USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HD1:sc= -3.31! C(o=-3.5!,f=-8.8!) USER MOD Set 1.2: A 91 HIS : no HE2:sc= -0.234 K(o=-3.5,f=-4.4) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.872 USER MOD Set 2.2: A 40 GLN : amide:sc= -3.92 K(o=-4.8,f=-9.1!) USER MOD Set 2.3: A 41 GLN : amide:sc= -0.024 X(o=-4.8,f=-4.8) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 173:sc= -0.38 (180deg=-0.421) USER MOD Set 3.2: A 21 THR OG1 : rot -80:sc= 0.0745 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.173 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.6!) USER MOD Single : A 16 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-0.62) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -141:sc= 0.473 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 38:sc= 0.492 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -49:sc= 0.12 USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -1.71! (180deg=-2.34!) USER MOD Single : A 47 SER OG : rot 64:sc= 0.0957 USER MOD Single : A 48 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 1.12 (180deg=0.491) USER MOD Single : A 56 GLN : amide:sc= -5.35! C(o=-5.4!,f=-8.5!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0282) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.207 USER MOD Single : A 74 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.013) USER MOD Single : A 75 CYS SG : rot 94:sc= -3.06! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.915 K(o=-0.92,f=-0.23) USER MOD Single : A 88 LYS NZ :NH3+ 156:sc= -1.28 (180deg=-1.95!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 94 MET CE :methyl -146:sc= -1.05 (180deg=-3.14!) USER MOD Single : A 96 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.344 0.476 26.955 1.00 0.00 N ATOM 2 CA GLY A 1 9.617 0.975 25.620 1.00 0.00 C ATOM 3 C GLY A 1 8.383 1.546 24.951 1.00 0.00 C ATOM 4 O GLY A 1 8.181 2.761 24.939 1.00 0.00 O ATOM 0 H1 GLY A 1 10.219 0.096 27.369 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.987 1.251 27.549 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.629 -0.278 26.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.387 1.745 25.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.017 0.167 25.008 1.00 0.00 H new ATOM 8 N SER A 2 7.556 0.670 24.390 1.00 0.00 N ATOM 9 CA SER A 2 6.337 1.095 23.711 1.00 0.00 C ATOM 10 C SER A 2 5.377 1.767 24.688 1.00 0.00 C ATOM 11 O SER A 2 5.055 1.213 25.739 1.00 0.00 O ATOM 12 CB SER A 2 5.653 -0.102 23.048 1.00 0.00 C ATOM 13 OG SER A 2 5.352 -1.108 23.999 1.00 0.00 O ATOM 0 H SER A 2 7.708 -0.339 24.392 1.00 0.00 H new ATOM 0 HA SER A 2 6.612 1.818 22.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.736 0.225 22.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.301 -0.512 22.273 1.00 0.00 H new ATOM 0 HG SER A 2 5.192 -0.695 24.873 1.00 0.00 H new ATOM 19 N SER A 3 4.923 2.965 24.332 1.00 0.00 N ATOM 20 CA SER A 3 4.002 3.715 25.178 1.00 0.00 C ATOM 21 C SER A 3 2.570 3.589 24.668 1.00 0.00 C ATOM 22 O SER A 3 2.078 4.455 23.945 1.00 0.00 O ATOM 23 CB SER A 3 4.410 5.189 25.230 1.00 0.00 C ATOM 24 OG SER A 3 3.541 5.929 26.069 1.00 0.00 O ATOM 0 H SER A 3 5.178 3.436 23.464 1.00 0.00 H new ATOM 0 HA SER A 3 4.048 3.297 26.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.433 5.274 25.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.395 5.609 24.224 1.00 0.00 H new ATOM 0 HG SER A 3 3.824 6.867 26.087 1.00 0.00 H new ATOM 30 N GLY A 4 1.905 2.503 25.050 1.00 0.00 N ATOM 31 CA GLY A 4 0.536 2.282 24.622 1.00 0.00 C ATOM 32 C GLY A 4 0.450 1.437 23.366 1.00 0.00 C ATOM 33 O GLY A 4 -0.032 1.898 22.332 1.00 0.00 O ATOM 0 H GLY A 4 2.290 1.772 25.648 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.018 1.793 25.424 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.055 3.244 24.443 1.00 0.00 H new ATOM 37 N SER A 5 0.921 0.197 23.456 1.00 0.00 N ATOM 38 CA SER A 5 0.900 -0.712 22.316 1.00 0.00 C ATOM 39 C SER A 5 -0.528 -0.940 21.829 1.00 0.00 C ATOM 40 O SER A 5 -0.867 -0.612 20.692 1.00 0.00 O ATOM 41 CB SER A 5 1.541 -2.049 22.692 1.00 0.00 C ATOM 42 OG SER A 5 1.623 -2.910 21.569 1.00 0.00 O ATOM 0 H SER A 5 1.321 -0.201 24.306 1.00 0.00 H new ATOM 0 HA SER A 5 1.473 -0.256 21.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.539 -1.877 23.095 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.957 -2.527 23.479 1.00 0.00 H new ATOM 0 HG SER A 5 2.038 -3.757 21.836 1.00 0.00 H new ATOM 48 N SER A 6 -1.361 -1.503 22.698 1.00 0.00 N ATOM 49 CA SER A 6 -2.752 -1.778 22.356 1.00 0.00 C ATOM 50 C SER A 6 -3.630 -0.561 22.631 1.00 0.00 C ATOM 51 O SER A 6 -4.046 0.139 21.709 1.00 0.00 O ATOM 52 CB SER A 6 -3.265 -2.982 23.149 1.00 0.00 C ATOM 53 OG SER A 6 -2.573 -4.164 22.788 1.00 0.00 O ATOM 0 H SER A 6 -1.097 -1.778 23.644 1.00 0.00 H new ATOM 0 HA SER A 6 -2.801 -2.006 21.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.143 -2.797 24.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.332 -3.112 22.968 1.00 0.00 H new ATOM 0 HG SER A 6 -2.919 -4.918 23.310 1.00 0.00 H new ATOM 59 N GLY A 7 -3.907 -0.316 23.908 1.00 0.00 N ATOM 60 CA GLY A 7 -4.734 0.816 24.283 1.00 0.00 C ATOM 61 C GLY A 7 -6.177 0.650 23.847 1.00 0.00 C ATOM 62 O GLY A 7 -6.683 1.431 23.042 1.00 0.00 O ATOM 0 H GLY A 7 -3.574 -0.881 24.689 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.697 0.946 25.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.325 1.724 23.838 1.00 0.00 H new ATOM 66 N SER A 8 -6.840 -0.371 24.379 1.00 0.00 N ATOM 67 CA SER A 8 -8.231 -0.641 24.037 1.00 0.00 C ATOM 68 C SER A 8 -8.445 -0.558 22.528 1.00 0.00 C ATOM 69 O SER A 8 -9.299 0.180 22.037 1.00 0.00 O ATOM 70 CB SER A 8 -9.155 0.348 24.750 1.00 0.00 C ATOM 71 OG SER A 8 -9.264 0.041 26.129 1.00 0.00 O ATOM 0 H SER A 8 -6.436 -1.025 25.049 1.00 0.00 H new ATOM 0 HA SER A 8 -8.471 -1.652 24.366 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.771 1.361 24.629 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.143 0.324 24.290 1.00 0.00 H new ATOM 0 HG SER A 8 -9.858 0.689 26.562 1.00 0.00 H new ATOM 77 N PRO A 9 -7.650 -1.332 21.775 1.00 0.00 N ATOM 78 CA PRO A 9 -7.733 -1.365 20.312 1.00 0.00 C ATOM 79 C PRO A 9 -9.014 -2.030 19.818 1.00 0.00 C ATOM 80 O PRO A 9 -9.923 -2.305 20.601 1.00 0.00 O ATOM 81 CB PRO A 9 -6.511 -2.192 19.906 1.00 0.00 C ATOM 82 CG PRO A 9 -6.223 -3.050 21.089 1.00 0.00 C ATOM 83 CD PRO A 9 -6.610 -2.237 22.294 1.00 0.00 C ATOM 0 HA PRO A 9 -7.749 -0.363 19.882 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.717 -2.794 19.021 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.662 -1.552 19.665 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.792 -3.979 21.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.169 -3.324 21.125 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.990 -2.867 23.098 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.761 -1.685 22.696 1.00 0.00 H new ATOM 91 N ALA A 10 -9.078 -2.286 18.516 1.00 0.00 N ATOM 92 CA ALA A 10 -10.246 -2.921 17.919 1.00 0.00 C ATOM 93 C ALA A 10 -9.865 -4.214 17.207 1.00 0.00 C ATOM 94 O ALA A 10 -8.717 -4.417 16.810 1.00 0.00 O ATOM 95 CB ALA A 10 -10.930 -1.966 16.952 1.00 0.00 C ATOM 0 H ALA A 10 -8.334 -2.063 17.854 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.942 -3.170 18.720 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.801 -2.454 16.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.247 -1.071 17.487 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.233 -1.688 16.161 1.00 0.00 H new ATOM 101 N PRO A 11 -10.848 -5.111 17.040 1.00 0.00 N ATOM 102 CA PRO A 11 -10.638 -6.401 16.375 1.00 0.00 C ATOM 103 C PRO A 11 -10.391 -6.248 14.879 1.00 0.00 C ATOM 104 O PRO A 11 -10.641 -5.189 14.303 1.00 0.00 O ATOM 105 CB PRO A 11 -11.951 -7.147 16.627 1.00 0.00 C ATOM 106 CG PRO A 11 -12.965 -6.074 16.825 1.00 0.00 C ATOM 107 CD PRO A 11 -12.240 -4.936 17.488 1.00 0.00 C ATOM 0 HA PRO A 11 -9.758 -6.918 16.757 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.211 -7.786 15.783 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.879 -7.790 17.504 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.394 -5.762 15.873 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.789 -6.426 17.445 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.642 -3.970 17.182 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.322 -4.986 18.574 1.00 0.00 H new ATOM 115 N VAL A 12 -9.899 -7.313 14.253 1.00 0.00 N ATOM 116 CA VAL A 12 -9.620 -7.297 12.822 1.00 0.00 C ATOM 117 C VAL A 12 -10.020 -8.616 12.169 1.00 0.00 C ATOM 118 O VAL A 12 -9.726 -9.691 12.691 1.00 0.00 O ATOM 119 CB VAL A 12 -8.129 -7.031 12.544 1.00 0.00 C ATOM 120 CG1 VAL A 12 -7.851 -7.057 11.049 1.00 0.00 C ATOM 121 CG2 VAL A 12 -7.703 -5.702 13.150 1.00 0.00 C ATOM 0 H VAL A 12 -9.686 -8.197 14.715 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.212 -6.488 12.393 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.544 -7.823 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.792 -6.867 10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.116 -8.035 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.445 -6.288 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.647 -5.530 12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.294 -4.897 12.713 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.863 -5.726 14.228 1.00 0.00 H new ATOM 131 N GLN A 13 -10.691 -8.524 11.026 1.00 0.00 N ATOM 132 CA GLN A 13 -11.132 -9.711 10.302 1.00 0.00 C ATOM 133 C GLN A 13 -10.591 -9.711 8.876 1.00 0.00 C ATOM 134 O GLN A 13 -10.242 -8.662 8.335 1.00 0.00 O ATOM 135 CB GLN A 13 -12.659 -9.784 10.282 1.00 0.00 C ATOM 136 CG GLN A 13 -13.261 -10.313 11.574 1.00 0.00 C ATOM 137 CD GLN A 13 -13.152 -11.821 11.694 1.00 0.00 C ATOM 138 OE1 GLN A 13 -12.073 -12.392 11.532 1.00 0.00 O ATOM 139 NE2 GLN A 13 -14.272 -12.474 11.979 1.00 0.00 N ATOM 0 H GLN A 13 -10.941 -7.641 10.581 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.741 -10.587 10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.059 -8.789 10.085 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.973 -10.423 9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.758 -9.848 12.422 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.310 -10.023 11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.144 -11.960 12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.261 -13.490 12.072 1.00 0.00 H new ATOM 148 N ASP A 14 -10.526 -10.893 8.273 1.00 0.00 N ATOM 149 CA ASP A 14 -10.028 -11.029 6.909 1.00 0.00 C ATOM 150 C ASP A 14 -10.174 -12.466 6.418 1.00 0.00 C ATOM 151 O ASP A 14 -10.322 -13.403 7.202 1.00 0.00 O ATOM 152 CB ASP A 14 -8.563 -10.597 6.832 1.00 0.00 C ATOM 153 CG ASP A 14 -8.410 -9.120 6.527 1.00 0.00 C ATOM 154 OD1 ASP A 14 -8.874 -8.685 5.452 1.00 0.00 O ATOM 155 OD2 ASP A 14 -7.826 -8.398 7.363 1.00 0.00 O ATOM 0 H ASP A 14 -10.812 -11.771 8.707 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.623 -10.382 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.071 -10.823 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.056 -11.178 6.062 1.00 0.00 H new ATOM 160 N PRO A 15 -10.134 -12.645 5.090 1.00 0.00 N ATOM 161 CA PRO A 15 -10.260 -13.964 4.464 1.00 0.00 C ATOM 162 C PRO A 15 -9.042 -14.846 4.719 1.00 0.00 C ATOM 163 O PRO A 15 -8.985 -15.571 5.712 1.00 0.00 O ATOM 164 CB PRO A 15 -10.383 -13.640 2.973 1.00 0.00 C ATOM 165 CG PRO A 15 -9.709 -12.321 2.816 1.00 0.00 C ATOM 166 CD PRO A 15 -9.960 -11.572 4.096 1.00 0.00 C ATOM 0 HA PRO A 15 -11.105 -14.525 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.905 -14.405 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.427 -13.591 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.641 -12.447 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.110 -11.777 1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.125 -10.920 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.846 -10.942 4.026 1.00 0.00 H new ATOM 174 N HIS A 16 -8.069 -14.778 3.816 1.00 0.00 N ATOM 175 CA HIS A 16 -6.851 -15.570 3.944 1.00 0.00 C ATOM 176 C HIS A 16 -5.631 -14.668 4.106 1.00 0.00 C ATOM 177 O HIS A 16 -4.524 -15.024 3.702 1.00 0.00 O ATOM 178 CB HIS A 16 -6.673 -16.472 2.722 1.00 0.00 C ATOM 179 CG HIS A 16 -7.779 -17.467 2.546 1.00 0.00 C ATOM 180 ND1 HIS A 16 -7.564 -18.766 2.138 1.00 0.00 N ATOM 181 CD2 HIS A 16 -9.115 -17.347 2.727 1.00 0.00 C ATOM 182 CE1 HIS A 16 -8.720 -19.402 2.074 1.00 0.00 C ATOM 183 NE2 HIS A 16 -9.677 -18.563 2.427 1.00 0.00 N ATOM 0 H HIS A 16 -8.100 -14.183 2.988 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.943 -16.191 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.608 -15.851 1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.726 -17.005 2.809 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.654 -19.173 1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.641 -16.460 3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.859 -20.433 1.783 1.00 0.00 H new ATOM 192 N LEU A 17 -5.842 -13.498 4.700 1.00 0.00 N ATOM 193 CA LEU A 17 -4.760 -12.544 4.916 1.00 0.00 C ATOM 194 C LEU A 17 -3.728 -13.102 5.892 1.00 0.00 C ATOM 195 O LEU A 17 -3.966 -13.153 7.099 1.00 0.00 O ATOM 196 CB LEU A 17 -5.317 -11.222 5.446 1.00 0.00 C ATOM 197 CG LEU A 17 -4.542 -9.962 5.058 1.00 0.00 C ATOM 198 CD1 LEU A 17 -3.082 -10.088 5.465 1.00 0.00 C ATOM 199 CD2 LEU A 17 -4.660 -9.702 3.564 1.00 0.00 C ATOM 0 H LEU A 17 -6.752 -13.188 5.040 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.269 -12.367 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.343 -11.116 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.358 -11.278 6.534 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.975 -9.114 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.546 -9.182 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.016 -10.226 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.637 -10.946 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.102 -8.802 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.253 -10.551 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.709 -9.567 3.300 1.00 0.00 H new ATOM 211 N ILE A 18 -2.583 -13.516 5.361 1.00 0.00 N ATOM 212 CA ILE A 18 -1.515 -14.067 6.185 1.00 0.00 C ATOM 213 C ILE A 18 -0.387 -13.057 6.370 1.00 0.00 C ATOM 214 O ILE A 18 -0.379 -11.997 5.744 1.00 0.00 O ATOM 215 CB ILE A 18 -0.938 -15.357 5.573 1.00 0.00 C ATOM 216 CG1 ILE A 18 -0.271 -15.055 4.229 1.00 0.00 C ATOM 217 CG2 ILE A 18 -2.034 -16.398 5.404 1.00 0.00 C ATOM 218 CD1 ILE A 18 0.882 -15.979 3.907 1.00 0.00 C ATOM 0 H ILE A 18 -2.371 -13.480 4.364 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.954 -14.300 7.155 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.184 -15.758 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.017 -15.128 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.089 -14.026 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.611 -17.304 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.469 -16.630 6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.808 -16.007 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.307 -15.707 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.647 -15.889 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.524 -17.008 3.870 1.00 0.00 H new ATOM 230 N LYS A 19 0.566 -13.394 7.233 1.00 0.00 N ATOM 231 CA LYS A 19 1.701 -12.519 7.499 1.00 0.00 C ATOM 232 C LYS A 19 2.982 -13.094 6.903 1.00 0.00 C ATOM 233 O LYS A 19 3.182 -14.309 6.890 1.00 0.00 O ATOM 234 CB LYS A 19 1.874 -12.317 9.006 1.00 0.00 C ATOM 235 CG LYS A 19 2.981 -11.342 9.366 1.00 0.00 C ATOM 236 CD LYS A 19 4.318 -12.049 9.521 1.00 0.00 C ATOM 237 CE LYS A 19 4.398 -12.806 10.838 1.00 0.00 C ATOM 238 NZ LYS A 19 5.649 -13.608 10.941 1.00 0.00 N ATOM 0 H LYS A 19 0.574 -14.267 7.760 1.00 0.00 H new ATOM 0 HA LYS A 19 1.502 -11.555 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.934 -11.958 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.084 -13.280 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.060 -10.578 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.729 -10.831 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.463 -12.742 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.125 -11.318 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.350 -12.099 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.535 -13.465 10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.724 -14.014 11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.628 -14.376 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.470 -12.996 10.760 1.00 0.00 H new ATOM 252 N VAL A 20 3.849 -12.213 6.412 1.00 0.00 N ATOM 253 CA VAL A 20 5.112 -12.633 5.817 1.00 0.00 C ATOM 254 C VAL A 20 6.251 -11.713 6.239 1.00 0.00 C ATOM 255 O VAL A 20 6.223 -10.510 5.978 1.00 0.00 O ATOM 256 CB VAL A 20 5.028 -12.656 4.279 1.00 0.00 C ATOM 257 CG1 VAL A 20 6.411 -12.828 3.671 1.00 0.00 C ATOM 258 CG2 VAL A 20 4.091 -13.760 3.813 1.00 0.00 C ATOM 0 H VAL A 20 3.699 -11.204 6.415 1.00 0.00 H new ATOM 0 HA VAL A 20 5.311 -13.642 6.178 1.00 0.00 H new ATOM 0 HB VAL A 20 4.625 -11.702 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.331 -12.842 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.049 -11.999 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.846 -13.767 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.044 -13.762 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.462 -14.724 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.094 -13.587 4.219 1.00 0.00 H new ATOM 268 N THR A 21 7.256 -12.287 6.894 1.00 0.00 N ATOM 269 CA THR A 21 8.406 -11.518 7.354 1.00 0.00 C ATOM 270 C THR A 21 9.538 -11.559 6.334 1.00 0.00 C ATOM 271 O THR A 21 10.054 -12.628 6.008 1.00 0.00 O ATOM 272 CB THR A 21 8.928 -12.043 8.705 1.00 0.00 C ATOM 273 OG1 THR A 21 8.012 -11.699 9.751 1.00 0.00 O ATOM 274 CG2 THR A 21 10.301 -11.466 9.016 1.00 0.00 C ATOM 0 H THR A 21 7.297 -13.281 7.118 1.00 0.00 H new ATOM 0 HA THR A 21 8.069 -10.489 7.478 1.00 0.00 H new ATOM 0 HB THR A 21 9.014 -13.128 8.640 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.156 -10.767 10.018 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.649 -11.851 9.975 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.003 -11.754 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.237 -10.379 9.063 1.00 0.00 H new ATOM 282 N VAL A 22 9.921 -10.389 5.835 1.00 0.00 N ATOM 283 CA VAL A 22 10.994 -10.291 4.852 1.00 0.00 C ATOM 284 C VAL A 22 12.342 -10.074 5.531 1.00 0.00 C ATOM 285 O VAL A 22 12.591 -9.023 6.122 1.00 0.00 O ATOM 286 CB VAL A 22 10.742 -9.142 3.858 1.00 0.00 C ATOM 287 CG1 VAL A 22 11.858 -9.073 2.827 1.00 0.00 C ATOM 288 CG2 VAL A 22 9.389 -9.310 3.182 1.00 0.00 C ATOM 0 H VAL A 22 9.504 -9.495 6.095 1.00 0.00 H new ATOM 0 HA VAL A 22 11.012 -11.235 4.307 1.00 0.00 H new ATOM 0 HB VAL A 22 10.732 -8.202 4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.662 -8.255 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.809 -8.902 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.903 -10.013 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.227 -8.490 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.367 -10.257 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.602 -9.304 3.936 1.00 0.00 H new ATOM 298 N LYS A 23 13.210 -11.076 5.442 1.00 0.00 N ATOM 299 CA LYS A 23 14.535 -10.996 6.046 1.00 0.00 C ATOM 300 C LYS A 23 15.575 -10.555 5.020 1.00 0.00 C ATOM 301 O LYS A 23 15.927 -11.310 4.113 1.00 0.00 O ATOM 302 CB LYS A 23 14.931 -12.350 6.638 1.00 0.00 C ATOM 303 CG LYS A 23 14.567 -12.502 8.105 1.00 0.00 C ATOM 304 CD LYS A 23 15.529 -13.433 8.825 1.00 0.00 C ATOM 305 CE LYS A 23 16.757 -12.688 9.325 1.00 0.00 C ATOM 306 NZ LYS A 23 17.540 -13.500 10.298 1.00 0.00 N ATOM 0 H LYS A 23 13.020 -11.953 4.957 1.00 0.00 H new ATOM 0 HA LYS A 23 14.499 -10.254 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.446 -13.142 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.006 -12.487 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.577 -11.524 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.552 -12.889 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.020 -13.904 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.837 -14.232 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.391 -12.424 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.449 -11.754 9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.369 -12.958 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.943 -13.731 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.856 -14.379 9.841 1.00 0.00 H new ATOM 320 N THR A 24 16.064 -9.328 5.170 1.00 0.00 N ATOM 321 CA THR A 24 17.063 -8.787 4.258 1.00 0.00 C ATOM 322 C THR A 24 18.410 -8.621 4.952 1.00 0.00 C ATOM 323 O THR A 24 18.494 -8.499 6.174 1.00 0.00 O ATOM 324 CB THR A 24 16.623 -7.426 3.686 1.00 0.00 C ATOM 325 OG1 THR A 24 17.168 -6.363 4.475 1.00 0.00 O ATOM 326 CG2 THR A 24 15.106 -7.316 3.656 1.00 0.00 C ATOM 0 H THR A 24 15.784 -8.690 5.915 1.00 0.00 H new ATOM 0 HA THR A 24 17.164 -9.502 3.441 1.00 0.00 H new ATOM 0 HB THR A 24 16.997 -7.348 2.665 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.506 -5.645 4.559 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.819 -6.347 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.696 -8.108 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.714 -7.414 4.668 1.00 0.00 H new ATOM 334 N PRO A 25 19.490 -8.617 4.157 1.00 0.00 N ATOM 335 CA PRO A 25 20.853 -8.466 4.674 1.00 0.00 C ATOM 336 C PRO A 25 21.119 -7.062 5.208 1.00 0.00 C ATOM 337 O PRO A 25 22.236 -6.742 5.614 1.00 0.00 O ATOM 338 CB PRO A 25 21.730 -8.747 3.452 1.00 0.00 C ATOM 339 CG PRO A 25 20.869 -8.413 2.283 1.00 0.00 C ATOM 340 CD PRO A 25 19.464 -8.758 2.691 1.00 0.00 C ATOM 0 HA PRO A 25 21.045 -9.132 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 25 22.634 -8.138 3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 25 22.048 -9.789 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 25 20.952 -7.357 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 25 21.170 -8.980 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.737 -8.086 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.195 -9.770 2.389 1.00 0.00 H new ATOM 348 N LYS A 26 20.084 -6.228 5.205 1.00 0.00 N ATOM 349 CA LYS A 26 20.204 -4.858 5.690 1.00 0.00 C ATOM 350 C LYS A 26 19.164 -4.569 6.767 1.00 0.00 C ATOM 351 O LYS A 26 19.358 -3.695 7.612 1.00 0.00 O ATOM 352 CB LYS A 26 20.044 -3.869 4.533 1.00 0.00 C ATOM 353 CG LYS A 26 21.040 -4.084 3.407 1.00 0.00 C ATOM 354 CD LYS A 26 20.587 -3.406 2.125 1.00 0.00 C ATOM 355 CE LYS A 26 21.331 -3.948 0.914 1.00 0.00 C ATOM 356 NZ LYS A 26 20.713 -3.499 -0.364 1.00 0.00 N ATOM 0 H LYS A 26 19.153 -6.477 4.872 1.00 0.00 H new ATOM 0 HA LYS A 26 21.196 -4.740 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.033 -3.951 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.154 -2.854 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 26 22.014 -3.693 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 26 21.166 -5.152 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.516 -3.556 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.751 -2.331 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 26 22.370 -3.620 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 21.339 -5.037 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.249 -3.890 -1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.729 -3.833 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.728 -2.460 -0.411 1.00 0.00 H new ATOM 370 N ASP A 27 18.062 -5.310 6.733 1.00 0.00 N ATOM 371 CA ASP A 27 16.992 -5.135 7.708 1.00 0.00 C ATOM 372 C ASP A 27 15.900 -6.182 7.510 1.00 0.00 C ATOM 373 O ASP A 27 15.996 -7.036 6.628 1.00 0.00 O ATOM 374 CB ASP A 27 16.396 -3.731 7.597 1.00 0.00 C ATOM 375 CG ASP A 27 17.098 -2.731 8.495 1.00 0.00 C ATOM 376 OD1 ASP A 27 17.747 -3.163 9.470 1.00 0.00 O ATOM 377 OD2 ASP A 27 16.998 -1.517 8.222 1.00 0.00 O ATOM 0 H ASP A 27 17.886 -6.038 6.040 1.00 0.00 H new ATOM 0 HA ASP A 27 17.417 -5.263 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.460 -3.393 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.338 -3.767 7.856 1.00 0.00 H new ATOM 382 N LYS A 28 14.862 -6.110 8.337 1.00 0.00 N ATOM 383 CA LYS A 28 13.751 -7.051 8.254 1.00 0.00 C ATOM 384 C LYS A 28 12.437 -6.375 8.632 1.00 0.00 C ATOM 385 O LYS A 28 12.383 -5.587 9.575 1.00 0.00 O ATOM 386 CB LYS A 28 14.002 -8.250 9.171 1.00 0.00 C ATOM 387 CG LYS A 28 13.721 -7.965 10.636 1.00 0.00 C ATOM 388 CD LYS A 28 12.267 -8.232 10.987 1.00 0.00 C ATOM 389 CE LYS A 28 11.796 -7.341 12.126 1.00 0.00 C ATOM 390 NZ LYS A 28 12.421 -7.721 13.423 1.00 0.00 N ATOM 0 H LYS A 28 14.767 -5.410 9.072 1.00 0.00 H new ATOM 0 HA LYS A 28 13.678 -7.399 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.378 -9.082 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.039 -8.568 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.366 -8.585 11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.965 -6.926 10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.643 -8.063 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.146 -9.278 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.036 -6.303 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.711 -7.406 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.074 -7.090 14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.171 -8.704 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.455 -7.635 13.349 1.00 0.00 H new ATOM 404 N GLU A 29 11.380 -6.690 7.889 1.00 0.00 N ATOM 405 CA GLU A 29 10.066 -6.112 8.148 1.00 0.00 C ATOM 406 C GLU A 29 8.964 -7.141 7.912 1.00 0.00 C ATOM 407 O GLU A 29 9.098 -8.029 7.071 1.00 0.00 O ATOM 408 CB GLU A 29 9.837 -4.890 7.257 1.00 0.00 C ATOM 409 CG GLU A 29 8.890 -3.866 7.859 1.00 0.00 C ATOM 410 CD GLU A 29 9.510 -3.108 9.017 1.00 0.00 C ATOM 411 OE1 GLU A 29 10.579 -2.494 8.819 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.927 -3.130 10.121 1.00 0.00 O ATOM 0 H GLU A 29 11.408 -7.341 7.104 1.00 0.00 H new ATOM 0 HA GLU A 29 10.033 -5.802 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.796 -4.412 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.439 -5.220 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.587 -3.159 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.986 -4.370 8.202 1.00 0.00 H new ATOM 419 N ASP A 30 7.874 -7.013 8.662 1.00 0.00 N ATOM 420 CA ASP A 30 6.748 -7.931 8.535 1.00 0.00 C ATOM 421 C ASP A 30 5.672 -7.348 7.624 1.00 0.00 C ATOM 422 O ASP A 30 5.369 -6.156 7.687 1.00 0.00 O ATOM 423 CB ASP A 30 6.156 -8.238 9.912 1.00 0.00 C ATOM 424 CG ASP A 30 7.186 -8.143 11.020 1.00 0.00 C ATOM 425 OD1 ASP A 30 7.706 -7.032 11.252 1.00 0.00 O ATOM 426 OD2 ASP A 30 7.474 -9.180 11.653 1.00 0.00 O ATOM 0 H ASP A 30 7.747 -6.283 9.363 1.00 0.00 H new ATOM 0 HA ASP A 30 7.113 -8.857 8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.341 -7.543 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.726 -9.240 9.904 1.00 0.00 H new ATOM 431 N PHE A 31 5.100 -8.196 6.776 1.00 0.00 N ATOM 432 CA PHE A 31 4.059 -7.764 5.849 1.00 0.00 C ATOM 433 C PHE A 31 2.794 -8.599 6.026 1.00 0.00 C ATOM 434 O PHE A 31 2.826 -9.677 6.618 1.00 0.00 O ATOM 435 CB PHE A 31 4.556 -7.870 4.406 1.00 0.00 C ATOM 436 CG PHE A 31 5.662 -6.908 4.081 1.00 0.00 C ATOM 437 CD1 PHE A 31 6.930 -7.084 4.611 1.00 0.00 C ATOM 438 CD2 PHE A 31 5.434 -5.827 3.244 1.00 0.00 C ATOM 439 CE1 PHE A 31 7.949 -6.199 4.314 1.00 0.00 C ATOM 440 CE2 PHE A 31 6.450 -4.939 2.942 1.00 0.00 C ATOM 441 CZ PHE A 31 7.709 -5.126 3.478 1.00 0.00 C ATOM 0 H PHE A 31 5.339 -9.185 6.711 1.00 0.00 H new ATOM 0 HA PHE A 31 3.820 -6.723 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.904 -8.887 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.721 -7.693 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.124 -7.922 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.451 -5.676 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.932 -6.346 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.259 -4.101 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.505 -4.434 3.244 1.00 0.00 H new ATOM 451 N SER A 32 1.680 -8.090 5.508 1.00 0.00 N ATOM 452 CA SER A 32 0.402 -8.785 5.612 1.00 0.00 C ATOM 453 C SER A 32 -0.274 -8.885 4.248 1.00 0.00 C ATOM 454 O SER A 32 -0.673 -7.877 3.665 1.00 0.00 O ATOM 455 CB SER A 32 -0.517 -8.062 6.598 1.00 0.00 C ATOM 456 OG SER A 32 -0.732 -6.718 6.204 1.00 0.00 O ATOM 0 H SER A 32 1.637 -7.199 5.013 1.00 0.00 H new ATOM 0 HA SER A 32 0.593 -9.794 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.472 -8.584 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.077 -8.086 7.595 1.00 0.00 H new ATOM 0 HG SER A 32 -0.812 -6.672 5.228 1.00 0.00 H new ATOM 462 N VAL A 33 -0.400 -10.109 3.745 1.00 0.00 N ATOM 463 CA VAL A 33 -1.029 -10.343 2.451 1.00 0.00 C ATOM 464 C VAL A 33 -1.710 -11.706 2.409 1.00 0.00 C ATOM 465 O VAL A 33 -1.374 -12.605 3.181 1.00 0.00 O ATOM 466 CB VAL A 33 -0.003 -10.259 1.305 1.00 0.00 C ATOM 467 CG1 VAL A 33 0.442 -8.820 1.092 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.190 -11.158 1.592 1.00 0.00 C ATOM 0 H VAL A 33 -0.075 -10.954 4.214 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.777 -9.562 2.317 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.478 -10.607 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.167 -8.780 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.422 -8.206 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.901 -8.442 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.905 -11.087 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.668 -10.843 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.853 -12.190 1.690 1.00 0.00 H new ATOM 478 N THR A 34 -2.670 -11.855 1.501 1.00 0.00 N ATOM 479 CA THR A 34 -3.399 -13.108 1.358 1.00 0.00 C ATOM 480 C THR A 34 -2.515 -14.193 0.755 1.00 0.00 C ATOM 481 O THR A 34 -1.690 -13.921 -0.118 1.00 0.00 O ATOM 482 CB THR A 34 -4.651 -12.932 0.477 1.00 0.00 C ATOM 483 OG1 THR A 34 -4.363 -12.047 -0.611 1.00 0.00 O ATOM 484 CG2 THR A 34 -5.813 -12.384 1.291 1.00 0.00 C ATOM 0 H THR A 34 -2.960 -11.122 0.854 1.00 0.00 H new ATOM 0 HA THR A 34 -3.708 -13.410 2.359 1.00 0.00 H new ATOM 0 HB THR A 34 -4.933 -13.909 0.085 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.163 -11.941 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.685 -12.268 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.048 -13.075 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.539 -11.415 1.709 1.00 0.00 H new ATOM 492 N ASP A 35 -2.693 -15.423 1.224 1.00 0.00 N ATOM 493 CA ASP A 35 -1.911 -16.551 0.729 1.00 0.00 C ATOM 494 C ASP A 35 -1.999 -16.647 -0.791 1.00 0.00 C ATOM 495 O ASP A 35 -1.083 -17.144 -1.447 1.00 0.00 O ATOM 496 CB ASP A 35 -2.399 -17.854 1.363 1.00 0.00 C ATOM 497 CG ASP A 35 -3.647 -18.394 0.692 1.00 0.00 C ATOM 498 OD1 ASP A 35 -3.526 -18.963 -0.413 1.00 0.00 O ATOM 499 OD2 ASP A 35 -4.744 -18.246 1.270 1.00 0.00 O ATOM 0 H ASP A 35 -3.372 -15.665 1.946 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.869 -16.389 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.607 -18.601 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.603 -17.686 2.421 1.00 0.00 H new ATOM 504 N THR A 36 -3.107 -16.167 -1.347 1.00 0.00 N ATOM 505 CA THR A 36 -3.316 -16.201 -2.789 1.00 0.00 C ATOM 506 C THR A 36 -2.391 -15.220 -3.501 1.00 0.00 C ATOM 507 O THR A 36 -2.103 -15.374 -4.688 1.00 0.00 O ATOM 508 CB THR A 36 -4.775 -15.870 -3.153 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.953 -15.936 -4.573 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.157 -14.485 -2.653 1.00 0.00 C ATOM 0 H THR A 36 -3.874 -15.750 -0.820 1.00 0.00 H new ATOM 0 HA THR A 36 -3.089 -17.215 -3.118 1.00 0.00 H new ATOM 0 HB THR A 36 -5.422 -16.604 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.884 -15.726 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.192 -14.274 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.049 -14.447 -1.569 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.504 -13.741 -3.109 1.00 0.00 H new ATOM 518 N CYS A 37 -1.929 -14.213 -2.769 1.00 0.00 N ATOM 519 CA CYS A 37 -1.036 -13.206 -3.331 1.00 0.00 C ATOM 520 C CYS A 37 0.150 -13.861 -4.033 1.00 0.00 C ATOM 521 O CYS A 37 0.657 -14.891 -3.588 1.00 0.00 O ATOM 522 CB CYS A 37 -0.538 -12.265 -2.233 1.00 0.00 C ATOM 523 SG CYS A 37 0.501 -10.913 -2.834 1.00 0.00 S ATOM 0 H CYS A 37 -2.158 -14.072 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.597 -12.629 -4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.398 -11.844 -1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.025 -12.844 -1.501 1.00 0.00 H new ATOM 0 HG CYS A 37 1.421 -11.389 -3.619 1.00 0.00 H new ATOM 529 N THR A 38 0.587 -13.258 -5.134 1.00 0.00 N ATOM 530 CA THR A 38 1.710 -13.783 -5.899 1.00 0.00 C ATOM 531 C THR A 38 3.020 -13.134 -5.468 1.00 0.00 C ATOM 532 O THR A 38 3.031 -12.009 -4.968 1.00 0.00 O ATOM 533 CB THR A 38 1.513 -13.562 -7.410 1.00 0.00 C ATOM 534 OG1 THR A 38 1.036 -12.234 -7.653 1.00 0.00 O ATOM 535 CG2 THR A 38 0.529 -14.572 -7.981 1.00 0.00 C ATOM 0 H THR A 38 0.179 -12.405 -5.516 1.00 0.00 H new ATOM 0 HA THR A 38 1.755 -14.854 -5.699 1.00 0.00 H new ATOM 0 HB THR A 38 2.476 -13.698 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.915 -12.101 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.406 -14.396 -9.050 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.909 -15.581 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.434 -14.464 -7.482 1.00 0.00 H new ATOM 543 N ILE A 39 4.123 -13.850 -5.665 1.00 0.00 N ATOM 544 CA ILE A 39 5.439 -13.341 -5.299 1.00 0.00 C ATOM 545 C ILE A 39 5.709 -11.992 -5.955 1.00 0.00 C ATOM 546 O ILE A 39 6.135 -11.045 -5.296 1.00 0.00 O ATOM 547 CB ILE A 39 6.553 -14.326 -5.697 1.00 0.00 C ATOM 548 CG1 ILE A 39 6.239 -15.728 -5.169 1.00 0.00 C ATOM 549 CG2 ILE A 39 7.898 -13.846 -5.170 1.00 0.00 C ATOM 550 CD1 ILE A 39 6.015 -15.774 -3.674 1.00 0.00 C ATOM 0 H ILE A 39 4.131 -14.784 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 39 5.441 -13.221 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 39 6.605 -14.371 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.350 -16.107 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.061 -16.397 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.676 -14.553 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.124 -12.866 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.859 -13.775 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.797 -16.798 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.911 -15.426 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.174 -15.131 -3.412 1.00 0.00 H new ATOM 562 N GLN A 40 5.457 -11.913 -7.258 1.00 0.00 N ATOM 563 CA GLN A 40 5.673 -10.678 -8.004 1.00 0.00 C ATOM 564 C GLN A 40 4.855 -9.535 -7.412 1.00 0.00 C ATOM 565 O GLN A 40 5.263 -8.375 -7.466 1.00 0.00 O ATOM 566 CB GLN A 40 5.305 -10.876 -9.475 1.00 0.00 C ATOM 567 CG GLN A 40 3.812 -11.032 -9.713 1.00 0.00 C ATOM 568 CD GLN A 40 3.113 -9.705 -9.934 1.00 0.00 C ATOM 569 OE1 GLN A 40 2.087 -9.420 -9.316 1.00 0.00 O ATOM 570 NE2 GLN A 40 3.668 -8.884 -10.818 1.00 0.00 N ATOM 0 H GLN A 40 5.104 -12.688 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 40 6.729 -10.419 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.669 -10.024 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.819 -11.759 -9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.651 -11.672 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.363 -11.537 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.519 -9.161 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.243 -7.976 -11.008 1.00 0.00 H new ATOM 579 N GLN A 41 3.699 -9.871 -6.848 1.00 0.00 N ATOM 580 CA GLN A 41 2.824 -8.871 -6.247 1.00 0.00 C ATOM 581 C GLN A 41 3.410 -8.350 -4.939 1.00 0.00 C ATOM 582 O GLN A 41 3.081 -7.249 -4.494 1.00 0.00 O ATOM 583 CB GLN A 41 1.435 -9.462 -5.998 1.00 0.00 C ATOM 584 CG GLN A 41 0.464 -9.237 -7.146 1.00 0.00 C ATOM 585 CD GLN A 41 -0.980 -9.182 -6.686 1.00 0.00 C ATOM 586 OE1 GLN A 41 -1.576 -8.107 -6.602 1.00 0.00 O ATOM 587 NE2 GLN A 41 -1.551 -10.342 -6.386 1.00 0.00 N ATOM 0 H GLN A 41 3.347 -10.827 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 41 2.737 -8.036 -6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.532 -10.533 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.020 -9.023 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.716 -8.305 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.579 -10.038 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.020 -11.209 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.521 -10.367 -6.071 1.00 0.00 H new ATOM 596 N LEU A 42 4.279 -9.147 -4.327 1.00 0.00 N ATOM 597 CA LEU A 42 4.911 -8.767 -3.069 1.00 0.00 C ATOM 598 C LEU A 42 5.977 -7.700 -3.296 1.00 0.00 C ATOM 599 O LEU A 42 5.971 -6.653 -2.647 1.00 0.00 O ATOM 600 CB LEU A 42 5.534 -9.992 -2.398 1.00 0.00 C ATOM 601 CG LEU A 42 6.247 -9.740 -1.069 1.00 0.00 C ATOM 602 CD1 LEU A 42 5.301 -9.091 -0.070 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.808 -11.039 -0.509 1.00 0.00 C ATOM 0 H LEU A 42 4.562 -10.060 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 42 4.143 -8.354 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.748 -10.729 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.247 -10.437 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 42 7.077 -9.057 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.826 -8.919 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.949 -8.139 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.450 -9.749 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.312 -10.840 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.995 -11.746 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.520 -11.463 -1.217 1.00 0.00 H new ATOM 615 N LYS A 43 6.890 -7.971 -4.222 1.00 0.00 N ATOM 616 CA LYS A 43 7.961 -7.033 -4.539 1.00 0.00 C ATOM 617 C LYS A 43 7.439 -5.601 -4.570 1.00 0.00 C ATOM 618 O LYS A 43 7.940 -4.732 -3.857 1.00 0.00 O ATOM 619 CB LYS A 43 8.594 -7.386 -5.886 1.00 0.00 C ATOM 620 CG LYS A 43 9.560 -8.557 -5.817 1.00 0.00 C ATOM 621 CD LYS A 43 8.883 -9.862 -6.201 1.00 0.00 C ATOM 622 CE LYS A 43 9.877 -11.011 -6.256 1.00 0.00 C ATOM 623 NZ LYS A 43 10.676 -11.113 -5.003 1.00 0.00 N ATOM 0 H LYS A 43 6.910 -8.833 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 43 8.718 -7.108 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.803 -7.620 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.122 -6.513 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.403 -8.374 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.963 -8.638 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.099 -10.092 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.400 -9.751 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.342 -11.946 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.547 -10.871 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.083 -12.067 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.443 -10.411 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.061 -10.932 -4.184 1.00 0.00 H new ATOM 637 N GLU A 44 6.428 -5.362 -5.400 1.00 0.00 N ATOM 638 CA GLU A 44 5.838 -4.034 -5.523 1.00 0.00 C ATOM 639 C GLU A 44 5.627 -3.404 -4.149 1.00 0.00 C ATOM 640 O GLU A 44 5.759 -2.192 -3.985 1.00 0.00 O ATOM 641 CB GLU A 44 4.506 -4.111 -6.271 1.00 0.00 C ATOM 642 CG GLU A 44 4.634 -4.645 -7.688 1.00 0.00 C ATOM 643 CD GLU A 44 3.324 -4.596 -8.451 1.00 0.00 C ATOM 644 OE1 GLU A 44 2.281 -4.953 -7.864 1.00 0.00 O ATOM 645 OE2 GLU A 44 3.342 -4.198 -9.634 1.00 0.00 O ATOM 0 H GLU A 44 6.001 -6.070 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 44 6.528 -3.408 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.821 -4.749 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.060 -3.117 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.384 -4.064 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.992 -5.674 -7.653 1.00 0.00 H new ATOM 652 N GLU A 45 5.297 -4.237 -3.167 1.00 0.00 N ATOM 653 CA GLU A 45 5.066 -3.761 -1.808 1.00 0.00 C ATOM 654 C GLU A 45 6.387 -3.460 -1.105 1.00 0.00 C ATOM 655 O GLU A 45 6.667 -2.314 -0.751 1.00 0.00 O ATOM 656 CB GLU A 45 4.274 -4.797 -1.008 1.00 0.00 C ATOM 657 CG GLU A 45 2.886 -5.064 -1.565 1.00 0.00 C ATOM 658 CD GLU A 45 1.927 -3.916 -1.317 1.00 0.00 C ATOM 659 OE1 GLU A 45 1.368 -3.841 -0.202 1.00 0.00 O ATOM 660 OE2 GLU A 45 1.736 -3.093 -2.236 1.00 0.00 O ATOM 0 H GLU A 45 5.184 -5.244 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 45 4.487 -2.839 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.834 -5.732 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.183 -4.456 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.958 -5.247 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.485 -5.971 -1.113 1.00 0.00 H new ATOM 667 N ILE A 46 7.193 -4.497 -0.905 1.00 0.00 N ATOM 668 CA ILE A 46 8.483 -4.344 -0.245 1.00 0.00 C ATOM 669 C ILE A 46 9.358 -3.330 -0.975 1.00 0.00 C ATOM 670 O ILE A 46 10.385 -2.893 -0.456 1.00 0.00 O ATOM 671 CB ILE A 46 9.235 -5.686 -0.160 1.00 0.00 C ATOM 672 CG1 ILE A 46 9.015 -6.500 -1.437 1.00 0.00 C ATOM 673 CG2 ILE A 46 8.779 -6.472 1.060 1.00 0.00 C ATOM 674 CD1 ILE A 46 9.978 -7.657 -1.589 1.00 0.00 C ATOM 0 H ILE A 46 6.975 -5.452 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 46 8.280 -3.986 0.764 1.00 0.00 H new ATOM 0 HB ILE A 46 10.301 -5.483 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.995 -6.884 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.112 -5.841 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.319 -7.418 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.981 -5.894 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.709 -6.668 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.764 -8.189 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.000 -7.279 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.865 -8.338 -0.745 1.00 0.00 H new ATOM 686 N SER A 47 8.942 -2.959 -2.181 1.00 0.00 N ATOM 687 CA SER A 47 9.688 -1.997 -2.984 1.00 0.00 C ATOM 688 C SER A 47 9.795 -0.656 -2.265 1.00 0.00 C ATOM 689 O SER A 47 10.848 -0.018 -2.273 1.00 0.00 O ATOM 690 CB SER A 47 9.017 -1.807 -4.345 1.00 0.00 C ATOM 691 OG SER A 47 9.425 -0.592 -4.950 1.00 0.00 O ATOM 0 H SER A 47 8.093 -3.310 -2.624 1.00 0.00 H new ATOM 0 HA SER A 47 10.694 -2.390 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.267 -2.644 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.934 -1.811 -4.224 1.00 0.00 H new ATOM 0 HG SER A 47 10.387 -0.624 -5.132 1.00 0.00 H new ATOM 697 N GLN A 48 8.698 -0.235 -1.645 1.00 0.00 N ATOM 698 CA GLN A 48 8.667 1.030 -0.921 1.00 0.00 C ATOM 699 C GLN A 48 9.178 0.855 0.505 1.00 0.00 C ATOM 700 O GLN A 48 9.842 1.736 1.050 1.00 0.00 O ATOM 701 CB GLN A 48 7.246 1.596 -0.901 1.00 0.00 C ATOM 702 CG GLN A 48 6.279 0.782 -0.056 1.00 0.00 C ATOM 703 CD GLN A 48 4.856 0.843 -0.575 1.00 0.00 C ATOM 704 OE1 GLN A 48 4.557 1.582 -1.514 1.00 0.00 O ATOM 705 NE2 GLN A 48 3.970 0.064 0.033 1.00 0.00 N ATOM 0 H GLN A 48 7.819 -0.751 -1.629 1.00 0.00 H new ATOM 0 HA GLN A 48 9.322 1.731 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.276 2.617 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.869 1.646 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.609 -0.257 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.303 1.148 0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.262 -0.533 0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.997 0.062 -0.274 1.00 0.00 H new ATOM 714 N ARG A 49 8.862 -0.289 1.104 1.00 0.00 N ATOM 715 CA ARG A 49 9.288 -0.579 2.468 1.00 0.00 C ATOM 716 C ARG A 49 10.807 -0.700 2.550 1.00 0.00 C ATOM 717 O ARG A 49 11.419 -0.315 3.546 1.00 0.00 O ATOM 718 CB ARG A 49 8.636 -1.871 2.965 1.00 0.00 C ATOM 719 CG ARG A 49 7.292 -1.653 3.641 1.00 0.00 C ATOM 720 CD ARG A 49 7.456 -1.020 5.014 1.00 0.00 C ATOM 721 NE ARG A 49 6.188 -0.944 5.736 1.00 0.00 N ATOM 722 CZ ARG A 49 6.099 -0.725 7.043 1.00 0.00 C ATOM 723 NH1 ARG A 49 7.198 -0.561 7.768 1.00 0.00 N ATOM 724 NH2 ARG A 49 4.910 -0.670 7.628 1.00 0.00 N ATOM 0 H ARG A 49 8.313 -1.029 0.667 1.00 0.00 H new ATOM 0 HA ARG A 49 8.972 0.248 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.504 -2.549 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.311 -2.362 3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.669 -1.013 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.773 -2.607 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.171 -1.600 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.871 -0.018 4.904 1.00 0.00 H new ATOM 0 HE ARG A 49 5.324 -1.066 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.114 -0.603 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.127 -0.393 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.063 -0.796 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.843 -0.502 8.632 1.00 0.00 H new ATOM 738 N PHE A 50 11.410 -1.238 1.495 1.00 0.00 N ATOM 739 CA PHE A 50 12.857 -1.412 1.447 1.00 0.00 C ATOM 740 C PHE A 50 13.491 -0.425 0.471 1.00 0.00 C ATOM 741 O PHE A 50 14.712 -0.266 0.436 1.00 0.00 O ATOM 742 CB PHE A 50 13.207 -2.845 1.040 1.00 0.00 C ATOM 743 CG PHE A 50 13.084 -3.834 2.164 1.00 0.00 C ATOM 744 CD1 PHE A 50 14.061 -3.917 3.142 1.00 0.00 C ATOM 745 CD2 PHE A 50 11.990 -4.681 2.241 1.00 0.00 C ATOM 746 CE1 PHE A 50 13.950 -4.826 4.177 1.00 0.00 C ATOM 747 CE2 PHE A 50 11.873 -5.592 3.274 1.00 0.00 C ATOM 748 CZ PHE A 50 12.855 -5.665 4.243 1.00 0.00 C ATOM 0 H PHE A 50 10.919 -1.561 0.662 1.00 0.00 H new ATOM 0 HA PHE A 50 13.254 -1.218 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.554 -3.152 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.227 -2.867 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.920 -3.264 3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.220 -4.629 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.719 -4.880 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.015 -6.246 3.324 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.767 -6.377 5.050 1.00 0.00 H new ATOM 758 N LYS A 51 12.653 0.236 -0.320 1.00 0.00 N ATOM 759 CA LYS A 51 13.129 1.209 -1.297 1.00 0.00 C ATOM 760 C LYS A 51 13.969 0.531 -2.375 1.00 0.00 C ATOM 761 O LYS A 51 15.079 0.970 -2.678 1.00 0.00 O ATOM 762 CB LYS A 51 13.951 2.298 -0.604 1.00 0.00 C ATOM 763 CG LYS A 51 13.225 2.966 0.550 1.00 0.00 C ATOM 764 CD LYS A 51 12.023 3.760 0.068 1.00 0.00 C ATOM 765 CE LYS A 51 11.547 4.748 1.122 1.00 0.00 C ATOM 766 NZ LYS A 51 10.905 4.061 2.277 1.00 0.00 N ATOM 0 H LYS A 51 11.640 0.116 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 51 12.260 1.665 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.879 1.861 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.225 3.056 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.900 2.209 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.911 3.628 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.283 4.297 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.212 3.077 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.393 5.338 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.838 5.444 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.169 4.675 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.475 3.170 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.622 3.857 3.002 1.00 0.00 H new ATOM 780 N ALA A 52 13.433 -0.540 -2.951 1.00 0.00 N ATOM 781 CA ALA A 52 14.132 -1.275 -3.997 1.00 0.00 C ATOM 782 C ALA A 52 13.173 -1.698 -5.105 1.00 0.00 C ATOM 783 O ALA A 52 12.039 -2.098 -4.840 1.00 0.00 O ATOM 784 CB ALA A 52 14.832 -2.492 -3.410 1.00 0.00 C ATOM 0 H ALA A 52 12.517 -0.918 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 52 14.881 -0.614 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.350 -3.031 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.553 -2.170 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.095 -3.148 -2.947 1.00 0.00 H new ATOM 790 N HIS A 53 13.636 -1.606 -6.348 1.00 0.00 N ATOM 791 CA HIS A 53 12.818 -1.979 -7.497 1.00 0.00 C ATOM 792 C HIS A 53 12.423 -3.451 -7.428 1.00 0.00 C ATOM 793 O HIS A 53 13.209 -4.312 -7.033 1.00 0.00 O ATOM 794 CB HIS A 53 13.573 -1.703 -8.798 1.00 0.00 C ATOM 795 CG HIS A 53 12.681 -1.325 -9.940 1.00 0.00 C ATOM 796 ND1 HIS A 53 12.211 -2.237 -10.862 1.00 0.00 N ATOM 797 CD2 HIS A 53 12.171 -0.126 -10.305 1.00 0.00 C ATOM 798 CE1 HIS A 53 11.452 -1.614 -11.746 1.00 0.00 C ATOM 799 NE2 HIS A 53 11.411 -0.332 -11.430 1.00 0.00 N ATOM 0 H HIS A 53 14.572 -1.277 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 53 11.910 -1.376 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.292 -0.901 -8.628 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.144 -2.590 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.332 0.817 -9.805 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.950 -2.075 -12.584 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.898 0.388 -11.939 1.00 0.00 H new ATOM 808 N PRO A 54 11.174 -3.748 -7.819 1.00 0.00 N ATOM 809 CA PRO A 54 10.646 -5.115 -7.809 1.00 0.00 C ATOM 810 C PRO A 54 11.294 -5.994 -8.874 1.00 0.00 C ATOM 811 O PRO A 54 11.018 -7.191 -8.956 1.00 0.00 O ATOM 812 CB PRO A 54 9.157 -4.923 -8.108 1.00 0.00 C ATOM 813 CG PRO A 54 9.085 -3.636 -8.856 1.00 0.00 C ATOM 814 CD PRO A 54 10.183 -2.772 -8.301 1.00 0.00 C ATOM 0 HA PRO A 54 10.843 -5.621 -6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.762 -5.748 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.571 -4.881 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.219 -3.798 -9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.112 -3.163 -8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.603 -2.116 -9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.823 -2.133 -7.495 1.00 0.00 H new ATOM 822 N ASP A 55 12.155 -5.393 -9.687 1.00 0.00 N ATOM 823 CA ASP A 55 12.844 -6.122 -10.746 1.00 0.00 C ATOM 824 C ASP A 55 14.161 -6.701 -10.239 1.00 0.00 C ATOM 825 O ASP A 55 14.833 -7.450 -10.947 1.00 0.00 O ATOM 826 CB ASP A 55 13.101 -5.204 -11.942 1.00 0.00 C ATOM 827 CG ASP A 55 14.230 -4.225 -11.687 1.00 0.00 C ATOM 828 OD1 ASP A 55 14.691 -4.139 -10.530 1.00 0.00 O ATOM 829 OD2 ASP A 55 14.653 -3.544 -12.645 1.00 0.00 O ATOM 0 H ASP A 55 12.393 -4.403 -9.633 1.00 0.00 H new ATOM 0 HA ASP A 55 12.204 -6.946 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.339 -5.809 -12.817 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.191 -4.652 -12.175 1.00 0.00 H new ATOM 834 N GLN A 56 14.524 -6.346 -9.011 1.00 0.00 N ATOM 835 CA GLN A 56 15.763 -6.829 -8.412 1.00 0.00 C ATOM 836 C GLN A 56 15.474 -7.706 -7.198 1.00 0.00 C ATOM 837 O GLN A 56 16.128 -8.728 -6.987 1.00 0.00 O ATOM 838 CB GLN A 56 16.650 -5.651 -8.005 1.00 0.00 C ATOM 839 CG GLN A 56 15.870 -4.401 -7.632 1.00 0.00 C ATOM 840 CD GLN A 56 16.743 -3.163 -7.576 1.00 0.00 C ATOM 841 OE1 GLN A 56 17.595 -2.951 -8.439 1.00 0.00 O ATOM 842 NE2 GLN A 56 16.535 -2.337 -6.557 1.00 0.00 N ATOM 0 H GLN A 56 13.979 -5.726 -8.412 1.00 0.00 H new ATOM 0 HA GLN A 56 16.287 -7.430 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.269 -5.949 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.326 -5.415 -8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.072 -4.245 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.395 -4.550 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.818 -2.552 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.092 -1.488 -6.467 1.00 0.00 H new ATOM 851 N LEU A 57 14.491 -7.300 -6.401 1.00 0.00 N ATOM 852 CA LEU A 57 14.115 -8.049 -5.207 1.00 0.00 C ATOM 853 C LEU A 57 14.118 -9.550 -5.482 1.00 0.00 C ATOM 854 O LEU A 57 13.535 -10.013 -6.462 1.00 0.00 O ATOM 855 CB LEU A 57 12.733 -7.611 -4.720 1.00 0.00 C ATOM 856 CG LEU A 57 12.552 -6.112 -4.476 1.00 0.00 C ATOM 857 CD1 LEU A 57 11.244 -5.845 -3.747 1.00 0.00 C ATOM 858 CD2 LEU A 57 13.727 -5.554 -3.688 1.00 0.00 C ATOM 0 H LEU A 57 13.940 -6.456 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 57 14.850 -7.839 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.993 -7.932 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.512 -8.139 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 57 12.516 -5.608 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.132 -4.773 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.411 -6.209 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.250 -6.361 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.581 -4.486 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.795 -6.063 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.649 -5.712 -4.248 1.00 0.00 H new ATOM 870 N VAL A 58 14.777 -10.305 -4.609 1.00 0.00 N ATOM 871 CA VAL A 58 14.852 -11.754 -4.755 1.00 0.00 C ATOM 872 C VAL A 58 14.457 -12.458 -3.462 1.00 0.00 C ATOM 873 O VAL A 58 15.144 -12.345 -2.446 1.00 0.00 O ATOM 874 CB VAL A 58 16.269 -12.203 -5.160 1.00 0.00 C ATOM 875 CG1 VAL A 58 16.298 -13.701 -5.425 1.00 0.00 C ATOM 876 CG2 VAL A 58 16.745 -11.429 -6.379 1.00 0.00 C ATOM 0 H VAL A 58 15.267 -9.937 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 58 14.152 -12.030 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 58 16.949 -11.990 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.307 -14.001 -5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.002 -14.236 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.606 -13.941 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.748 -11.759 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.065 -11.608 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.764 -10.364 -6.149 1.00 0.00 H new ATOM 886 N LEU A 59 13.347 -13.186 -3.507 1.00 0.00 N ATOM 887 CA LEU A 59 12.860 -13.911 -2.339 1.00 0.00 C ATOM 888 C LEU A 59 13.384 -15.344 -2.329 1.00 0.00 C ATOM 889 O LEU A 59 13.425 -16.007 -3.366 1.00 0.00 O ATOM 890 CB LEU A 59 11.330 -13.915 -2.318 1.00 0.00 C ATOM 891 CG LEU A 59 10.659 -12.561 -2.089 1.00 0.00 C ATOM 892 CD1 LEU A 59 9.146 -12.692 -2.186 1.00 0.00 C ATOM 893 CD2 LEU A 59 11.060 -11.988 -0.737 1.00 0.00 C ATOM 0 H LEU A 59 12.767 -13.290 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 59 13.228 -13.403 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.975 -14.318 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.999 -14.599 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 59 10.995 -11.875 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.685 -11.718 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.875 -13.058 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.792 -13.394 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.573 -11.024 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.753 -12.673 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.142 -11.857 -0.704 1.00 0.00 H new ATOM 905 N ILE A 60 13.780 -15.815 -1.152 1.00 0.00 N ATOM 906 CA ILE A 60 14.297 -17.170 -1.007 1.00 0.00 C ATOM 907 C ILE A 60 13.633 -17.891 0.161 1.00 0.00 C ATOM 908 O ILE A 60 13.706 -17.440 1.305 1.00 0.00 O ATOM 909 CB ILE A 60 15.823 -17.171 -0.796 1.00 0.00 C ATOM 910 CG1 ILE A 60 16.534 -16.669 -2.054 1.00 0.00 C ATOM 911 CG2 ILE A 60 16.306 -18.565 -0.428 1.00 0.00 C ATOM 912 CD1 ILE A 60 17.854 -15.986 -1.770 1.00 0.00 C ATOM 0 H ILE A 60 13.753 -15.279 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 60 14.066 -17.696 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 60 16.062 -16.497 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.707 -17.511 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 60 15.879 -15.973 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.386 -18.549 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.820 -18.887 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.058 -19.260 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 60 18.302 -15.656 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 60 17.686 -15.124 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 60 18.526 -16.686 -1.273 1.00 0.00 H new ATOM 924 N PHE A 61 12.987 -19.013 -0.134 1.00 0.00 N ATOM 925 CA PHE A 61 12.310 -19.798 0.893 1.00 0.00 C ATOM 926 C PHE A 61 12.491 -21.292 0.643 1.00 0.00 C ATOM 927 O PHE A 61 12.497 -21.745 -0.502 1.00 0.00 O ATOM 928 CB PHE A 61 10.820 -19.452 0.929 1.00 0.00 C ATOM 929 CG PHE A 61 10.074 -20.131 2.042 1.00 0.00 C ATOM 930 CD1 PHE A 61 9.811 -21.490 1.990 1.00 0.00 C ATOM 931 CD2 PHE A 61 9.635 -19.409 3.141 1.00 0.00 C ATOM 932 CE1 PHE A 61 9.125 -22.118 3.013 1.00 0.00 C ATOM 933 CE2 PHE A 61 8.949 -20.031 4.166 1.00 0.00 C ATOM 934 CZ PHE A 61 8.693 -21.387 4.102 1.00 0.00 C ATOM 0 H PHE A 61 12.917 -19.400 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 61 12.757 -19.552 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.708 -18.373 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.368 -19.729 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.146 -22.066 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.832 -18.348 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.927 -23.178 2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.613 -19.457 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.156 -21.875 4.902 1.00 0.00 H new ATOM 944 N ALA A 62 12.638 -22.053 1.723 1.00 0.00 N ATOM 945 CA ALA A 62 12.818 -23.496 1.622 1.00 0.00 C ATOM 946 C ALA A 62 14.013 -23.840 0.740 1.00 0.00 C ATOM 947 O ALA A 62 14.045 -24.893 0.104 1.00 0.00 O ATOM 948 CB ALA A 62 11.554 -24.149 1.080 1.00 0.00 C ATOM 0 H ALA A 62 12.636 -21.694 2.678 1.00 0.00 H new ATOM 0 HA ALA A 62 13.014 -23.883 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.703 -25.227 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.720 -23.941 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.333 -23.748 0.091 1.00 0.00 H new ATOM 954 N GLY A 63 14.994 -22.943 0.704 1.00 0.00 N ATOM 955 CA GLY A 63 16.178 -23.171 -0.104 1.00 0.00 C ATOM 956 C GLY A 63 15.881 -23.132 -1.590 1.00 0.00 C ATOM 957 O GLY A 63 16.623 -23.696 -2.394 1.00 0.00 O ATOM 0 H GLY A 63 14.990 -22.063 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.927 -22.416 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.608 -24.139 0.152 1.00 0.00 H new ATOM 961 N LYS A 64 14.792 -22.465 -1.957 1.00 0.00 N ATOM 962 CA LYS A 64 14.397 -22.355 -3.356 1.00 0.00 C ATOM 963 C LYS A 64 13.824 -20.973 -3.652 1.00 0.00 C ATOM 964 O LYS A 64 12.977 -20.471 -2.913 1.00 0.00 O ATOM 965 CB LYS A 64 13.366 -23.431 -3.703 1.00 0.00 C ATOM 966 CG LYS A 64 11.998 -23.183 -3.092 1.00 0.00 C ATOM 967 CD LYS A 64 10.971 -24.180 -3.601 1.00 0.00 C ATOM 968 CE LYS A 64 9.554 -23.741 -3.264 1.00 0.00 C ATOM 969 NZ LYS A 64 9.001 -22.815 -4.290 1.00 0.00 N ATOM 0 H LYS A 64 14.167 -21.992 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 64 15.285 -22.500 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.265 -23.490 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.736 -24.399 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.066 -23.251 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.671 -22.170 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.072 -24.289 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.164 -25.159 -3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.912 -24.618 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.548 -23.250 -2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.155 -22.343 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.716 -22.100 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.745 -23.354 -5.142 1.00 0.00 H new ATOM 983 N ILE A 65 14.289 -20.364 -4.738 1.00 0.00 N ATOM 984 CA ILE A 65 13.820 -19.042 -5.132 1.00 0.00 C ATOM 985 C ILE A 65 12.341 -19.071 -5.503 1.00 0.00 C ATOM 986 O ILE A 65 11.945 -19.728 -6.467 1.00 0.00 O ATOM 987 CB ILE A 65 14.626 -18.490 -6.323 1.00 0.00 C ATOM 988 CG1 ILE A 65 16.060 -18.174 -5.894 1.00 0.00 C ATOM 989 CG2 ILE A 65 13.951 -17.250 -6.890 1.00 0.00 C ATOM 990 CD1 ILE A 65 16.168 -16.968 -4.987 1.00 0.00 C ATOM 0 H ILE A 65 14.990 -20.766 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 65 13.964 -18.387 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 65 14.660 -19.250 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.477 -19.042 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.668 -18.005 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.532 -16.872 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.947 -17.505 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.890 -16.484 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.213 -16.804 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.781 -16.089 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.588 -17.141 -4.081 1.00 0.00 H new ATOM 1002 N LEU A 66 11.530 -18.354 -4.734 1.00 0.00 N ATOM 1003 CA LEU A 66 10.094 -18.295 -4.983 1.00 0.00 C ATOM 1004 C LEU A 66 9.806 -17.869 -6.419 1.00 0.00 C ATOM 1005 O LEU A 66 10.535 -17.061 -6.996 1.00 0.00 O ATOM 1006 CB LEU A 66 9.426 -17.324 -4.007 1.00 0.00 C ATOM 1007 CG LEU A 66 9.663 -17.596 -2.521 1.00 0.00 C ATOM 1008 CD1 LEU A 66 8.737 -16.743 -1.668 1.00 0.00 C ATOM 1009 CD2 LEU A 66 9.466 -19.073 -2.212 1.00 0.00 C ATOM 0 H LEU A 66 11.842 -17.805 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 66 9.684 -19.293 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.776 -16.316 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.352 -17.337 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 66 10.692 -17.329 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.920 -16.950 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.926 -15.688 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.700 -16.978 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.639 -19.249 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.447 -19.365 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.171 -19.664 -2.797 1.00 0.00 H new ATOM 1021 N LYS A 67 8.739 -18.416 -6.990 1.00 0.00 N ATOM 1022 CA LYS A 67 8.352 -18.091 -8.358 1.00 0.00 C ATOM 1023 C LYS A 67 7.198 -17.094 -8.374 1.00 0.00 C ATOM 1024 O LYS A 67 6.424 -17.009 -7.420 1.00 0.00 O ATOM 1025 CB LYS A 67 7.953 -19.361 -9.113 1.00 0.00 C ATOM 1026 CG LYS A 67 9.116 -20.302 -9.376 1.00 0.00 C ATOM 1027 CD LYS A 67 10.076 -19.728 -10.404 1.00 0.00 C ATOM 1028 CE LYS A 67 11.503 -20.193 -10.155 1.00 0.00 C ATOM 1029 NZ LYS A 67 12.396 -19.884 -11.306 1.00 0.00 N ATOM 0 H LYS A 67 8.126 -19.087 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 67 9.210 -17.636 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.191 -19.890 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.500 -19.081 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.650 -20.492 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.737 -21.262 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.763 -20.030 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.036 -18.639 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.890 -19.713 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.508 -21.267 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.359 -20.217 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.042 -20.363 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.412 -18.857 -11.467 1.00 0.00 H new ATOM 1043 N ASP A 68 7.086 -16.342 -9.464 1.00 0.00 N ATOM 1044 CA ASP A 68 6.024 -15.353 -9.606 1.00 0.00 C ATOM 1045 C ASP A 68 4.655 -16.024 -9.621 1.00 0.00 C ATOM 1046 O ASP A 68 3.768 -15.700 -8.831 1.00 0.00 O ATOM 1047 CB ASP A 68 6.222 -14.540 -10.886 1.00 0.00 C ATOM 1048 CG ASP A 68 4.910 -14.073 -11.484 1.00 0.00 C ATOM 1049 OD1 ASP A 68 3.961 -13.828 -10.711 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.832 -13.952 -12.725 1.00 0.00 O ATOM 0 H ASP A 68 7.718 -16.399 -10.262 1.00 0.00 H new ATOM 0 HA ASP A 68 6.070 -14.682 -8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.848 -13.674 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.757 -15.145 -11.618 1.00 0.00 H new ATOM 1055 N PRO A 69 4.475 -16.982 -10.542 1.00 0.00 N ATOM 1056 CA PRO A 69 3.216 -17.719 -10.684 1.00 0.00 C ATOM 1057 C PRO A 69 2.961 -18.661 -9.512 1.00 0.00 C ATOM 1058 O PRO A 69 1.984 -19.411 -9.507 1.00 0.00 O ATOM 1059 CB PRO A 69 3.413 -18.515 -11.976 1.00 0.00 C ATOM 1060 CG PRO A 69 4.889 -18.668 -12.105 1.00 0.00 C ATOM 1061 CD PRO A 69 5.489 -17.421 -11.517 1.00 0.00 C ATOM 0 HA PRO A 69 2.354 -17.052 -10.706 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.918 -19.484 -11.923 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.993 -17.989 -12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.237 -19.555 -11.576 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.179 -18.786 -13.149 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.447 -17.623 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.668 -16.663 -12.280 1.00 0.00 H new ATOM 1069 N ASP A 70 3.844 -18.618 -8.521 1.00 0.00 N ATOM 1070 CA ASP A 70 3.714 -19.467 -7.343 1.00 0.00 C ATOM 1071 C ASP A 70 3.211 -18.664 -6.147 1.00 0.00 C ATOM 1072 O ASP A 70 3.962 -17.899 -5.541 1.00 0.00 O ATOM 1073 CB ASP A 70 5.056 -20.120 -7.007 1.00 0.00 C ATOM 1074 CG ASP A 70 5.399 -21.256 -7.950 1.00 0.00 C ATOM 1075 OD1 ASP A 70 5.255 -21.072 -9.177 1.00 0.00 O ATOM 1076 OD2 ASP A 70 5.811 -22.329 -7.462 1.00 0.00 O ATOM 0 H ASP A 70 4.658 -18.004 -8.510 1.00 0.00 H new ATOM 0 HA ASP A 70 2.986 -20.247 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.843 -19.367 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.028 -20.496 -5.984 1.00 0.00 H new ATOM 1081 N SER A 71 1.937 -18.842 -5.814 1.00 0.00 N ATOM 1082 CA SER A 71 1.333 -18.130 -4.694 1.00 0.00 C ATOM 1083 C SER A 71 2.057 -18.452 -3.391 1.00 0.00 C ATOM 1084 O SER A 71 2.712 -19.489 -3.271 1.00 0.00 O ATOM 1085 CB SER A 71 -0.148 -18.493 -4.571 1.00 0.00 C ATOM 1086 OG SER A 71 -0.335 -19.897 -4.623 1.00 0.00 O ATOM 0 H SER A 71 1.303 -19.473 -6.304 1.00 0.00 H new ATOM 0 HA SER A 71 1.423 -17.061 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.544 -18.105 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.710 -18.018 -5.375 1.00 0.00 H new ATOM 0 HG SER A 71 -1.290 -20.103 -4.541 1.00 0.00 H new ATOM 1092 N LEU A 72 1.936 -17.557 -2.417 1.00 0.00 N ATOM 1093 CA LEU A 72 2.579 -17.745 -1.121 1.00 0.00 C ATOM 1094 C LEU A 72 2.276 -19.130 -0.558 1.00 0.00 C ATOM 1095 O LEU A 72 3.121 -19.745 0.092 1.00 0.00 O ATOM 1096 CB LEU A 72 2.114 -16.669 -0.138 1.00 0.00 C ATOM 1097 CG LEU A 72 1.814 -15.295 -0.739 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.640 -14.258 0.360 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.921 -14.879 -1.697 1.00 0.00 C ATOM 0 H LEU A 72 1.399 -16.694 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 72 3.656 -17.659 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.215 -17.028 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.881 -16.549 0.628 1.00 0.00 H new ATOM 0 HG LEU A 72 0.881 -15.360 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.427 -13.287 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.813 -14.549 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.555 -14.194 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.691 -13.899 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.868 -14.831 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.998 -15.609 -2.503 1.00 0.00 H new ATOM 1111 N ALA A 73 1.066 -19.615 -0.815 1.00 0.00 N ATOM 1112 CA ALA A 73 0.653 -20.929 -0.337 1.00 0.00 C ATOM 1113 C ALA A 73 1.265 -22.038 -1.185 1.00 0.00 C ATOM 1114 O ALA A 73 1.470 -23.154 -0.709 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.865 -21.038 -0.338 1.00 0.00 C ATOM 0 H ALA A 73 0.355 -19.118 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 73 1.014 -21.047 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.159 -22.024 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.285 -20.274 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.239 -20.894 -1.352 1.00 0.00 H new ATOM 1121 N GLN A 74 1.554 -21.724 -2.444 1.00 0.00 N ATOM 1122 CA GLN A 74 2.142 -22.696 -3.358 1.00 0.00 C ATOM 1123 C GLN A 74 3.651 -22.792 -3.154 1.00 0.00 C ATOM 1124 O GLN A 74 4.274 -23.789 -3.520 1.00 0.00 O ATOM 1125 CB GLN A 74 1.835 -22.316 -4.807 1.00 0.00 C ATOM 1126 CG GLN A 74 0.555 -22.940 -5.342 1.00 0.00 C ATOM 1127 CD GLN A 74 0.612 -23.199 -6.834 1.00 0.00 C ATOM 1128 OE1 GLN A 74 -0.031 -24.119 -7.341 1.00 0.00 O ATOM 1129 NE2 GLN A 74 1.383 -22.388 -7.548 1.00 0.00 N ATOM 0 H GLN A 74 1.391 -20.804 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 74 1.702 -23.670 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.759 -21.231 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.670 -22.621 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.368 -23.879 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.285 -22.281 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.899 -21.638 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.460 -22.515 -8.557 1.00 0.00 H new ATOM 1138 N CYS A 75 4.231 -21.750 -2.569 1.00 0.00 N ATOM 1139 CA CYS A 75 5.667 -21.717 -2.318 1.00 0.00 C ATOM 1140 C CYS A 75 5.997 -22.331 -0.962 1.00 0.00 C ATOM 1141 O CYS A 75 7.117 -22.782 -0.728 1.00 0.00 O ATOM 1142 CB CYS A 75 6.183 -20.278 -2.379 1.00 0.00 C ATOM 1143 SG CYS A 75 6.524 -19.686 -4.053 1.00 0.00 S ATOM 0 H CYS A 75 3.729 -20.917 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 75 6.160 -22.306 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 75 5.448 -19.620 -1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.095 -20.205 -1.787 1.00 0.00 H new ATOM 0 HG CYS A 75 5.484 -19.054 -4.510 1.00 0.00 H new ATOM 1149 N GLY A 76 5.011 -22.345 -0.069 1.00 0.00 N ATOM 1150 CA GLY A 76 5.217 -22.904 1.254 1.00 0.00 C ATOM 1151 C GLY A 76 5.105 -21.861 2.349 1.00 0.00 C ATOM 1152 O GLY A 76 5.407 -22.135 3.510 1.00 0.00 O ATOM 0 H GLY A 76 4.074 -21.979 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.484 -23.691 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.202 -23.369 1.299 1.00 0.00 H new ATOM 1156 N VAL A 77 4.671 -20.661 1.978 1.00 0.00 N ATOM 1157 CA VAL A 77 4.520 -19.573 2.937 1.00 0.00 C ATOM 1158 C VAL A 77 3.207 -19.692 3.702 1.00 0.00 C ATOM 1159 O VAL A 77 2.180 -20.069 3.138 1.00 0.00 O ATOM 1160 CB VAL A 77 4.573 -18.200 2.240 1.00 0.00 C ATOM 1161 CG1 VAL A 77 4.306 -17.084 3.239 1.00 0.00 C ATOM 1162 CG2 VAL A 77 5.915 -18.002 1.553 1.00 0.00 C ATOM 0 H VAL A 77 4.418 -20.417 1.020 1.00 0.00 H new ATOM 0 HA VAL A 77 5.352 -19.650 3.637 1.00 0.00 H new ATOM 0 HB VAL A 77 3.794 -18.168 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.347 -16.122 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.318 -17.219 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.061 -17.111 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.934 -17.027 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.714 -18.054 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.060 -18.783 0.807 1.00 0.00 H new ATOM 1172 N ARG A 78 3.248 -19.369 4.991 1.00 0.00 N ATOM 1173 CA ARG A 78 2.062 -19.441 5.835 1.00 0.00 C ATOM 1174 C ARG A 78 1.971 -18.223 6.750 1.00 0.00 C ATOM 1175 O ARG A 78 2.837 -17.348 6.724 1.00 0.00 O ATOM 1176 CB ARG A 78 2.082 -20.721 6.672 1.00 0.00 C ATOM 1177 CG ARG A 78 2.587 -21.937 5.913 1.00 0.00 C ATOM 1178 CD ARG A 78 1.524 -22.488 4.974 1.00 0.00 C ATOM 1179 NE ARG A 78 1.648 -23.932 4.795 1.00 0.00 N ATOM 1180 CZ ARG A 78 0.640 -24.716 4.430 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -0.560 -24.199 4.206 1.00 0.00 N ATOM 1182 NH2 ARG A 78 0.832 -26.022 4.287 1.00 0.00 N ATOM 0 H ARG A 78 4.090 -19.055 5.473 1.00 0.00 H new ATOM 0 HA ARG A 78 1.186 -19.453 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.711 -20.563 7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.075 -20.923 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.475 -21.668 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.886 -22.711 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.535 -22.255 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.605 -21.994 4.006 1.00 0.00 H new ATOM 0 HE ARG A 78 2.558 -24.362 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.711 -23.196 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.332 -24.804 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.754 -26.424 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.058 -26.624 4.007 1.00 0.00 H new ATOM 1196 N ASP A 79 0.917 -18.174 7.557 1.00 0.00 N ATOM 1197 CA ASP A 79 0.713 -17.064 8.481 1.00 0.00 C ATOM 1198 C ASP A 79 1.691 -17.143 9.650 1.00 0.00 C ATOM 1199 O ASP A 79 1.441 -17.835 10.635 1.00 0.00 O ATOM 1200 CB ASP A 79 -0.725 -17.064 9.002 1.00 0.00 C ATOM 1201 CG ASP A 79 -0.855 -16.368 10.343 1.00 0.00 C ATOM 1202 OD1 ASP A 79 -0.117 -15.388 10.577 1.00 0.00 O ATOM 1203 OD2 ASP A 79 -1.696 -16.803 11.157 1.00 0.00 O ATOM 0 H ASP A 79 0.191 -18.890 7.590 1.00 0.00 H new ATOM 0 HA ASP A 79 0.895 -16.135 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.371 -16.571 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.075 -18.092 9.094 1.00 0.00 H new ATOM 1208 N GLY A 80 2.806 -16.429 9.531 1.00 0.00 N ATOM 1209 CA GLY A 80 3.805 -16.433 10.584 1.00 0.00 C ATOM 1210 C GLY A 80 5.139 -16.979 10.115 1.00 0.00 C ATOM 1211 O GLY A 80 6.012 -17.288 10.927 1.00 0.00 O ATOM 0 H GLY A 80 3.035 -15.848 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.942 -15.417 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.445 -17.032 11.420 1.00 0.00 H new ATOM 1215 N LEU A 81 5.299 -17.100 8.802 1.00 0.00 N ATOM 1216 CA LEU A 81 6.536 -17.614 8.225 1.00 0.00 C ATOM 1217 C LEU A 81 7.484 -16.475 7.865 1.00 0.00 C ATOM 1218 O LEU A 81 7.093 -15.307 7.856 1.00 0.00 O ATOM 1219 CB LEU A 81 6.233 -18.453 6.983 1.00 0.00 C ATOM 1220 CG LEU A 81 5.505 -19.775 7.227 1.00 0.00 C ATOM 1221 CD1 LEU A 81 5.876 -20.794 6.160 1.00 0.00 C ATOM 1222 CD2 LEU A 81 5.824 -20.312 8.614 1.00 0.00 C ATOM 0 H LEU A 81 4.587 -16.849 8.116 1.00 0.00 H new ATOM 0 HA LEU A 81 7.021 -18.243 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.633 -17.851 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.174 -18.668 6.476 1.00 0.00 H new ATOM 0 HG LEU A 81 4.432 -19.593 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.348 -21.729 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.595 -20.412 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.951 -20.973 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.297 -21.253 8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.898 -20.478 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.506 -19.590 9.366 1.00 0.00 H new ATOM 1234 N THR A 82 8.732 -16.822 7.566 1.00 0.00 N ATOM 1235 CA THR A 82 9.735 -15.829 7.204 1.00 0.00 C ATOM 1236 C THR A 82 10.360 -16.147 5.851 1.00 0.00 C ATOM 1237 O THR A 82 10.379 -17.300 5.420 1.00 0.00 O ATOM 1238 CB THR A 82 10.850 -15.743 8.264 1.00 0.00 C ATOM 1239 OG1 THR A 82 10.279 -15.519 9.558 1.00 0.00 O ATOM 1240 CG2 THR A 82 11.826 -14.624 7.934 1.00 0.00 C ATOM 0 H THR A 82 9.072 -17.784 7.568 1.00 0.00 H new ATOM 0 HA THR A 82 9.222 -14.869 7.148 1.00 0.00 H new ATOM 0 HB THR A 82 11.393 -16.688 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.994 -15.467 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.604 -14.583 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.281 -14.813 6.962 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.294 -13.673 7.907 1.00 0.00 H new ATOM 1248 N VAL A 83 10.872 -15.118 5.184 1.00 0.00 N ATOM 1249 CA VAL A 83 11.500 -15.288 3.879 1.00 0.00 C ATOM 1250 C VAL A 83 12.717 -14.381 3.732 1.00 0.00 C ATOM 1251 O VAL A 83 12.599 -13.156 3.761 1.00 0.00 O ATOM 1252 CB VAL A 83 10.511 -14.991 2.736 1.00 0.00 C ATOM 1253 CG1 VAL A 83 11.088 -15.435 1.401 1.00 0.00 C ATOM 1254 CG2 VAL A 83 9.174 -15.668 3.000 1.00 0.00 C ATOM 0 H VAL A 83 10.864 -14.157 5.526 1.00 0.00 H new ATOM 0 HA VAL A 83 11.816 -16.329 3.814 1.00 0.00 H new ATOM 0 HB VAL A 83 10.346 -13.915 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.375 -15.217 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.018 -14.900 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.285 -16.507 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.487 -15.448 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.320 -16.746 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.756 -15.296 3.935 1.00 0.00 H new ATOM 1264 N HIS A 84 13.887 -14.991 3.572 1.00 0.00 N ATOM 1265 CA HIS A 84 15.127 -14.239 3.419 1.00 0.00 C ATOM 1266 C HIS A 84 15.187 -13.563 2.052 1.00 0.00 C ATOM 1267 O HIS A 84 15.448 -14.212 1.038 1.00 0.00 O ATOM 1268 CB HIS A 84 16.334 -15.160 3.598 1.00 0.00 C ATOM 1269 CG HIS A 84 16.404 -15.799 4.951 1.00 0.00 C ATOM 1270 ND1 HIS A 84 17.284 -15.392 5.931 1.00 0.00 N ATOM 1271 CD2 HIS A 84 15.694 -16.821 5.485 1.00 0.00 C ATOM 1272 CE1 HIS A 84 17.115 -16.137 7.009 1.00 0.00 C ATOM 1273 NE2 HIS A 84 16.156 -17.011 6.765 1.00 0.00 N ATOM 0 H HIS A 84 14.002 -16.004 3.545 1.00 0.00 H new ATOM 0 HA HIS A 84 15.152 -13.468 4.189 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.301 -15.940 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.246 -14.588 3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.911 -17.382 4.996 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.667 -16.046 7.933 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.814 -17.713 7.420 1.00 0.00 H new ATOM 1282 N LEU A 85 14.943 -12.257 2.032 1.00 0.00 N ATOM 1283 CA LEU A 85 14.968 -11.493 0.789 1.00 0.00 C ATOM 1284 C LEU A 85 16.380 -11.004 0.480 1.00 0.00 C ATOM 1285 O LEU A 85 17.170 -10.743 1.386 1.00 0.00 O ATOM 1286 CB LEU A 85 14.012 -10.303 0.880 1.00 0.00 C ATOM 1287 CG LEU A 85 14.205 -9.206 -0.167 1.00 0.00 C ATOM 1288 CD1 LEU A 85 13.345 -9.479 -1.391 1.00 0.00 C ATOM 1289 CD2 LEU A 85 13.879 -7.841 0.423 1.00 0.00 C ATOM 0 H LEU A 85 14.726 -11.705 2.862 1.00 0.00 H new ATOM 0 HA LEU A 85 14.645 -12.149 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.991 -10.676 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.114 -9.856 1.869 1.00 0.00 H new ATOM 0 HG LEU A 85 15.250 -9.205 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.496 -8.688 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.627 -10.437 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.295 -9.508 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 85 14.022 -7.073 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.843 -7.829 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.538 -7.643 1.268 1.00 0.00 H new ATOM 1301 N VAL A 86 16.688 -10.881 -0.807 1.00 0.00 N ATOM 1302 CA VAL A 86 18.003 -10.419 -1.237 1.00 0.00 C ATOM 1303 C VAL A 86 17.889 -9.447 -2.406 1.00 0.00 C ATOM 1304 O VAL A 86 17.533 -9.836 -3.518 1.00 0.00 O ATOM 1305 CB VAL A 86 18.904 -11.598 -1.651 1.00 0.00 C ATOM 1306 CG1 VAL A 86 20.194 -11.091 -2.276 1.00 0.00 C ATOM 1307 CG2 VAL A 86 19.197 -12.490 -0.454 1.00 0.00 C ATOM 0 H VAL A 86 16.046 -11.095 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 86 18.453 -9.908 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 86 18.376 -12.191 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 86 20.817 -11.938 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.961 -10.497 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.730 -10.474 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.835 -13.318 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.705 -11.910 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.262 -12.882 -0.055 1.00 0.00 H new ATOM 1317 N ILE A 87 18.194 -8.180 -2.145 1.00 0.00 N ATOM 1318 CA ILE A 87 18.127 -7.151 -3.176 1.00 0.00 C ATOM 1319 C ILE A 87 19.397 -7.136 -4.020 1.00 0.00 C ATOM 1320 O ILE A 87 20.509 -7.151 -3.490 1.00 0.00 O ATOM 1321 CB ILE A 87 17.914 -5.754 -2.564 1.00 0.00 C ATOM 1322 CG1 ILE A 87 16.822 -5.804 -1.493 1.00 0.00 C ATOM 1323 CG2 ILE A 87 17.553 -4.750 -3.649 1.00 0.00 C ATOM 1324 CD1 ILE A 87 17.337 -6.193 -0.124 1.00 0.00 C ATOM 0 H ILE A 87 18.490 -7.842 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 87 17.275 -7.394 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 87 18.844 -5.434 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 87 16.343 -4.827 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 87 16.055 -6.516 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 87 17.406 -3.767 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 87 18.360 -4.698 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.634 -5.064 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 87 16.509 -6.208 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 87 17.791 -7.183 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 87 18.082 -5.468 0.204 1.00 0.00 H new ATOM 1336 N LYS A 88 19.226 -7.103 -5.337 1.00 0.00 N ATOM 1337 CA LYS A 88 20.357 -7.082 -6.256 1.00 0.00 C ATOM 1338 C LYS A 88 20.749 -5.649 -6.604 1.00 0.00 C ATOM 1339 O LYS A 88 21.871 -5.391 -7.039 1.00 0.00 O ATOM 1340 CB LYS A 88 20.018 -7.854 -7.533 1.00 0.00 C ATOM 1341 CG LYS A 88 19.350 -9.193 -7.275 1.00 0.00 C ATOM 1342 CD LYS A 88 20.124 -10.015 -6.258 1.00 0.00 C ATOM 1343 CE LYS A 88 21.405 -10.579 -6.856 1.00 0.00 C ATOM 1344 NZ LYS A 88 22.521 -9.595 -6.803 1.00 0.00 N ATOM 0 H LYS A 88 18.313 -7.090 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 88 21.202 -7.562 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 19.362 -7.244 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 88 20.933 -8.018 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.334 -9.031 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 88 19.272 -9.748 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 88 20.366 -9.394 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 88 19.499 -10.832 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.691 -11.482 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 88 21.226 -10.869 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 23.430 -10.100 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.460 -8.957 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.453 -9.040 -5.926 1.00 0.00 H new ATOM 1358 N ARG A 89 19.817 -4.722 -6.408 1.00 0.00 N ATOM 1359 CA ARG A 89 20.065 -3.316 -6.701 1.00 0.00 C ATOM 1360 C ARG A 89 20.397 -3.118 -8.178 1.00 0.00 C ATOM 1361 O ARG A 89 21.189 -2.246 -8.534 1.00 0.00 O ATOM 1362 CB ARG A 89 21.210 -2.787 -5.835 1.00 0.00 C ATOM 1363 CG ARG A 89 20.755 -2.246 -4.489 1.00 0.00 C ATOM 1364 CD ARG A 89 20.428 -0.763 -4.567 1.00 0.00 C ATOM 1365 NE ARG A 89 21.617 0.069 -4.403 1.00 0.00 N ATOM 1366 CZ ARG A 89 21.623 1.385 -4.586 1.00 0.00 C ATOM 1367 NH1 ARG A 89 20.510 2.015 -4.936 1.00 0.00 N ATOM 1368 NH2 ARG A 89 22.745 2.074 -4.418 1.00 0.00 N ATOM 0 H ARG A 89 18.883 -4.920 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 89 19.157 -2.758 -6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 89 21.930 -3.588 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 89 21.730 -1.998 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.876 -2.796 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 89 21.537 -2.409 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.962 -0.545 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 89 19.700 -0.511 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 89 22.490 -0.385 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.646 1.489 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.518 3.025 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 89 23.603 1.593 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 89 22.749 3.084 -4.559 1.00 0.00 H new ATOM 1382 N GLN A 90 19.787 -3.935 -9.030 1.00 0.00 N ATOM 1383 CA GLN A 90 20.019 -3.850 -10.467 1.00 0.00 C ATOM 1384 C GLN A 90 19.219 -2.707 -11.082 1.00 0.00 C ATOM 1385 O GLN A 90 18.558 -2.878 -12.107 1.00 0.00 O ATOM 1386 CB GLN A 90 19.647 -5.171 -11.144 1.00 0.00 C ATOM 1387 CG GLN A 90 20.744 -6.220 -11.076 1.00 0.00 C ATOM 1388 CD GLN A 90 20.528 -7.355 -12.058 1.00 0.00 C ATOM 1389 OE1 GLN A 90 19.420 -7.559 -12.554 1.00 0.00 O ATOM 1390 NE2 GLN A 90 21.589 -8.101 -12.343 1.00 0.00 N ATOM 0 H GLN A 90 19.129 -4.663 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 90 21.079 -3.653 -10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 90 18.746 -5.568 -10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 90 19.405 -4.978 -12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 90 21.706 -5.748 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 90 20.793 -6.624 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 90 22.489 -7.896 -11.908 1.00 0.00 H new ATOM 0 HE22 GLN A 90 21.504 -8.879 -12.997 1.00 0.00 H new ATOM 1399 N HIS A 91 19.282 -1.540 -10.449 1.00 0.00 N ATOM 1400 CA HIS A 91 18.563 -0.367 -10.934 1.00 0.00 C ATOM 1401 C HIS A 91 19.536 0.707 -11.413 1.00 0.00 C ATOM 1402 O HIS A 91 20.682 0.763 -10.968 1.00 0.00 O ATOM 1403 CB HIS A 91 17.664 0.197 -9.833 1.00 0.00 C ATOM 1404 CG HIS A 91 16.436 0.878 -10.354 1.00 0.00 C ATOM 1405 ND1 HIS A 91 15.849 1.955 -9.724 1.00 0.00 N ATOM 1406 CD2 HIS A 91 15.684 0.631 -11.452 1.00 0.00 C ATOM 1407 CE1 HIS A 91 14.788 2.340 -10.412 1.00 0.00 C ATOM 1408 NE2 HIS A 91 14.667 1.552 -11.465 1.00 0.00 N ATOM 0 H HIS A 91 19.823 -1.381 -9.599 1.00 0.00 H new ATOM 0 HA HIS A 91 17.944 -0.673 -11.777 1.00 0.00 H new ATOM 0 HB2 HIS A 91 17.366 -0.613 -9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.237 0.906 -9.235 1.00 0.00 H new ATOM 0 HD1 HIS A 91 16.182 2.387 -8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.853 -0.147 -12.182 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.132 3.159 -10.157 1.00 0.00 H new ATOM 1417 N ARG A 92 19.070 1.556 -12.323 1.00 0.00 N ATOM 1418 CA ARG A 92 19.899 2.627 -12.863 1.00 0.00 C ATOM 1419 C ARG A 92 19.905 3.834 -11.930 1.00 0.00 C ATOM 1420 O ARG A 92 20.962 4.282 -11.485 1.00 0.00 O ATOM 1421 CB ARG A 92 19.396 3.041 -14.247 1.00 0.00 C ATOM 1422 CG ARG A 92 20.149 4.220 -14.842 1.00 0.00 C ATOM 1423 CD ARG A 92 20.092 4.209 -16.361 1.00 0.00 C ATOM 1424 NE ARG A 92 21.129 3.361 -16.942 1.00 0.00 N ATOM 1425 CZ ARG A 92 21.192 3.057 -18.234 1.00 0.00 C ATOM 1426 NH1 ARG A 92 20.282 3.530 -19.075 1.00 0.00 N ATOM 1427 NH2 ARG A 92 22.167 2.280 -18.687 1.00 0.00 N ATOM 0 H ARG A 92 18.123 1.523 -12.702 1.00 0.00 H new ATOM 0 HA ARG A 92 20.919 2.253 -12.951 1.00 0.00 H new ATOM 0 HB2 ARG A 92 19.478 2.190 -14.923 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.338 3.294 -14.179 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.723 5.151 -14.468 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.189 4.191 -14.516 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.113 3.857 -16.684 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.204 5.227 -16.735 1.00 0.00 H new ATOM 0 HE ARG A 92 21.844 2.981 -16.322 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.531 4.129 -18.730 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.333 3.295 -20.066 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.869 1.915 -18.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.214 2.047 -19.679 1.00 0.00 H new ATOM 1441 N ALA A 93 18.719 4.356 -11.639 1.00 0.00 N ATOM 1442 CA ALA A 93 18.587 5.510 -10.758 1.00 0.00 C ATOM 1443 C ALA A 93 18.231 5.080 -9.339 1.00 0.00 C ATOM 1444 O ALA A 93 17.965 3.905 -9.085 1.00 0.00 O ATOM 1445 CB ALA A 93 17.539 6.471 -11.299 1.00 0.00 C ATOM 0 H ALA A 93 17.835 3.998 -12.000 1.00 0.00 H new ATOM 0 HA ALA A 93 19.549 6.021 -10.724 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.451 7.328 -10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.836 6.813 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.577 5.962 -11.364 1.00 0.00 H new ATOM 1451 N MET A 94 18.227 6.038 -8.418 1.00 0.00 N ATOM 1452 CA MET A 94 17.902 5.757 -7.025 1.00 0.00 C ATOM 1453 C MET A 94 16.587 4.992 -6.916 1.00 0.00 C ATOM 1454 O MET A 94 16.546 3.880 -6.393 1.00 0.00 O ATOM 1455 CB MET A 94 17.815 7.059 -6.226 1.00 0.00 C ATOM 1456 CG MET A 94 17.280 6.873 -4.816 1.00 0.00 C ATOM 1457 SD MET A 94 18.585 6.545 -3.615 1.00 0.00 S ATOM 1458 CE MET A 94 19.015 4.858 -4.035 1.00 0.00 C ATOM 0 H MET A 94 18.445 7.015 -8.611 1.00 0.00 H new ATOM 0 HA MET A 94 18.698 5.137 -6.611 1.00 0.00 H new ATOM 0 HB2 MET A 94 18.806 7.510 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 94 17.174 7.761 -6.759 1.00 0.00 H new ATOM 0 HG2 MET A 94 16.734 7.768 -4.518 1.00 0.00 H new ATOM 0 HG3 MET A 94 16.568 6.048 -4.808 1.00 0.00 H new ATOM 0 HE1 MET A 94 19.299 4.319 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 94 18.157 4.368 -4.496 1.00 0.00 H new ATOM 0 HE3 MET A 94 19.851 4.859 -4.734 1.00 0.00 H new ATOM 1468 N GLY A 95 15.513 5.597 -7.415 1.00 0.00 N ATOM 1469 CA GLY A 95 14.211 4.958 -7.363 1.00 0.00 C ATOM 1470 C GLY A 95 13.074 5.960 -7.327 1.00 0.00 C ATOM 1471 O GLY A 95 13.271 7.119 -6.963 1.00 0.00 O ATOM 0 H GLY A 95 15.522 6.518 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.093 4.310 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.158 4.321 -6.480 1.00 0.00 H new ATOM 1475 N ASN A 96 11.881 5.514 -7.706 1.00 0.00 N ATOM 1476 CA ASN A 96 10.708 6.381 -7.717 1.00 0.00 C ATOM 1477 C ASN A 96 9.437 5.580 -7.450 1.00 0.00 C ATOM 1478 O ASN A 96 9.377 4.383 -7.728 1.00 0.00 O ATOM 1479 CB ASN A 96 10.596 7.104 -9.061 1.00 0.00 C ATOM 1480 CG ASN A 96 9.534 8.186 -9.048 1.00 0.00 C ATOM 1481 OD1 ASN A 96 9.582 9.109 -8.234 1.00 0.00 O ATOM 1482 ND2 ASN A 96 8.567 8.077 -9.952 1.00 0.00 N ATOM 0 H ASN A 96 11.701 4.557 -8.010 1.00 0.00 H new ATOM 0 HA ASN A 96 10.824 7.119 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 96 11.559 7.547 -9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 96 10.364 6.380 -9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.824 8.775 -9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.567 7.295 -10.607 1.00 0.00 H new ATOM 1489 N GLU A 97 8.425 6.251 -6.909 1.00 0.00 N ATOM 1490 CA GLU A 97 7.155 5.602 -6.604 1.00 0.00 C ATOM 1491 C GLU A 97 6.509 5.048 -7.871 1.00 0.00 C ATOM 1492 O GLU A 97 6.804 5.499 -8.979 1.00 0.00 O ATOM 1493 CB GLU A 97 6.204 6.587 -5.923 1.00 0.00 C ATOM 1494 CG GLU A 97 4.964 5.931 -5.339 1.00 0.00 C ATOM 1495 CD GLU A 97 5.287 4.695 -4.522 1.00 0.00 C ATOM 1496 OE1 GLU A 97 5.911 4.840 -3.450 1.00 0.00 O ATOM 1497 OE2 GLU A 97 4.918 3.584 -4.955 1.00 0.00 O ATOM 0 H GLU A 97 8.460 7.243 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 97 7.354 4.772 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.740 7.105 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.898 7.343 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.439 6.650 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.286 5.660 -6.148 1.00 0.00 H new ATOM 1504 N CYS A 98 5.629 4.068 -7.699 1.00 0.00 N ATOM 1505 CA CYS A 98 4.942 3.451 -8.828 1.00 0.00 C ATOM 1506 C CYS A 98 3.429 3.579 -8.680 1.00 0.00 C ATOM 1507 O CYS A 98 2.896 3.685 -7.575 1.00 0.00 O ATOM 1508 CB CYS A 98 5.332 1.977 -8.945 1.00 0.00 C ATOM 1509 SG CYS A 98 6.810 1.682 -9.945 1.00 0.00 S ATOM 0 H CYS A 98 5.374 3.684 -6.789 1.00 0.00 H new ATOM 0 HA CYS A 98 5.245 3.973 -9.736 1.00 0.00 H new ATOM 0 HB2 CYS A 98 5.497 1.575 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 98 4.498 1.425 -9.377 1.00 0.00 H new ATOM 0 HG CYS A 98 7.061 0.407 -9.983 1.00 0.00 H new ATOM 1515 N PRO A 99 2.720 3.570 -9.818 1.00 0.00 N ATOM 1516 CA PRO A 99 1.259 3.685 -9.841 1.00 0.00 C ATOM 1517 C PRO A 99 0.571 2.442 -9.288 1.00 0.00 C ATOM 1518 O PRO A 99 -0.657 2.351 -9.282 1.00 0.00 O ATOM 1519 CB PRO A 99 0.940 3.855 -11.329 1.00 0.00 C ATOM 1520 CG PRO A 99 2.083 3.214 -12.037 1.00 0.00 C ATOM 1521 CD PRO A 99 3.290 3.446 -11.170 1.00 0.00 C ATOM 0 HA PRO A 99 0.905 4.507 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.005 3.377 -11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.849 4.908 -11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.905 2.148 -12.181 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.223 3.650 -13.026 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.996 2.618 -11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.828 4.347 -11.463 1.00 0.00 H new ATOM 1529 N ALA A 100 1.369 1.486 -8.824 1.00 0.00 N ATOM 1530 CA ALA A 100 0.836 0.250 -8.266 1.00 0.00 C ATOM 1531 C ALA A 100 -0.481 0.498 -7.538 1.00 0.00 C ATOM 1532 O ALA A 100 -1.431 -0.274 -7.673 1.00 0.00 O ATOM 1533 CB ALA A 100 1.849 -0.384 -7.324 1.00 0.00 C ATOM 0 H ALA A 100 2.387 1.544 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 100 0.642 -0.436 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.437 -1.307 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.765 -0.607 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.071 0.307 -6.510 1.00 0.00 H new ATOM 1539 N SER A 101 -0.531 1.580 -6.768 1.00 0.00 N ATOM 1540 CA SER A 101 -1.731 1.928 -6.015 1.00 0.00 C ATOM 1541 C SER A 101 -1.856 3.440 -5.860 1.00 0.00 C ATOM 1542 O SER A 101 -0.859 4.162 -5.880 1.00 0.00 O ATOM 1543 CB SER A 101 -1.705 1.263 -4.637 1.00 0.00 C ATOM 1544 OG SER A 101 -3.003 1.213 -4.071 1.00 0.00 O ATOM 0 H SER A 101 0.245 2.231 -6.649 1.00 0.00 H new ATOM 0 HA SER A 101 -2.596 1.565 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.304 0.253 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.037 1.815 -3.976 1.00 0.00 H new ATOM 0 HG SER A 101 -2.960 0.782 -3.192 1.00 0.00 H new ATOM 1550 N GLY A 102 -3.089 3.913 -5.706 1.00 0.00 N ATOM 1551 CA GLY A 102 -3.323 5.337 -5.551 1.00 0.00 C ATOM 1552 C GLY A 102 -4.209 5.902 -6.643 1.00 0.00 C ATOM 1553 O GLY A 102 -5.430 5.739 -6.628 1.00 0.00 O ATOM 0 H GLY A 102 -3.930 3.336 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.784 5.523 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.367 5.861 -5.555 1.00 0.00 H new ATOM 1557 N PRO A 103 -3.591 6.585 -7.618 1.00 0.00 N ATOM 1558 CA PRO A 103 -4.313 7.191 -8.741 1.00 0.00 C ATOM 1559 C PRO A 103 -4.879 6.146 -9.697 1.00 0.00 C ATOM 1560 O PRO A 103 -5.543 6.484 -10.677 1.00 0.00 O ATOM 1561 CB PRO A 103 -3.242 8.031 -9.440 1.00 0.00 C ATOM 1562 CG PRO A 103 -1.953 7.373 -9.085 1.00 0.00 C ATOM 1563 CD PRO A 103 -2.140 6.818 -7.700 1.00 0.00 C ATOM 0 HA PRO A 103 -5.175 7.768 -8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.394 8.048 -10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.265 9.066 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.711 6.581 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.130 8.087 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.576 5.896 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.802 7.519 -6.937 1.00 0.00 H new ATOM 1571 N SER A 104 -4.613 4.877 -9.405 1.00 0.00 N ATOM 1572 CA SER A 104 -5.093 3.784 -10.242 1.00 0.00 C ATOM 1573 C SER A 104 -6.592 3.572 -10.051 1.00 0.00 C ATOM 1574 O SER A 104 -7.018 2.853 -9.147 1.00 0.00 O ATOM 1575 CB SER A 104 -4.339 2.494 -9.914 1.00 0.00 C ATOM 1576 OG SER A 104 -4.360 1.598 -11.012 1.00 0.00 O ATOM 0 H SER A 104 -4.068 4.581 -8.595 1.00 0.00 H new ATOM 0 HA SER A 104 -4.910 4.049 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 104 -3.307 2.729 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.789 2.017 -9.043 1.00 0.00 H new ATOM 0 HG SER A 104 -3.870 0.782 -10.778 1.00 0.00 H new ATOM 1582 N SER A 105 -7.386 4.203 -10.909 1.00 0.00 N ATOM 1583 CA SER A 105 -8.838 4.088 -10.834 1.00 0.00 C ATOM 1584 C SER A 105 -9.308 2.759 -11.417 1.00 0.00 C ATOM 1585 O SER A 105 -8.846 2.334 -12.475 1.00 0.00 O ATOM 1586 CB SER A 105 -9.502 5.248 -11.578 1.00 0.00 C ATOM 1587 OG SER A 105 -9.102 5.278 -12.937 1.00 0.00 O ATOM 0 H SER A 105 -7.049 4.799 -11.665 1.00 0.00 H new ATOM 0 HA SER A 105 -9.127 4.127 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.586 5.150 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.239 6.190 -11.097 1.00 0.00 H new ATOM 0 HG SER A 105 -9.541 6.027 -13.391 1.00 0.00 H new ATOM 1593 N GLY A 106 -10.233 2.107 -10.718 1.00 0.00 N ATOM 1594 CA GLY A 106 -10.751 0.833 -11.181 1.00 0.00 C ATOM 1595 C GLY A 106 -9.819 -0.321 -10.867 1.00 0.00 C ATOM 1596 O GLY A 106 -10.252 -1.469 -10.776 1.00 0.00 O ATOM 0 H GLY A 106 -10.632 2.439 -9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.721 0.649 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -10.915 0.881 -12.258 1.00 0.00 H new TER 1600 GLY A 106