1206 CA SER A 76 14.084 5.970 -2.200 1.00 0.00 C ATOM 1207 C SER A 76 14.975 7.042 -1.580 1.00 0.00 C ATOM 1208 O SER A 76 14.657 7.597 -0.528 1.00 0.00 O ATOM 1209 CB SER A 76 12.790 6.602 -2.717 1.00 0.00 C ATOM 1210 OG SER A 76 12.972 7.154 -4.009 1.00 0.00 O ATOM 0 H SER A 76 13.351 5.253 -0.371 1.00 0.00 H new ATOM 0 HA SER A 76 14.618 5.518 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.001 5.850 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.462 7.381 -2.029 1.00 0.00 H new ATOM 0 HG SER A 76 12.130 7.550 -4.317 1.00 0.00 H new ATOM 1216 N ALA A 77 16.092 7.329 -2.240 1.00 0.00 N ATOM 1217 CA ALA A 77 17.029 8.336 -1.756 1.00 0.00 C ATOM 1218 C ALA A 77 16.768 9.688 -2.410 1.00 0.00 C ATOM 1219 O ALA A 77 17.442 10.066 -3.368 1.00 0.00 O ATOM 1220 CB ALA A 77 18.461 7.891 -2.013 1.00 0.00 C ATOM 0 H ALA A 77 16.370 6.878 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 77 16.882 8.447 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.150 8.652 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 77 18.649 6.951 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.612 7.750 -3.083 1.00 0.00 H new ATOM 1226 N SER A 78 15.784 10.413 -1.886 1.00 0.00 N ATOM 1227 CA SER A 78 15.431 11.723 -2.423 1.00 0.00 C ATOM 1228 C SER A 78 16.272 12.819 -1.776 1.00 0.00 C ATOM 1229 O SER A 78 17.057 13.490 -2.444 1.00 0.00 O ATOM 1230 CB SER A 78 13.944 12.005 -2.198 1.00 0.00 C ATOM 1231 OG SER A 78 13.590 13.289 -2.681 1.00 0.00 O ATOM 0 H SER A 78 15.218 10.116 -1.091 1.00 0.00 H new ATOM 0 HA SER A 78 15.635 11.717 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.346 11.246 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.715 11.937 -1.135 1.00 0.00 H new ATOM 0 HG SER A 78 12.635 13.444 -2.527 1.00 0.00 H new ATOM 1237 N ALA A 79 16.099 12.996 -0.470 1.00 0.00 N ATOM 1238 CA ALA A 79 16.842 14.009 0.269 1.00 0.00 C ATOM 1239 C ALA A 79 17.402 13.440 1.568 1.00 0.00 C ATOM 1240 O ALA A 79 17.377 14.100 2.608 1.00 0.00 O ATOM 1241 CB ALA A 79 15.954 15.210 0.556 1.00 0.00 C ATOM 0 H ALA A 79 15.451 12.451 0.098 1.00 0.00 H new ATOM 0 HA ALA A 79 17.681 14.331 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.522 15.959 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.607 15.639 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.096 14.895 1.150 1.00 0.00 H new ATOM 1247 N LEU A 80 17.907 12.213 1.503 1.00 0.00 N ATOM 1248 CA LEU A 80 18.473 11.555 2.675 1.00 0.00 C ATOM 1249 C LEU A 80 19.979 11.789 2.757 1.00 0.00 C ATOM 1250 O LEU A 80 20.743 10.875 3.066 1.00 0.00 O ATOM 1251 CB LEU A 80 18.181 10.055 2.633 1.00 0.00 C ATOM 1252 CG LEU A 80 16.727 9.662 2.368 1.00 0.00 C ATOM 1253 CD1 LEU A 80 16.613 8.163 2.135 1.00 0.00 C ATOM 1254 CD2 LEU A 80 15.838 10.092 3.526 1.00 0.00 C ATOM 0 H LEU A 80 17.936 11.654 0.651 1.00 0.00 H new ATOM 0 HA LEU A 80 18.008 11.985 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.805 9.605 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.487 9.619 3.584 1.00 0.00 H new ATOM 0 HG LEU A 80 16.391 10.176 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.571 7.902 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.218 7.882 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.968 7.630 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.807 9.804 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.174 9.607 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.895 11.174 3.646 1.00 0.00 H new ATOM 1266 N SER A 81 20.397 13.020 2.481 1.00 0.00 N ATOM 1267 CA SER A 81 21.811 13.374 2.522 1.00 0.00 C ATOM 1268 C SER A 81 22.372 13.210 3.931 1.00 0.00 C ATOM 1269 O SER A 81 22.310 14.128 4.747 1.00 0.00 O ATOM 1270 CB SER A 81 22.012 14.814 2.046 1.00 0.00 C ATOM 1271 OG SER A 81 23.291 14.984 1.459 1.00 0.00 O ATOM 0 H SER A 81 19.777 13.789 2.227 1.00 0.00 H new ATOM 0 HA SER A 81 22.348 12.700 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.239 15.072 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.901 15.497 2.888 1.00 0.00 H new ATOM 0 HG SER A 81 23.394 15.912 1.162 1.00 0.00 H new ATOM 1277 N GLY A 82 22.919 12.031 4.209 1.00 0.00 N ATOM 1278 CA GLY A 82 23.483 11.765 5.520 1.00 0.00 C ATOM 1279 C GLY A 82 22.819 10.591 6.210 1.00 0.00 C ATOM 1280 O GLY A 82 23.298 9.458 6.154 1.00 0.00 O ATOM 0 H GLY A 82 22.982 11.255 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 24.550 11.567 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 82 23.381 12.654 6.143 1.00 0.00 H new ATOM 1284 N PRO A 83 21.688 10.856 6.882 1.00 0.00 N ATOM 1285 CA PRO A 83 20.934 9.825 7.600 1.00 0.00 C ATOM 1286 C PRO A 83 20.256 8.839 6.655 1.00 0.00 C ATOM 1287 O PRO A 83 20.110 9.107 5.462 1.00 0.00 O ATOM 1288 CB PRO A 83 19.886 10.628 8.376 1.00 0.00 C ATOM 1289 CG PRO A 83 19.715 11.883 7.592 1.00 0.00 C ATOM 1290 CD PRO A 83 21.060 12.184 6.991 1.00 0.00 C ATOM 0 HA PRO A 83 21.579 9.215 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.947 10.080 8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.220 10.838 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.960 11.758 6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.382 12.700 8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 83 20.967 12.666 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 83 21.642 12.854 7.624 1.00 0.00 H new ATOM 1298 N SER A 84 19.844 7.696 7.195 1.00 0.00 N ATOM 1299 CA SER A 84 19.185 6.668 6.399 1.00 0.00 C ATOM 1300 C SER A 84 18.087 5.979 7.203 1.00 0.00 C ATOM 1301 O SER A 84 17.986 6.157 8.417 1.00 0.00 O ATOM 1302 CB SER A 84 20.205 5.635 5.916 1.00 0.00 C ATOM 1303 OG SER A 84 21.283 6.259 5.242 1.00 0.00 O ATOM 0 H SER A 84 19.955 7.459 8.181 1.00 0.00 H new ATOM 0 HA SER A 84 18.729 7.150 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.583 5.068 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.718 4.923 5.249 1.00 0.00 H new ATOM 0 HG SER A 84 21.921 5.577 4.945 1.00 0.00 H new ATOM 1309 N SER A 85 17.265 5.191 6.516 1.00 0.00 N ATOM 1310 CA SER A 85 16.171 4.477 7.165 1.00 0.00 C ATOM 1311 C SER A 85 16.150 3.013 6.739 1.00 0.00 C ATOM 1312 O SER A 85 15.795 2.132 7.521 1.00 0.00 O ATOM 1313 CB SER A 85 14.833 5.137 6.828 1.00 0.00 C ATOM 1314 OG SER A 85 14.670 5.275 5.427 1.00 0.00 O ATOM 0 H SER A 85 17.336 5.031 5.511 1.00 0.00 H new ATOM 0 HA SER A 85 16.329 4.522 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.017 4.540 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.778 6.117 7.302 1.00 0.00 H new ATOM 0 HG SER A 85 13.806 5.698 5.238 1.00 0.00 H new ATOM 1320 N GLY A 86 16.535 2.760 5.491 1.00 0.00 N ATOM 1321 CA GLY A 86 16.553 1.401 4.982 1.00 0.00 C ATOM 1322 C GLY A 86 17.896 1.022 4.389 1.00 0.00 C ATOM 1323 O GLY A 86 18.618 1.876 3.875 1.00 0.00 O ATOM 0 H GLY A 86 16.834 3.472 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 86 16.308 0.711 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.779 1.291 4.222 1.00 0.00 H new TER 1327 GLY A 86