USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 68 SER OG : rot 180:sc=-0.00857 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -127:sc= -0.151 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.85! C(o=-3.1!,f=-1.8!) USER MOD Single : A 24 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.61) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0131 USER MOD Single : A 29 ASN : amide:sc= -0.978 K(o=-0.98,f=-1.9) USER MOD Single : A 30 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.44) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -127:sc= -4.24! (180deg=-7.13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -150:sc= 0.227 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.65 F(o=-3.4!,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.421 F(o=-1.4!,f=-0.42) USER MOD Single : A 57 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 81:sc= 0.336 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.600 8.059 -23.555 1.00 0.00 N ATOM 2 CA GLY A 1 12.465 7.521 -24.588 1.00 0.00 C ATOM 3 C GLY A 1 11.877 7.678 -25.976 1.00 0.00 C ATOM 4 O GLY A 1 10.710 8.041 -26.126 1.00 0.00 O ATOM 0 H1 GLY A 1 12.059 8.879 -23.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.697 8.355 -23.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.422 7.329 -22.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.431 8.024 -24.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.647 6.464 -24.391 1.00 0.00 H new ATOM 8 N SER A 2 12.687 7.406 -26.995 1.00 0.00 N ATOM 9 CA SER A 2 12.241 7.524 -28.378 1.00 0.00 C ATOM 10 C SER A 2 11.078 6.577 -28.657 1.00 0.00 C ATOM 11 O SER A 2 10.971 5.512 -28.050 1.00 0.00 O ATOM 12 CB SER A 2 13.397 7.227 -29.336 1.00 0.00 C ATOM 13 OG SER A 2 14.366 8.261 -29.302 1.00 0.00 O ATOM 0 H SER A 2 13.655 7.103 -26.888 1.00 0.00 H new ATOM 0 HA SER A 2 11.900 8.547 -28.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.863 6.279 -29.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.014 7.117 -30.350 1.00 0.00 H new ATOM 0 HG SER A 2 15.095 8.047 -29.921 1.00 0.00 H new ATOM 19 N SER A 3 10.209 6.974 -29.582 1.00 0.00 N ATOM 20 CA SER A 3 9.051 6.163 -29.940 1.00 0.00 C ATOM 21 C SER A 3 9.431 5.095 -30.962 1.00 0.00 C ATOM 22 O SER A 3 9.571 5.380 -32.151 1.00 0.00 O ATOM 23 CB SER A 3 7.936 7.048 -30.500 1.00 0.00 C ATOM 24 OG SER A 3 6.879 6.264 -31.026 1.00 0.00 O ATOM 0 H SER A 3 10.285 7.851 -30.096 1.00 0.00 H new ATOM 0 HA SER A 3 8.693 5.667 -29.038 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.554 7.699 -29.713 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.337 7.694 -31.281 1.00 0.00 H new ATOM 0 HG SER A 3 6.178 6.853 -31.376 1.00 0.00 H new ATOM 30 N GLY A 4 9.596 3.864 -30.489 1.00 0.00 N ATOM 31 CA GLY A 4 9.958 2.772 -31.374 1.00 0.00 C ATOM 32 C GLY A 4 8.910 1.676 -31.401 1.00 0.00 C ATOM 33 O GLY A 4 8.576 1.154 -32.465 1.00 0.00 O ATOM 0 H GLY A 4 9.486 3.603 -29.509 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.101 3.158 -32.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.912 2.351 -31.055 1.00 0.00 H new ATOM 37 N SER A 5 8.392 1.326 -30.228 1.00 0.00 N ATOM 38 CA SER A 5 7.380 0.281 -30.122 1.00 0.00 C ATOM 39 C SER A 5 6.049 0.754 -30.698 1.00 0.00 C ATOM 40 O SER A 5 5.873 1.935 -30.996 1.00 0.00 O ATOM 41 CB SER A 5 7.197 -0.134 -28.660 1.00 0.00 C ATOM 42 OG SER A 5 8.176 -1.082 -28.273 1.00 0.00 O ATOM 0 H SER A 5 8.656 1.750 -29.339 1.00 0.00 H new ATOM 0 HA SER A 5 7.720 -0.580 -30.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.263 0.745 -28.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.202 -0.556 -28.520 1.00 0.00 H new ATOM 0 HG SER A 5 7.947 -1.448 -27.393 1.00 0.00 H new ATOM 48 N SER A 6 5.114 -0.179 -30.852 1.00 0.00 N ATOM 49 CA SER A 6 3.799 0.140 -31.397 1.00 0.00 C ATOM 50 C SER A 6 2.904 0.758 -30.327 1.00 0.00 C ATOM 51 O SER A 6 2.326 1.826 -30.527 1.00 0.00 O ATOM 52 CB SER A 6 3.140 -1.119 -31.965 1.00 0.00 C ATOM 53 OG SER A 6 3.961 -1.725 -32.948 1.00 0.00 O ATOM 0 H SER A 6 5.243 -1.161 -30.607 1.00 0.00 H new ATOM 0 HA SER A 6 3.931 0.866 -32.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.948 -1.828 -31.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.174 -0.863 -32.401 1.00 0.00 H new ATOM 0 HG SER A 6 3.519 -2.528 -33.294 1.00 0.00 H new ATOM 59 N GLY A 7 2.794 0.078 -29.191 1.00 0.00 N ATOM 60 CA GLY A 7 1.967 0.574 -28.106 1.00 0.00 C ATOM 61 C GLY A 7 0.883 -0.408 -27.707 1.00 0.00 C ATOM 62 O GLY A 7 0.911 -1.572 -28.107 1.00 0.00 O ATOM 0 H GLY A 7 3.263 -0.808 -29.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.596 0.787 -27.242 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.507 1.516 -28.405 1.00 0.00 H new ATOM 66 N LYS A 8 -0.075 0.061 -26.915 1.00 0.00 N ATOM 67 CA LYS A 8 -1.174 -0.782 -26.460 1.00 0.00 C ATOM 68 C LYS A 8 -0.652 -1.974 -25.665 1.00 0.00 C ATOM 69 O LYS A 8 -1.062 -3.112 -25.893 1.00 0.00 O ATOM 70 CB LYS A 8 -1.995 -1.273 -27.655 1.00 0.00 C ATOM 71 CG LYS A 8 -3.451 -1.546 -27.321 1.00 0.00 C ATOM 72 CD LYS A 8 -4.311 -0.310 -27.523 1.00 0.00 C ATOM 73 CE LYS A 8 -4.627 -0.084 -28.993 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.937 1.343 -29.281 1.00 0.00 N ATOM 0 H LYS A 8 -0.112 1.022 -26.575 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.812 -0.185 -25.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.947 -0.528 -28.449 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.543 -2.185 -28.045 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.823 -2.356 -27.948 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.531 -1.881 -26.287 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.240 -0.416 -26.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.795 0.563 -27.122 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.779 -0.401 -29.600 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.475 -0.705 -29.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.147 1.455 -30.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.762 1.639 -28.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.119 1.934 -29.030 1.00 0.00 H new ATOM 88 N ARG A 9 0.253 -1.705 -24.730 1.00 0.00 N ATOM 89 CA ARG A 9 0.831 -2.755 -23.900 1.00 0.00 C ATOM 90 C ARG A 9 -0.114 -3.131 -22.763 1.00 0.00 C ATOM 91 O ARG A 9 -0.765 -2.280 -22.156 1.00 0.00 O ATOM 92 CB ARG A 9 2.177 -2.303 -23.331 1.00 0.00 C ATOM 93 CG ARG A 9 3.146 -3.446 -23.078 1.00 0.00 C ATOM 94 CD ARG A 9 4.553 -2.935 -22.810 1.00 0.00 C ATOM 95 NE ARG A 9 5.174 -2.385 -24.012 1.00 0.00 N ATOM 96 CZ ARG A 9 6.283 -1.654 -23.998 1.00 0.00 C ATOM 97 NH1 ARG A 9 6.891 -1.388 -22.850 1.00 0.00 N ATOM 98 NH2 ARG A 9 6.787 -1.189 -25.134 1.00 0.00 N ATOM 0 H ARG A 9 0.602 -0.768 -24.528 1.00 0.00 H new ATOM 0 HA ARG A 9 0.986 -3.634 -24.526 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.635 -1.596 -24.022 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.006 -1.769 -22.396 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.803 -4.034 -22.226 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.158 -4.112 -23.941 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.519 -2.168 -22.036 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.167 -3.749 -22.425 1.00 0.00 H new ATOM 0 HE ARG A 9 4.732 -2.573 -24.912 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.507 -1.745 -21.975 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.742 -0.826 -22.842 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.323 -1.393 -26.019 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.639 -0.628 -25.122 1.00 0.00 H new ATOM 112 N PRO A 10 -0.194 -4.437 -22.466 1.00 0.00 N ATOM 113 CA PRO A 10 -1.057 -4.955 -21.400 1.00 0.00 C ATOM 114 C PRO A 10 -0.558 -4.570 -20.012 1.00 0.00 C ATOM 115 O PRO A 10 0.590 -4.840 -19.657 1.00 0.00 O ATOM 116 CB PRO A 10 -0.985 -6.472 -21.592 1.00 0.00 C ATOM 117 CG PRO A 10 0.321 -6.707 -22.271 1.00 0.00 C ATOM 118 CD PRO A 10 0.553 -5.507 -23.148 1.00 0.00 C ATOM 0 HA PRO A 10 -2.067 -4.551 -21.461 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.034 -6.995 -20.637 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.816 -6.834 -22.197 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.125 -6.820 -21.543 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.295 -7.623 -22.861 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.613 -5.268 -23.230 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.185 -5.672 -24.161 1.00 0.00 H new ATOM 126 N ARG A 11 -1.427 -3.938 -19.230 1.00 0.00 N ATOM 127 CA ARG A 11 -1.074 -3.515 -17.880 1.00 0.00 C ATOM 128 C ARG A 11 -2.313 -3.440 -16.992 1.00 0.00 C ATOM 129 O ARG A 11 -3.306 -2.802 -17.345 1.00 0.00 O ATOM 130 CB ARG A 11 -0.376 -2.155 -17.915 1.00 0.00 C ATOM 131 CG ARG A 11 0.596 -1.939 -16.766 1.00 0.00 C ATOM 132 CD ARG A 11 1.489 -0.733 -17.011 1.00 0.00 C ATOM 133 NE ARG A 11 0.768 0.526 -16.838 1.00 0.00 N ATOM 134 CZ ARG A 11 1.272 1.711 -17.161 1.00 0.00 C ATOM 135 NH1 ARG A 11 2.493 1.800 -17.673 1.00 0.00 N ATOM 136 NH2 ARG A 11 0.555 2.812 -16.974 1.00 0.00 N ATOM 0 H ARG A 11 -2.381 -3.708 -19.508 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.392 -4.255 -17.461 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.162 -2.056 -18.858 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.130 -1.368 -17.894 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.040 -1.799 -15.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.212 -2.829 -16.637 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.335 -0.763 -16.325 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.896 -0.782 -18.021 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.174 0.493 -16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.047 0.956 -17.820 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.877 2.712 -17.920 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.384 2.748 -16.582 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.943 3.722 -17.223 1.00 0.00 H new ATOM 150 N THR A 12 -2.248 -4.095 -15.838 1.00 0.00 N ATOM 151 CA THR A 12 -3.364 -4.105 -14.900 1.00 0.00 C ATOM 152 C THR A 12 -3.452 -2.788 -14.138 1.00 0.00 C ATOM 153 O THR A 12 -2.460 -2.071 -14.001 1.00 0.00 O ATOM 154 CB THR A 12 -3.241 -5.262 -13.891 1.00 0.00 C ATOM 155 OG1 THR A 12 -3.085 -6.504 -14.587 1.00 0.00 O ATOM 156 CG2 THR A 12 -4.467 -5.329 -12.993 1.00 0.00 C ATOM 0 H THR A 12 -1.434 -4.626 -15.530 1.00 0.00 H new ATOM 0 HA THR A 12 -4.271 -4.243 -15.489 1.00 0.00 H new ATOM 0 HB THR A 12 -2.364 -5.081 -13.269 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.006 -7.235 -13.939 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.358 -6.154 -12.289 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.567 -4.393 -12.443 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.356 -5.488 -13.603 1.00 0.00 H new ATOM 164 N ARG A 13 -4.645 -2.475 -13.642 1.00 0.00 N ATOM 165 CA ARG A 13 -4.862 -1.243 -12.892 1.00 0.00 C ATOM 166 C ARG A 13 -5.020 -1.533 -11.403 1.00 0.00 C ATOM 167 O ARG A 13 -5.678 -2.499 -11.015 1.00 0.00 O ATOM 168 CB ARG A 13 -6.101 -0.514 -13.415 1.00 0.00 C ATOM 169 CG ARG A 13 -6.162 0.950 -13.012 1.00 0.00 C ATOM 170 CD ARG A 13 -7.351 1.653 -13.647 1.00 0.00 C ATOM 171 NE ARG A 13 -7.193 3.105 -13.645 1.00 0.00 N ATOM 172 CZ ARG A 13 -8.117 3.946 -14.098 1.00 0.00 C ATOM 173 NH1 ARG A 13 -9.258 3.481 -14.588 1.00 0.00 N ATOM 174 NH2 ARG A 13 -7.900 5.254 -14.062 1.00 0.00 N ATOM 0 H ARG A 13 -5.476 -3.057 -13.746 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.989 -0.605 -13.029 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.121 -0.584 -14.503 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.993 -1.021 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.229 1.027 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.240 1.450 -13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.474 1.303 -14.672 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.260 1.386 -13.108 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.326 3.495 -13.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.428 2.476 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.966 4.129 -14.935 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.023 5.615 -13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.610 5.899 -14.410 1.00 0.00 H new ATOM 188 N ILE A 14 -4.412 -0.692 -10.574 1.00 0.00 N ATOM 189 CA ILE A 14 -4.485 -0.858 -9.127 1.00 0.00 C ATOM 190 C ILE A 14 -5.669 -0.093 -8.546 1.00 0.00 C ATOM 191 O ILE A 14 -6.006 0.998 -9.008 1.00 0.00 O ATOM 192 CB ILE A 14 -3.193 -0.382 -8.439 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.978 -1.092 -9.040 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.269 -0.629 -6.940 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.663 -0.417 -8.718 1.00 0.00 C ATOM 0 H ILE A 14 -3.863 0.112 -10.879 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.615 -1.924 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.084 0.690 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.949 -2.118 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.096 -1.143 -10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.348 -0.287 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.115 -0.082 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.399 -1.695 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.154 -0.975 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.671 0.601 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.523 -0.390 -7.637 1.00 0.00 H new ATOM 207 N THR A 15 -6.298 -0.671 -7.527 1.00 0.00 N ATOM 208 CA THR A 15 -7.444 -0.044 -6.881 1.00 0.00 C ATOM 209 C THR A 15 -7.110 0.371 -5.452 1.00 0.00 C ATOM 210 O THR A 15 -6.085 -0.030 -4.902 1.00 0.00 O ATOM 211 CB THR A 15 -8.662 -0.987 -6.859 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.791 -0.315 -6.289 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.357 -2.245 -6.059 1.00 0.00 C ATOM 0 H THR A 15 -6.033 -1.573 -7.131 1.00 0.00 H new ATOM 0 HA THR A 15 -7.691 0.842 -7.466 1.00 0.00 H new ATOM 0 HB THR A 15 -8.891 -1.274 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.165 -0.860 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.231 -2.896 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.515 -2.769 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.106 -1.972 -5.034 1.00 0.00 H new ATOM 221 N ASP A 16 -7.983 1.176 -4.856 1.00 0.00 N ATOM 222 CA ASP A 16 -7.782 1.643 -3.489 1.00 0.00 C ATOM 223 C ASP A 16 -7.630 0.468 -2.529 1.00 0.00 C ATOM 224 O ASP A 16 -6.933 0.564 -1.519 1.00 0.00 O ATOM 225 CB ASP A 16 -8.952 2.527 -3.053 1.00 0.00 C ATOM 226 CG ASP A 16 -8.813 3.955 -3.542 1.00 0.00 C ATOM 227 OD1 ASP A 16 -7.691 4.498 -3.478 1.00 0.00 O ATOM 228 OD2 ASP A 16 -9.827 4.529 -3.990 1.00 0.00 O ATOM 0 H ASP A 16 -8.836 1.519 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.864 2.230 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.883 2.105 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.020 2.524 -1.965 1.00 0.00 H new ATOM 233 N ASP A 17 -8.288 -0.641 -2.851 1.00 0.00 N ATOM 234 CA ASP A 17 -8.227 -1.835 -2.017 1.00 0.00 C ATOM 235 C ASP A 17 -6.856 -2.498 -2.118 1.00 0.00 C ATOM 236 O ASP A 17 -6.398 -3.143 -1.175 1.00 0.00 O ATOM 237 CB ASP A 17 -9.317 -2.826 -2.427 1.00 0.00 C ATOM 238 CG ASP A 17 -10.621 -2.138 -2.780 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.263 -1.577 -1.867 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.000 -2.160 -3.969 1.00 0.00 O ATOM 0 H ASP A 17 -8.869 -0.737 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.391 -1.534 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.973 -3.407 -3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.489 -3.530 -1.613 1.00 0.00 H new ATOM 245 N GLN A 18 -6.209 -2.335 -3.267 1.00 0.00 N ATOM 246 CA GLN A 18 -4.892 -2.919 -3.490 1.00 0.00 C ATOM 247 C GLN A 18 -3.789 -1.960 -3.054 1.00 0.00 C ATOM 248 O GLN A 18 -2.712 -2.385 -2.634 1.00 0.00 O ATOM 249 CB GLN A 18 -4.715 -3.281 -4.966 1.00 0.00 C ATOM 250 CG GLN A 18 -5.283 -4.644 -5.330 1.00 0.00 C ATOM 251 CD GLN A 18 -4.627 -5.239 -6.561 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.443 -4.419 -7.589 1.00 0.00 O flip ATOM 253 NE2 GLN A 18 -4.291 -6.423 -6.588 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.575 -1.804 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.818 -3.825 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.198 -2.520 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.653 -3.262 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.153 -5.324 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.355 -4.552 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.451 -7.017 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.852 -6.810 -7.424 1.00 0.00 H new ATOM 262 N LEU A 19 -4.065 -0.665 -3.157 1.00 0.00 N ATOM 263 CA LEU A 19 -3.096 0.356 -2.774 1.00 0.00 C ATOM 264 C LEU A 19 -2.900 0.381 -1.261 1.00 0.00 C ATOM 265 O LEU A 19 -1.771 0.420 -0.772 1.00 0.00 O ATOM 266 CB LEU A 19 -3.554 1.732 -3.262 1.00 0.00 C ATOM 267 CG LEU A 19 -2.598 2.894 -2.990 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.317 2.730 -3.794 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.267 4.222 -3.313 1.00 0.00 C ATOM 0 H LEU A 19 -4.951 -0.297 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.143 0.110 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.728 1.675 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.513 1.960 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.341 2.888 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.649 3.566 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.828 1.797 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.555 2.709 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.572 5.038 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.554 4.239 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.155 4.342 -2.693 1.00 0.00 H new ATOM 281 N ARG A 20 -4.007 0.355 -0.526 1.00 0.00 N ATOM 282 CA ARG A 20 -3.958 0.373 0.931 1.00 0.00 C ATOM 283 C ARG A 20 -2.995 -0.689 1.455 1.00 0.00 C ATOM 284 O ARG A 20 -2.290 -0.470 2.440 1.00 0.00 O ATOM 285 CB ARG A 20 -5.353 0.143 1.513 1.00 0.00 C ATOM 286 CG ARG A 20 -5.834 -1.294 1.394 1.00 0.00 C ATOM 287 CD ARG A 20 -7.280 -1.436 1.841 1.00 0.00 C ATOM 288 NE ARG A 20 -8.108 -0.323 1.383 1.00 0.00 N ATOM 289 CZ ARG A 20 -8.217 0.829 2.035 1.00 0.00 C ATOM 290 NH1 ARG A 20 -7.555 1.018 3.168 1.00 0.00 N ATOM 291 NH2 ARG A 20 -8.989 1.794 1.554 1.00 0.00 N ATOM 0 H ARG A 20 -4.949 0.321 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.598 1.353 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.351 0.430 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.062 0.797 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.737 -1.627 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.200 -1.942 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.687 -2.372 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.319 -1.493 2.929 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.631 -0.437 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.960 0.278 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.640 1.904 3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.500 1.652 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.072 2.678 2.055 1.00 0.00 H new ATOM 305 N VAL A 21 -2.972 -1.839 0.791 1.00 0.00 N ATOM 306 CA VAL A 21 -2.097 -2.935 1.189 1.00 0.00 C ATOM 307 C VAL A 21 -0.630 -2.559 1.011 1.00 0.00 C ATOM 308 O VAL A 21 0.232 -2.998 1.773 1.00 0.00 O ATOM 309 CB VAL A 21 -2.390 -4.211 0.377 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.371 -5.294 0.700 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.804 -4.700 0.647 1.00 0.00 C ATOM 0 H VAL A 21 -3.550 -2.036 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.294 -3.131 2.243 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.309 -3.974 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.593 -6.188 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.371 -4.938 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.418 -5.532 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.994 -5.602 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.916 -4.922 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.517 -3.927 0.361 1.00 0.00 H new ATOM 321 N LEU A 22 -0.353 -1.742 0.001 1.00 0.00 N ATOM 322 CA LEU A 22 1.011 -1.305 -0.278 1.00 0.00 C ATOM 323 C LEU A 22 1.355 -0.052 0.522 1.00 0.00 C ATOM 324 O LEU A 22 2.527 0.274 0.709 1.00 0.00 O ATOM 325 CB LEU A 22 1.185 -1.034 -1.773 1.00 0.00 C ATOM 326 CG LEU A 22 0.418 -1.960 -2.717 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.174 -1.277 -4.054 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.174 -3.266 -2.913 1.00 0.00 C ATOM 0 H LEU A 22 -1.054 -1.369 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 22 1.691 -2.103 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.877 -0.008 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.246 -1.102 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.549 -2.187 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.373 -1.951 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.410 -0.370 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.130 -1.020 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.614 -3.913 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.155 -3.058 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.296 -3.764 -1.951 1.00 0.00 H new ATOM 340 N ARG A 23 0.325 0.645 0.991 1.00 0.00 N ATOM 341 CA ARG A 23 0.519 1.862 1.771 1.00 0.00 C ATOM 342 C ARG A 23 0.765 1.532 3.240 1.00 0.00 C ATOM 343 O ARG A 23 1.656 2.098 3.872 1.00 0.00 O ATOM 344 CB ARG A 23 -0.701 2.777 1.640 1.00 0.00 C ATOM 345 CG ARG A 23 -0.778 3.500 0.305 1.00 0.00 C ATOM 346 CD ARG A 23 -0.049 4.834 0.352 1.00 0.00 C ATOM 347 NE ARG A 23 -0.585 5.714 1.388 1.00 0.00 N ATOM 348 CZ ARG A 23 -0.145 6.949 1.602 1.00 0.00 C ATOM 349 NH1 ARG A 23 0.831 7.448 0.856 1.00 0.00 N ATOM 350 NH2 ARG A 23 -0.683 7.689 2.564 1.00 0.00 N ATOM 0 H ARG A 23 -0.651 0.388 0.845 1.00 0.00 H new ATOM 0 HA ARG A 23 1.396 2.379 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.606 2.184 1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.680 3.514 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.344 2.874 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.822 3.664 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.011 4.661 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.129 5.325 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.338 5.361 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.246 6.883 0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.166 8.397 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.435 7.309 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.345 8.637 2.728 1.00 0.00 H new ATOM 364 N GLN A 24 -0.033 0.614 3.777 1.00 0.00 N ATOM 365 CA GLN A 24 0.098 0.211 5.172 1.00 0.00 C ATOM 366 C GLN A 24 1.536 -0.187 5.491 1.00 0.00 C ATOM 367 O GLN A 24 2.059 0.141 6.556 1.00 0.00 O ATOM 368 CB GLN A 24 -0.845 -0.953 5.479 1.00 0.00 C ATOM 369 CG GLN A 24 -0.415 -2.268 4.849 1.00 0.00 C ATOM 370 CD GLN A 24 -1.286 -3.432 5.277 1.00 0.00 C ATOM 371 OE1 GLN A 24 -1.727 -3.504 6.424 1.00 0.00 O ATOM 372 NE2 GLN A 24 -1.539 -4.353 4.354 1.00 0.00 N ATOM 0 H GLN A 24 -0.776 0.136 3.267 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.171 1.063 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.910 -1.082 6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.846 -0.701 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.448 -2.174 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.620 -2.475 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.153 -4.254 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.119 -5.160 4.584 1.00 0.00 H new ATOM 381 N TYR A 25 2.168 -0.895 4.562 1.00 0.00 N ATOM 382 CA TYR A 25 3.545 -1.339 4.746 1.00 0.00 C ATOM 383 C TYR A 25 4.519 -0.178 4.580 1.00 0.00 C ATOM 384 O TYR A 25 5.478 -0.043 5.341 1.00 0.00 O ATOM 385 CB TYR A 25 3.882 -2.449 3.748 1.00 0.00 C ATOM 386 CG TYR A 25 3.506 -3.832 4.230 1.00 0.00 C ATOM 387 CD1 TYR A 25 2.221 -4.328 4.046 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.435 -4.642 4.871 1.00 0.00 C ATOM 389 CE1 TYR A 25 1.873 -5.590 4.485 1.00 0.00 C ATOM 390 CE2 TYR A 25 4.096 -5.906 5.313 1.00 0.00 C ATOM 391 CZ TYR A 25 2.814 -6.376 5.118 1.00 0.00 C ATOM 392 OH TYR A 25 2.472 -7.634 5.557 1.00 0.00 O ATOM 0 H TYR A 25 1.750 -1.174 3.675 1.00 0.00 H new ATOM 0 HA TYR A 25 3.642 -1.728 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.368 -2.249 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.951 -2.425 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.482 -3.716 3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.440 -4.277 5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.870 -5.960 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.831 -6.523 5.809 1.00 0.00 H new ATOM 0 HH TYR A 25 3.249 -8.055 5.980 1.00 0.00 H new ATOM 402 N PHE A 26 4.267 0.660 3.580 1.00 0.00 N ATOM 403 CA PHE A 26 5.121 1.811 3.312 1.00 0.00 C ATOM 404 C PHE A 26 5.593 2.452 4.614 1.00 0.00 C ATOM 405 O PHE A 26 6.791 2.511 4.891 1.00 0.00 O ATOM 406 CB PHE A 26 4.373 2.842 2.464 1.00 0.00 C ATOM 407 CG PHE A 26 5.275 3.855 1.819 1.00 0.00 C ATOM 408 CD1 PHE A 26 6.137 3.486 0.800 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.260 5.178 2.233 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.968 4.416 0.204 1.00 0.00 C ATOM 411 CE2 PHE A 26 6.089 6.112 1.641 1.00 0.00 C ATOM 412 CZ PHE A 26 6.944 5.731 0.626 1.00 0.00 C ATOM 0 H PHE A 26 3.478 0.563 2.941 1.00 0.00 H new ATOM 0 HA PHE A 26 5.995 1.463 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.810 2.323 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.648 3.360 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.160 2.459 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.593 5.482 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.635 4.115 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.068 7.140 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.593 6.460 0.163 1.00 0.00 H new ATOM 422 N ASP A 27 4.643 2.932 5.408 1.00 0.00 N ATOM 423 CA ASP A 27 4.959 3.569 6.682 1.00 0.00 C ATOM 424 C ASP A 27 5.879 2.684 7.518 1.00 0.00 C ATOM 425 O ASP A 27 6.963 3.107 7.922 1.00 0.00 O ATOM 426 CB ASP A 27 3.677 3.871 7.458 1.00 0.00 C ATOM 427 CG ASP A 27 2.988 5.130 6.971 1.00 0.00 C ATOM 428 OD1 ASP A 27 2.196 5.039 6.010 1.00 0.00 O ATOM 429 OD2 ASP A 27 3.241 6.207 7.551 1.00 0.00 O ATOM 0 H ASP A 27 3.647 2.892 5.192 1.00 0.00 H new ATOM 0 HA ASP A 27 5.476 4.506 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.993 3.027 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.913 3.976 8.517 1.00 0.00 H new ATOM 434 N ILE A 28 5.439 1.457 7.773 1.00 0.00 N ATOM 435 CA ILE A 28 6.223 0.514 8.561 1.00 0.00 C ATOM 436 C ILE A 28 7.676 0.486 8.099 1.00 0.00 C ATOM 437 O ILE A 28 8.596 0.433 8.914 1.00 0.00 O ATOM 438 CB ILE A 28 5.641 -0.910 8.477 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.241 -0.949 9.091 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.561 -1.900 9.177 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.491 -2.231 8.804 1.00 0.00 C ATOM 0 H ILE A 28 4.544 1.092 7.446 1.00 0.00 H new ATOM 0 HA ILE A 28 6.180 0.855 9.596 1.00 0.00 H new ATOM 0 HB ILE A 28 5.565 -1.195 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.323 -0.819 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.663 -0.107 8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.137 -2.902 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.540 -1.888 8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.666 -1.621 10.225 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.506 -2.189 9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.378 -2.353 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.048 -3.076 9.208 1.00 0.00 H new ATOM 453 N ASN A 29 7.874 0.522 6.785 1.00 0.00 N ATOM 454 CA ASN A 29 9.216 0.502 6.214 1.00 0.00 C ATOM 455 C ASN A 29 9.226 1.140 4.828 1.00 0.00 C ATOM 456 O ASN A 29 8.428 0.782 3.963 1.00 0.00 O ATOM 457 CB ASN A 29 9.736 -0.934 6.131 1.00 0.00 C ATOM 458 CG ASN A 29 11.158 -1.005 5.609 1.00 0.00 C ATOM 459 OD1 ASN A 29 11.900 -0.024 5.661 1.00 0.00 O ATOM 460 ND2 ASN A 29 11.545 -2.170 5.102 1.00 0.00 N ATOM 0 H ASN A 29 7.123 0.565 6.096 1.00 0.00 H new ATOM 0 HA ASN A 29 9.871 1.081 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.692 -1.391 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.084 -1.517 5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.491 -2.278 4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.896 -2.957 5.079 1.00 0.00 H new ATOM 467 N ASN A 30 10.137 2.086 4.625 1.00 0.00 N ATOM 468 CA ASN A 30 10.252 2.774 3.344 1.00 0.00 C ATOM 469 C ASN A 30 9.933 1.830 2.189 1.00 0.00 C ATOM 470 O ASN A 30 8.955 2.024 1.467 1.00 0.00 O ATOM 471 CB ASN A 30 11.660 3.348 3.174 1.00 0.00 C ATOM 472 CG ASN A 30 12.232 3.872 4.478 1.00 0.00 C ATOM 473 OD1 ASN A 30 13.368 3.564 4.839 1.00 0.00 O ATOM 474 ND2 ASN A 30 11.444 4.669 5.191 1.00 0.00 N ATOM 0 H ASN A 30 10.806 2.394 5.331 1.00 0.00 H new ATOM 0 HA ASN A 30 9.530 3.591 3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.318 2.576 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.635 4.155 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.774 5.053 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.509 4.897 4.853 1.00 0.00 H new ATOM 481 N SER A 31 10.765 0.807 2.020 1.00 0.00 N ATOM 482 CA SER A 31 10.574 -0.166 0.951 1.00 0.00 C ATOM 483 C SER A 31 10.436 -1.575 1.518 1.00 0.00 C ATOM 484 O SER A 31 11.073 -1.940 2.506 1.00 0.00 O ATOM 485 CB SER A 31 11.745 -0.112 -0.032 1.00 0.00 C ATOM 486 OG SER A 31 12.034 1.224 -0.408 1.00 0.00 O ATOM 0 H SER A 31 11.578 0.631 2.610 1.00 0.00 H new ATOM 0 HA SER A 31 9.654 0.087 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.627 -0.564 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.507 -0.699 -0.919 1.00 0.00 H new ATOM 0 HG SER A 31 12.787 1.232 -1.035 1.00 0.00 H new ATOM 492 N PRO A 32 9.583 -2.388 0.878 1.00 0.00 N ATOM 493 CA PRO A 32 9.340 -3.771 1.299 1.00 0.00 C ATOM 494 C PRO A 32 10.543 -4.674 1.047 1.00 0.00 C ATOM 495 O PRO A 32 11.473 -4.299 0.333 1.00 0.00 O ATOM 496 CB PRO A 32 8.155 -4.204 0.432 1.00 0.00 C ATOM 497 CG PRO A 32 8.235 -3.337 -0.777 1.00 0.00 C ATOM 498 CD PRO A 32 8.789 -2.020 -0.307 1.00 0.00 C ATOM 0 HA PRO A 32 9.150 -3.843 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.222 -5.259 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.209 -4.066 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.879 -3.783 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.252 -3.207 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.404 -1.547 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.995 -1.316 -0.056 1.00 0.00 H new ATOM 506 N SER A 33 10.517 -5.865 1.636 1.00 0.00 N ATOM 507 CA SER A 33 11.608 -6.820 1.477 1.00 0.00 C ATOM 508 C SER A 33 11.147 -8.046 0.696 1.00 0.00 C ATOM 509 O SER A 33 9.962 -8.378 0.685 1.00 0.00 O ATOM 510 CB SER A 33 12.145 -7.245 2.845 1.00 0.00 C ATOM 511 OG SER A 33 11.134 -7.867 3.619 1.00 0.00 O ATOM 0 H SER A 33 9.753 -6.192 2.227 1.00 0.00 H new ATOM 0 HA SER A 33 12.406 -6.333 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.981 -7.932 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.529 -6.373 3.375 1.00 0.00 H new ATOM 0 HG SER A 33 11.503 -8.131 4.488 1.00 0.00 H new ATOM 517 N GLU A 34 12.092 -8.714 0.043 1.00 0.00 N ATOM 518 CA GLU A 34 11.783 -9.903 -0.743 1.00 0.00 C ATOM 519 C GLU A 34 10.685 -10.726 -0.074 1.00 0.00 C ATOM 520 O GLU A 34 9.903 -11.398 -0.746 1.00 0.00 O ATOM 521 CB GLU A 34 13.037 -10.760 -0.927 1.00 0.00 C ATOM 522 CG GLU A 34 14.043 -10.165 -1.898 1.00 0.00 C ATOM 523 CD GLU A 34 15.227 -11.080 -2.144 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.033 -11.273 -1.211 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.347 -11.603 -3.272 1.00 0.00 O ATOM 0 H GLU A 34 13.078 -8.452 0.042 1.00 0.00 H new ATOM 0 HA GLU A 34 11.427 -9.579 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.518 -10.899 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.743 -11.748 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.547 -9.955 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.400 -9.212 -1.507 1.00 0.00 H new ATOM 532 N GLU A 35 10.635 -10.669 1.253 1.00 0.00 N ATOM 533 CA GLU A 35 9.635 -11.410 2.012 1.00 0.00 C ATOM 534 C GLU A 35 8.263 -10.752 1.891 1.00 0.00 C ATOM 535 O GLU A 35 7.269 -11.417 1.601 1.00 0.00 O ATOM 536 CB GLU A 35 10.042 -11.498 3.484 1.00 0.00 C ATOM 537 CG GLU A 35 11.119 -12.535 3.757 1.00 0.00 C ATOM 538 CD GLU A 35 11.844 -12.293 5.066 1.00 0.00 C ATOM 539 OE1 GLU A 35 12.590 -11.296 5.157 1.00 0.00 O ATOM 540 OE2 GLU A 35 11.664 -13.102 6.001 1.00 0.00 O ATOM 0 H GLU A 35 11.275 -10.118 1.824 1.00 0.00 H new ATOM 0 HA GLU A 35 9.574 -12.417 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.398 -10.522 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.162 -11.734 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.667 -13.527 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.840 -12.528 2.940 1.00 0.00 H new ATOM 547 N GLN A 36 8.219 -9.443 2.117 1.00 0.00 N ATOM 548 CA GLN A 36 6.970 -8.696 2.035 1.00 0.00 C ATOM 549 C GLN A 36 6.491 -8.593 0.590 1.00 0.00 C ATOM 550 O GLN A 36 5.319 -8.832 0.297 1.00 0.00 O ATOM 551 CB GLN A 36 7.148 -7.296 2.626 1.00 0.00 C ATOM 552 CG GLN A 36 7.552 -7.302 4.092 1.00 0.00 C ATOM 553 CD GLN A 36 7.760 -5.906 4.645 1.00 0.00 C ATOM 554 OE1 GLN A 36 7.668 -4.917 3.917 1.00 0.00 O ATOM 555 NE2 GLN A 36 8.043 -5.818 5.939 1.00 0.00 N ATOM 0 H GLN A 36 9.033 -8.878 2.358 1.00 0.00 H new ATOM 0 HA GLN A 36 6.217 -9.233 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.904 -6.761 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.215 -6.743 2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.783 -7.809 4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.471 -7.876 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.110 -6.664 6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.194 -4.905 6.367 1.00 0.00 H new ATOM 564 N ILE A 37 7.404 -8.237 -0.307 1.00 0.00 N ATOM 565 CA ILE A 37 7.075 -8.104 -1.720 1.00 0.00 C ATOM 566 C ILE A 37 6.350 -9.343 -2.235 1.00 0.00 C ATOM 567 O ILE A 37 5.538 -9.263 -3.157 1.00 0.00 O ATOM 568 CB ILE A 37 8.335 -7.869 -2.573 1.00 0.00 C ATOM 569 CG1 ILE A 37 9.172 -6.732 -1.983 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.952 -7.560 -4.012 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.333 -6.318 -2.860 1.00 0.00 C ATOM 0 H ILE A 37 8.378 -8.035 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 37 6.419 -7.238 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 37 8.935 -8.779 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.529 -5.868 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.554 -7.040 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.854 -7.396 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.394 -8.399 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.333 -6.663 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.882 -5.508 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.998 -7.169 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.957 -5.978 -3.825 1.00 0.00 H new ATOM 583 N LYS A 38 6.647 -10.488 -1.632 1.00 0.00 N ATOM 584 CA LYS A 38 6.023 -11.746 -2.025 1.00 0.00 C ATOM 585 C LYS A 38 4.696 -11.945 -1.300 1.00 0.00 C ATOM 586 O LYS A 38 3.674 -12.229 -1.924 1.00 0.00 O ATOM 587 CB LYS A 38 6.959 -12.919 -1.729 1.00 0.00 C ATOM 588 CG LYS A 38 6.754 -14.109 -2.650 1.00 0.00 C ATOM 589 CD LYS A 38 7.330 -13.851 -4.032 1.00 0.00 C ATOM 590 CE LYS A 38 6.985 -14.974 -4.998 1.00 0.00 C ATOM 591 NZ LYS A 38 7.675 -14.810 -6.308 1.00 0.00 N ATOM 0 H LYS A 38 7.317 -10.571 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 38 5.829 -11.706 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.991 -12.579 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.812 -13.239 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.226 -14.991 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.689 -14.326 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.945 -12.907 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.413 -13.749 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.265 -15.931 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.907 -14.999 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.414 -15.595 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.389 -13.909 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.705 -14.812 -6.161 1.00 0.00 H new ATOM 605 N GLU A 39 4.719 -11.792 0.020 1.00 0.00 N ATOM 606 CA GLU A 39 3.517 -11.955 0.829 1.00 0.00 C ATOM 607 C GLU A 39 2.402 -11.037 0.336 1.00 0.00 C ATOM 608 O GLU A 39 1.223 -11.384 0.405 1.00 0.00 O ATOM 609 CB GLU A 39 3.821 -11.661 2.300 1.00 0.00 C ATOM 610 CG GLU A 39 3.626 -10.204 2.683 1.00 0.00 C ATOM 611 CD GLU A 39 3.904 -9.944 4.151 1.00 0.00 C ATOM 612 OE1 GLU A 39 3.197 -10.526 5.000 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.827 -9.159 4.450 1.00 0.00 O ATOM 0 H GLU A 39 5.557 -11.555 0.552 1.00 0.00 H new ATOM 0 HA GLU A 39 3.183 -12.988 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.179 -12.281 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.850 -11.949 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.284 -9.582 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.603 -9.905 2.452 1.00 0.00 H new ATOM 620 N MET A 40 2.784 -9.865 -0.160 1.00 0.00 N ATOM 621 CA MET A 40 1.816 -8.897 -0.665 1.00 0.00 C ATOM 622 C MET A 40 1.347 -9.278 -2.065 1.00 0.00 C ATOM 623 O MET A 40 0.149 -9.293 -2.346 1.00 0.00 O ATOM 624 CB MET A 40 2.427 -7.495 -0.682 1.00 0.00 C ATOM 625 CG MET A 40 2.465 -6.832 0.686 1.00 0.00 C ATOM 626 SD MET A 40 3.180 -5.177 0.636 1.00 0.00 S ATOM 627 CE MET A 40 4.916 -5.551 0.864 1.00 0.00 C ATOM 0 H MET A 40 3.756 -9.562 -0.223 1.00 0.00 H new ATOM 0 HA MET A 40 0.953 -8.901 0.001 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.441 -7.554 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.856 -6.867 -1.365 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.453 -6.774 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.043 -7.453 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.310 -4.960 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.033 -6.611 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.463 -5.310 -0.048 1.00 0.00 H new ATOM 637 N ALA A 41 2.300 -9.584 -2.941 1.00 0.00 N ATOM 638 CA ALA A 41 1.984 -9.965 -4.311 1.00 0.00 C ATOM 639 C ALA A 41 0.830 -10.961 -4.352 1.00 0.00 C ATOM 640 O ALA A 41 0.113 -11.055 -5.348 1.00 0.00 O ATOM 641 CB ALA A 41 3.212 -10.550 -4.993 1.00 0.00 C ATOM 0 H ALA A 41 3.297 -9.575 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 41 1.675 -9.068 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.961 -10.830 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.010 -9.807 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.546 -11.432 -4.447 1.00 0.00 H new ATOM 647 N ASP A 42 0.656 -11.703 -3.263 1.00 0.00 N ATOM 648 CA ASP A 42 -0.411 -12.692 -3.174 1.00 0.00 C ATOM 649 C ASP A 42 -1.654 -12.093 -2.524 1.00 0.00 C ATOM 650 O ASP A 42 -2.775 -12.304 -2.989 1.00 0.00 O ATOM 651 CB ASP A 42 0.059 -13.911 -2.379 1.00 0.00 C ATOM 652 CG ASP A 42 -0.775 -15.145 -2.664 1.00 0.00 C ATOM 653 OD1 ASP A 42 -0.637 -15.711 -3.768 1.00 0.00 O ATOM 654 OD2 ASP A 42 -1.565 -15.544 -1.783 1.00 0.00 O ATOM 0 H ASP A 42 1.241 -11.638 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.668 -13.006 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.102 -14.118 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.016 -13.685 -1.314 1.00 0.00 H new ATOM 659 N LYS A 43 -1.449 -11.346 -1.444 1.00 0.00 N ATOM 660 CA LYS A 43 -2.552 -10.715 -0.729 1.00 0.00 C ATOM 661 C LYS A 43 -3.352 -9.805 -1.655 1.00 0.00 C ATOM 662 O LYS A 43 -4.582 -9.829 -1.654 1.00 0.00 O ATOM 663 CB LYS A 43 -2.022 -9.912 0.461 1.00 0.00 C ATOM 664 CG LYS A 43 -1.708 -10.764 1.679 1.00 0.00 C ATOM 665 CD LYS A 43 -1.102 -9.934 2.799 1.00 0.00 C ATOM 666 CE LYS A 43 -0.213 -10.778 3.699 1.00 0.00 C ATOM 667 NZ LYS A 43 -1.005 -11.734 4.521 1.00 0.00 N ATOM 0 H LYS A 43 -0.528 -11.163 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.212 -11.501 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.120 -9.381 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.759 -9.157 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.620 -11.244 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.017 -11.559 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.520 -9.117 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.898 -9.483 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.502 -11.329 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.364 -10.126 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.363 -12.291 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.670 -11.207 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.536 -12.373 3.895 1.00 0.00 H new ATOM 681 N SER A 44 -2.644 -9.004 -2.445 1.00 0.00 N ATOM 682 CA SER A 44 -3.289 -8.084 -3.375 1.00 0.00 C ATOM 683 C SER A 44 -3.486 -8.739 -4.739 1.00 0.00 C ATOM 684 O SER A 44 -4.527 -8.574 -5.374 1.00 0.00 O ATOM 685 CB SER A 44 -2.455 -6.810 -3.525 1.00 0.00 C ATOM 686 OG SER A 44 -1.373 -7.010 -4.417 1.00 0.00 O ATOM 0 H SER A 44 -1.625 -8.973 -2.460 1.00 0.00 H new ATOM 0 HA SER A 44 -4.268 -7.825 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.086 -6.000 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.075 -6.504 -2.550 1.00 0.00 H new ATOM 0 HG SER A 44 -0.626 -6.430 -4.160 1.00 0.00 H new ATOM 692 N GLY A 45 -2.479 -9.485 -5.182 1.00 0.00 N ATOM 693 CA GLY A 45 -2.560 -10.154 -6.467 1.00 0.00 C ATOM 694 C GLY A 45 -1.646 -9.532 -7.504 1.00 0.00 C ATOM 695 O GLY A 45 -1.532 -10.033 -8.623 1.00 0.00 O ATOM 0 H GLY A 45 -1.608 -9.638 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.301 -11.205 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.588 -10.120 -6.827 1.00 0.00 H new ATOM 699 N LEU A 46 -0.994 -8.435 -7.133 1.00 0.00 N ATOM 700 CA LEU A 46 -0.085 -7.742 -8.040 1.00 0.00 C ATOM 701 C LEU A 46 1.283 -8.415 -8.059 1.00 0.00 C ATOM 702 O LEU A 46 1.773 -8.911 -7.044 1.00 0.00 O ATOM 703 CB LEU A 46 0.060 -6.277 -7.626 1.00 0.00 C ATOM 704 CG LEU A 46 -1.228 -5.451 -7.617 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.139 -4.336 -6.586 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.506 -4.881 -9.000 1.00 0.00 C ATOM 0 H LEU A 46 -1.078 -8.007 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.506 -7.790 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.496 -6.244 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.770 -5.798 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.055 -6.106 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.064 -3.759 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.988 -4.767 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.301 -3.682 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.426 -4.297 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.678 -4.241 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.614 -5.697 -9.715 1.00 0.00 H new ATOM 718 N PRO A 47 1.918 -8.431 -9.241 1.00 0.00 N ATOM 719 CA PRO A 47 3.241 -9.037 -9.420 1.00 0.00 C ATOM 720 C PRO A 47 4.342 -8.241 -8.729 1.00 0.00 C ATOM 721 O PRO A 47 4.177 -7.055 -8.443 1.00 0.00 O ATOM 722 CB PRO A 47 3.438 -9.016 -10.938 1.00 0.00 C ATOM 723 CG PRO A 47 2.580 -7.895 -11.415 1.00 0.00 C ATOM 724 CD PRO A 47 1.394 -7.859 -10.492 1.00 0.00 C ATOM 0 HA PRO A 47 3.295 -10.034 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.484 -8.853 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.140 -9.962 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.123 -6.950 -11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.267 -8.055 -12.447 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.028 -6.842 -10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.562 -8.444 -10.884 1.00 0.00 H new ATOM 732 N GLN A 48 5.465 -8.901 -8.463 1.00 0.00 N ATOM 733 CA GLN A 48 6.593 -8.253 -7.804 1.00 0.00 C ATOM 734 C GLN A 48 7.077 -7.051 -8.610 1.00 0.00 C ATOM 735 O GLN A 48 7.427 -6.013 -8.047 1.00 0.00 O ATOM 736 CB GLN A 48 7.739 -9.248 -7.612 1.00 0.00 C ATOM 737 CG GLN A 48 7.443 -10.324 -6.580 1.00 0.00 C ATOM 738 CD GLN A 48 8.626 -11.241 -6.338 1.00 0.00 C ATOM 739 OE1 GLN A 48 8.792 -11.678 -5.095 1.00 0.00 O flip ATOM 740 NE2 GLN A 48 9.384 -11.552 -7.257 1.00 0.00 N flip ATOM 0 H GLN A 48 5.618 -9.883 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 48 6.259 -7.902 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.960 -9.724 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.635 -8.704 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.156 -9.852 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.591 -10.917 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.219 -11.193 -8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.177 -12.168 -7.078 1.00 0.00 H new ATOM 749 N LYS A 49 7.095 -7.199 -9.930 1.00 0.00 N ATOM 750 CA LYS A 49 7.535 -6.126 -10.814 1.00 0.00 C ATOM 751 C LYS A 49 6.676 -4.880 -10.627 1.00 0.00 C ATOM 752 O LYS A 49 7.177 -3.756 -10.675 1.00 0.00 O ATOM 753 CB LYS A 49 7.476 -6.584 -12.273 1.00 0.00 C ATOM 754 CG LYS A 49 6.268 -7.447 -12.592 1.00 0.00 C ATOM 755 CD LYS A 49 6.014 -7.521 -14.088 1.00 0.00 C ATOM 756 CE LYS A 49 6.818 -8.638 -14.736 1.00 0.00 C ATOM 757 NZ LYS A 49 6.795 -8.548 -16.222 1.00 0.00 N ATOM 0 H LYS A 49 6.810 -8.052 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 49 8.565 -5.877 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.466 -5.707 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.383 -7.142 -12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.423 -8.452 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.388 -7.042 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.952 -7.683 -14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.275 -6.569 -14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.849 -8.594 -14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.417 -9.602 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.354 -9.327 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.813 -8.616 -16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.201 -7.639 -16.521 1.00 0.00 H new ATOM 771 N VAL A 50 5.381 -5.086 -10.412 1.00 0.00 N ATOM 772 CA VAL A 50 4.453 -3.979 -10.214 1.00 0.00 C ATOM 773 C VAL A 50 4.621 -3.362 -8.830 1.00 0.00 C ATOM 774 O VAL A 50 4.841 -2.157 -8.699 1.00 0.00 O ATOM 775 CB VAL A 50 2.992 -4.433 -10.388 1.00 0.00 C ATOM 776 CG1 VAL A 50 2.040 -3.414 -9.781 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.676 -4.659 -11.859 1.00 0.00 C ATOM 0 H VAL A 50 4.950 -6.010 -10.370 1.00 0.00 H new ATOM 0 HA VAL A 50 4.686 -3.232 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 50 2.859 -5.378 -9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.012 -3.752 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.252 -3.306 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.172 -2.452 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.639 -4.979 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.826 -3.731 -12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.336 -5.429 -12.259 1.00 0.00 H new ATOM 787 N ILE A 51 4.515 -4.195 -7.800 1.00 0.00 N ATOM 788 CA ILE A 51 4.656 -3.731 -6.426 1.00 0.00 C ATOM 789 C ILE A 51 5.965 -2.971 -6.234 1.00 0.00 C ATOM 790 O ILE A 51 5.973 -1.839 -5.750 1.00 0.00 O ATOM 791 CB ILE A 51 4.605 -4.903 -5.428 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.283 -5.661 -5.565 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.787 -4.396 -4.005 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.238 -6.946 -4.769 1.00 0.00 C ATOM 0 H ILE A 51 4.332 -5.194 -7.891 1.00 0.00 H new ATOM 0 HA ILE A 51 3.818 -3.062 -6.231 1.00 0.00 H new ATOM 0 HB ILE A 51 5.421 -5.590 -5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.467 -5.014 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.111 -5.889 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.749 -5.236 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.752 -3.897 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.991 -3.691 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.272 -7.430 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.032 -7.612 -5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.378 -6.724 -3.711 1.00 0.00 H new ATOM 806 N LYS A 52 7.070 -3.601 -6.617 1.00 0.00 N ATOM 807 CA LYS A 52 8.385 -2.985 -6.491 1.00 0.00 C ATOM 808 C LYS A 52 8.413 -1.619 -7.170 1.00 0.00 C ATOM 809 O LYS A 52 8.892 -0.639 -6.597 1.00 0.00 O ATOM 810 CB LYS A 52 9.457 -3.891 -7.101 1.00 0.00 C ATOM 811 CG LYS A 52 9.954 -4.968 -6.152 1.00 0.00 C ATOM 812 CD LYS A 52 11.001 -5.851 -6.810 1.00 0.00 C ATOM 813 CE LYS A 52 12.402 -5.288 -6.625 1.00 0.00 C ATOM 814 NZ LYS A 52 13.382 -5.926 -7.546 1.00 0.00 N ATOM 0 H LYS A 52 7.081 -4.539 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 52 8.594 -2.849 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.054 -4.365 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.302 -3.279 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.377 -4.503 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.114 -5.581 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.952 -6.854 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.783 -5.944 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.387 -4.212 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.721 -5.439 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.324 -5.515 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.415 -6.949 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.092 -5.760 -8.531 1.00 0.00 H new ATOM 828 N HIS A 53 7.897 -1.560 -8.393 1.00 0.00 N ATOM 829 CA HIS A 53 7.862 -0.314 -9.149 1.00 0.00 C ATOM 830 C HIS A 53 7.036 0.741 -8.419 1.00 0.00 C ATOM 831 O HIS A 53 7.493 1.864 -8.208 1.00 0.00 O ATOM 832 CB HIS A 53 7.284 -0.555 -10.544 1.00 0.00 C ATOM 833 CG HIS A 53 6.723 0.679 -11.182 1.00 0.00 C ATOM 834 ND1 HIS A 53 5.581 1.363 -10.934 1.00 0.00 N flip ATOM 835 CD2 HIS A 53 7.354 1.349 -12.208 1.00 0.00 C flip ATOM 836 CE1 HIS A 53 5.545 2.424 -11.805 1.00 0.00 C flip ATOM 837 NE2 HIS A 53 6.626 2.393 -12.563 1.00 0.00 N flip ATOM 0 H HIS A 53 7.497 -2.361 -8.882 1.00 0.00 H new ATOM 0 HA HIS A 53 8.884 0.052 -9.246 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.065 -0.963 -11.186 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.499 -1.309 -10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.296 1.065 -12.652 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.760 3.164 -11.861 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.859 3.061 -13.297 1.00 0.00 H new ATOM 846 N TRP A 54 5.818 0.372 -8.037 1.00 0.00 N ATOM 847 CA TRP A 54 4.929 1.287 -7.331 1.00 0.00 C ATOM 848 C TRP A 54 5.651 1.961 -6.170 1.00 0.00 C ATOM 849 O TRP A 54 5.633 3.185 -6.041 1.00 0.00 O ATOM 850 CB TRP A 54 3.697 0.539 -6.817 1.00 0.00 C ATOM 851 CG TRP A 54 2.801 1.386 -5.965 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.717 2.106 -6.379 1.00 0.00 C ATOM 853 CD2 TRP A 54 2.914 1.601 -4.554 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.149 2.756 -5.310 1.00 0.00 N ATOM 855 CE2 TRP A 54 1.863 2.462 -4.179 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.798 1.149 -3.571 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.677 2.879 -2.864 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.611 1.564 -2.266 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.557 2.421 -1.921 1.00 0.00 C ATOM 0 H TRP A 54 5.424 -0.554 -8.204 1.00 0.00 H new ATOM 0 HA TRP A 54 4.611 2.058 -8.033 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.128 0.162 -7.667 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.021 -0.328 -6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.359 2.157 -7.397 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.328 3.360 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.613 0.487 -3.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.866 3.541 -2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.289 1.222 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.437 2.726 -0.892 1.00 0.00 H new ATOM 870 N PHE A 55 6.287 1.155 -5.326 1.00 0.00 N ATOM 871 CA PHE A 55 7.015 1.674 -4.174 1.00 0.00 C ATOM 872 C PHE A 55 8.101 2.652 -4.613 1.00 0.00 C ATOM 873 O PHE A 55 8.343 3.664 -3.956 1.00 0.00 O ATOM 874 CB PHE A 55 7.638 0.526 -3.378 1.00 0.00 C ATOM 875 CG PHE A 55 6.737 -0.019 -2.307 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.735 0.535 -1.037 1.00 0.00 C ATOM 877 CD2 PHE A 55 5.892 -1.085 -2.569 1.00 0.00 C ATOM 878 CE1 PHE A 55 5.907 0.037 -0.049 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.062 -1.588 -1.585 1.00 0.00 C ATOM 880 CZ PHE A 55 5.070 -1.027 -0.323 1.00 0.00 C ATOM 0 H PHE A 55 6.313 0.140 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 55 6.307 2.206 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.903 -0.279 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.565 0.873 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.388 1.366 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.882 -1.528 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.914 0.479 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.408 -2.419 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.423 -1.419 0.448 1.00 0.00 H new ATOM 890 N ARG A 56 8.753 2.341 -5.729 1.00 0.00 N ATOM 891 CA ARG A 56 9.815 3.190 -6.255 1.00 0.00 C ATOM 892 C ARG A 56 9.258 4.533 -6.717 1.00 0.00 C ATOM 893 O ARG A 56 9.657 5.585 -6.220 1.00 0.00 O ATOM 894 CB ARG A 56 10.525 2.493 -7.418 1.00 0.00 C ATOM 895 CG ARG A 56 11.380 3.428 -8.257 1.00 0.00 C ATOM 896 CD ARG A 56 12.483 4.069 -7.428 1.00 0.00 C ATOM 897 NE ARG A 56 13.709 3.275 -7.441 1.00 0.00 N ATOM 898 CZ ARG A 56 13.948 2.279 -6.595 1.00 0.00 C ATOM 899 NH1 ARG A 56 13.050 1.956 -5.675 1.00 0.00 N ATOM 900 NH2 ARG A 56 15.087 1.604 -6.669 1.00 0.00 N ATOM 0 H ARG A 56 8.564 1.508 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 56 10.533 3.370 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.154 1.695 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.779 2.023 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.821 2.874 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.752 4.205 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.693 5.067 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.140 4.190 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 56 14.420 3.497 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.173 2.473 -5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.236 1.191 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.780 1.849 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.270 0.839 -6.019 1.00 0.00 H new ATOM 914 N ASN A 57 8.334 4.489 -7.671 1.00 0.00 N ATOM 915 CA ASN A 57 7.722 5.702 -8.200 1.00 0.00 C ATOM 916 C ASN A 57 7.263 6.618 -7.070 1.00 0.00 C ATOM 917 O ASN A 57 7.620 7.796 -7.026 1.00 0.00 O ATOM 918 CB ASN A 57 6.536 5.350 -9.100 1.00 0.00 C ATOM 919 CG ASN A 57 5.784 6.579 -9.572 1.00 0.00 C ATOM 920 OD1 ASN A 57 4.918 7.099 -8.868 1.00 0.00 O ATOM 921 ND2 ASN A 57 6.112 7.050 -10.770 1.00 0.00 N ATOM 0 H ASN A 57 7.993 3.626 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 57 8.472 6.230 -8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.893 4.791 -9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.853 4.696 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.640 7.875 -11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.836 6.587 -11.319 1.00 0.00 H new ATOM 928 N THR A 58 6.470 6.068 -6.156 1.00 0.00 N ATOM 929 CA THR A 58 5.961 6.835 -5.025 1.00 0.00 C ATOM 930 C THR A 58 7.097 7.311 -4.128 1.00 0.00 C ATOM 931 O THR A 58 7.310 8.513 -3.963 1.00 0.00 O ATOM 932 CB THR A 58 4.971 6.006 -4.185 1.00 0.00 C ATOM 933 OG1 THR A 58 3.944 5.469 -5.026 1.00 0.00 O ATOM 934 CG2 THR A 58 4.344 6.858 -3.092 1.00 0.00 C ATOM 0 H THR A 58 6.166 5.095 -6.177 1.00 0.00 H new ATOM 0 HA THR A 58 5.441 7.700 -5.437 1.00 0.00 H new ATOM 0 HB THR A 58 5.521 5.189 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.277 4.664 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.649 6.251 -2.512 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.126 7.241 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.808 7.693 -3.544 1.00 0.00 H new ATOM 942 N LEU A 59 7.826 6.362 -3.550 1.00 0.00 N ATOM 943 CA LEU A 59 8.943 6.685 -2.668 1.00 0.00 C ATOM 944 C LEU A 59 9.836 7.753 -3.290 1.00 0.00 C ATOM 945 O LEU A 59 9.981 8.849 -2.748 1.00 0.00 O ATOM 946 CB LEU A 59 9.763 5.428 -2.371 1.00 0.00 C ATOM 947 CG LEU A 59 11.046 5.639 -1.566 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.723 5.875 -0.099 1.00 0.00 C ATOM 949 CD2 LEU A 59 11.977 4.446 -1.724 1.00 0.00 C ATOM 0 H LEU A 59 7.664 5.363 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 59 8.537 7.076 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.130 4.725 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.025 4.957 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 59 11.553 6.523 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.648 6.023 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.096 6.761 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.193 5.010 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.885 4.614 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.479 3.545 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.236 4.323 -2.776 1.00 0.00 H new ATOM 961 N PHE A 60 10.431 7.428 -4.433 1.00 0.00 N ATOM 962 CA PHE A 60 11.309 8.360 -5.130 1.00 0.00 C ATOM 963 C PHE A 60 10.669 9.742 -5.226 1.00 0.00 C ATOM 964 O PHE A 60 11.344 10.763 -5.088 1.00 0.00 O ATOM 965 CB PHE A 60 11.634 7.838 -6.531 1.00 0.00 C ATOM 966 CG PHE A 60 12.959 8.313 -7.056 1.00 0.00 C ATOM 967 CD1 PHE A 60 13.135 9.633 -7.437 1.00 0.00 C ATOM 968 CD2 PHE A 60 14.028 7.439 -7.168 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.353 10.072 -7.921 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.249 7.872 -7.650 1.00 0.00 C ATOM 971 CZ PHE A 60 15.411 9.191 -8.026 1.00 0.00 C ATOM 0 H PHE A 60 10.321 6.526 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 60 12.233 8.445 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.629 6.748 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.847 8.150 -7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.311 10.327 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.906 6.407 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.477 11.103 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.074 7.180 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.364 9.533 -8.402 1.00 0.00 H new ATOM 981 N LYS A 61 9.362 9.767 -5.465 1.00 0.00 N ATOM 982 CA LYS A 61 8.628 11.021 -5.579 1.00 0.00 C ATOM 983 C LYS A 61 8.583 11.749 -4.240 1.00 0.00 C ATOM 984 O LYS A 61 8.730 12.970 -4.181 1.00 0.00 O ATOM 985 CB LYS A 61 7.205 10.760 -6.078 1.00 0.00 C ATOM 986 CG LYS A 61 6.555 11.971 -6.725 1.00 0.00 C ATOM 987 CD LYS A 61 6.850 12.033 -8.214 1.00 0.00 C ATOM 988 CE LYS A 61 6.007 13.094 -8.905 1.00 0.00 C ATOM 989 NZ LYS A 61 6.127 13.020 -10.387 1.00 0.00 N ATOM 0 H LYS A 61 8.789 8.932 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 61 9.148 11.653 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.226 9.942 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.590 10.432 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.477 11.934 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.916 12.880 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.907 12.249 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.655 11.060 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.962 12.971 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.317 14.082 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.538 13.759 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.120 13.163 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.808 12.086 -10.715 1.00 0.00 H new ATOM 1003 N GLU A 62 8.380 10.992 -3.166 1.00 0.00 N ATOM 1004 CA GLU A 62 8.316 11.567 -1.828 1.00 0.00 C ATOM 1005 C GLU A 62 9.665 12.153 -1.423 1.00 0.00 C ATOM 1006 O GLU A 62 9.734 13.240 -0.848 1.00 0.00 O ATOM 1007 CB GLU A 62 7.884 10.506 -0.813 1.00 0.00 C ATOM 1008 CG GLU A 62 6.376 10.355 -0.696 1.00 0.00 C ATOM 1009 CD GLU A 62 5.748 11.424 0.177 1.00 0.00 C ATOM 1010 OE1 GLU A 62 5.796 11.281 1.416 1.00 0.00 O ATOM 1011 OE2 GLU A 62 5.210 12.404 -0.380 1.00 0.00 O ATOM 0 H GLU A 62 8.257 9.980 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 62 7.579 12.370 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.316 9.546 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.292 10.763 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.932 10.397 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.144 9.373 -0.284 1.00 0.00 H new ATOM 1018 N ARG A 63 10.735 11.426 -1.726 1.00 0.00 N ATOM 1019 CA ARG A 63 12.082 11.872 -1.392 1.00 0.00 C ATOM 1020 C ARG A 63 12.455 13.119 -2.189 1.00 0.00 C ATOM 1021 O ARG A 63 13.008 14.073 -1.643 1.00 0.00 O ATOM 1022 CB ARG A 63 13.094 10.758 -1.666 1.00 0.00 C ATOM 1023 CG ARG A 63 12.927 9.547 -0.762 1.00 0.00 C ATOM 1024 CD ARG A 63 13.640 9.741 0.566 1.00 0.00 C ATOM 1025 NE ARG A 63 13.014 10.781 1.378 1.00 0.00 N ATOM 1026 CZ ARG A 63 13.651 11.454 2.330 1.00 0.00 C ATOM 1027 NH1 ARG A 63 14.926 11.199 2.587 1.00 0.00 N ATOM 1028 NH2 ARG A 63 13.012 12.386 3.026 1.00 0.00 N ATOM 0 H ARG A 63 10.695 10.525 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 63 12.103 12.120 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.000 10.441 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.101 11.156 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.867 9.368 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.320 8.662 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.640 8.801 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.682 10.003 0.383 1.00 0.00 H new ATOM 0 HE ARG A 63 12.034 11.003 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.421 10.484 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.412 11.717 3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.031 12.586 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.502 12.902 3.757 1.00 0.00 H new ATOM 1042 N GLN A 64 12.148 13.102 -3.482 1.00 0.00 N ATOM 1043 CA GLN A 64 12.452 14.231 -4.353 1.00 0.00 C ATOM 1044 C GLN A 64 11.427 15.346 -4.177 1.00 0.00 C ATOM 1045 O GLN A 64 10.231 15.088 -4.043 1.00 0.00 O ATOM 1046 CB GLN A 64 12.486 13.780 -5.814 1.00 0.00 C ATOM 1047 CG GLN A 64 11.111 13.489 -6.394 1.00 0.00 C ATOM 1048 CD GLN A 64 10.422 14.734 -6.916 1.00 0.00 C ATOM 1049 OE1 GLN A 64 11.068 15.747 -7.190 1.00 0.00 O ATOM 1050 NE2 GLN A 64 9.104 14.667 -7.057 1.00 0.00 N ATOM 0 H GLN A 64 11.689 12.320 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 64 13.433 14.617 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.967 14.553 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.102 12.884 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.208 12.766 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.488 13.028 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.609 13.808 -6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.587 15.474 -7.404 1.00 0.00 H new ATOM 1059 N SER A 65 11.903 16.587 -4.178 1.00 0.00 N ATOM 1060 CA SER A 65 11.028 17.742 -4.013 1.00 0.00 C ATOM 1061 C SER A 65 11.510 18.915 -4.862 1.00 0.00 C ATOM 1062 O SER A 65 12.696 19.244 -4.869 1.00 0.00 O ATOM 1063 CB SER A 65 10.965 18.156 -2.542 1.00 0.00 C ATOM 1064 OG SER A 65 10.602 17.060 -1.720 1.00 0.00 O ATOM 0 H SER A 65 12.890 16.819 -4.291 1.00 0.00 H new ATOM 0 HA SER A 65 10.030 17.460 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.934 18.545 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.242 18.963 -2.418 1.00 0.00 H new ATOM 0 HG SER A 65 10.570 17.349 -0.784 1.00 0.00 H new ATOM 1070 N GLY A 66 10.581 19.541 -5.579 1.00 0.00 N ATOM 1071 CA GLY A 66 10.930 20.669 -6.422 1.00 0.00 C ATOM 1072 C GLY A 66 10.134 21.914 -6.083 1.00 0.00 C ATOM 1073 O GLY A 66 9.266 21.903 -5.210 1.00 0.00 O ATOM 0 H GLY A 66 9.593 19.287 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.994 20.882 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.759 20.405 -7.466 1.00 0.00 H new ATOM 1077 N PRO A 67 10.429 23.018 -6.784 1.00 0.00 N ATOM 1078 CA PRO A 67 9.746 24.298 -6.570 1.00 0.00 C ATOM 1079 C PRO A 67 8.296 24.267 -7.042 1.00 0.00 C ATOM 1080 O PRO A 67 7.464 25.044 -6.573 1.00 0.00 O ATOM 1081 CB PRO A 67 10.561 25.281 -7.414 1.00 0.00 C ATOM 1082 CG PRO A 67 11.187 24.442 -8.474 1.00 0.00 C ATOM 1083 CD PRO A 67 11.451 23.104 -7.841 1.00 0.00 C ATOM 0 HA PRO A 67 9.696 24.561 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 67 9.925 26.054 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.316 25.788 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.525 24.343 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.112 24.893 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.353 22.292 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.459 23.046 -7.431 1.00 0.00 H new ATOM 1091 N SER A 68 7.999 23.363 -7.970 1.00 0.00 N ATOM 1092 CA SER A 68 6.650 23.234 -8.508 1.00 0.00 C ATOM 1093 C SER A 68 5.661 22.858 -7.408 1.00 0.00 C ATOM 1094 O SER A 68 4.538 23.361 -7.369 1.00 0.00 O ATOM 1095 CB SER A 68 6.619 22.181 -9.618 1.00 0.00 C ATOM 1096 OG SER A 68 6.858 20.885 -9.098 1.00 0.00 O ATOM 0 H SER A 68 8.675 22.709 -8.365 1.00 0.00 H new ATOM 0 HA SER A 68 6.357 24.198 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.650 22.203 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.371 22.419 -10.370 1.00 0.00 H new ATOM 0 HG SER A 68 6.831 20.230 -9.827 1.00 0.00 H new ATOM 1102 N SER A 69 6.088 21.971 -6.515 1.00 0.00 N ATOM 1103 CA SER A 69 5.240 21.524 -5.416 1.00 0.00 C ATOM 1104 C SER A 69 5.488 22.361 -4.164 1.00 0.00 C ATOM 1105 O SER A 69 6.627 22.697 -3.844 1.00 0.00 O ATOM 1106 CB SER A 69 5.496 20.047 -5.114 1.00 0.00 C ATOM 1107 OG SER A 69 5.043 19.224 -6.176 1.00 0.00 O ATOM 0 H SER A 69 7.016 21.548 -6.531 1.00 0.00 H new ATOM 0 HA SER A 69 4.200 21.651 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.562 19.885 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.988 19.768 -4.191 1.00 0.00 H new ATOM 0 HG SER A 69 5.219 18.285 -5.960 1.00 0.00 H new ATOM 1113 N GLY A 70 4.410 22.693 -3.459 1.00 0.00 N ATOM 1114 CA GLY A 70 4.531 23.487 -2.250 1.00 0.00 C ATOM 1115 C GLY A 70 3.349 23.307 -1.318 1.00 0.00 C ATOM 1116 O GLY A 70 2.202 23.262 -1.762 1.00 0.00 O ATOM 0 H GLY A 70 3.456 22.426 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.447 23.211 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.622 24.540 -2.518 1.00 0.00 H new TER 1120 GLY A 70