USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 99 SER OG : rot -71:sc= 1.04 USER MOD Set 1.2: A 102 SER OG : rot 109:sc= 1.66 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= -0.0166 USER MOD Set 2.2: A 95 GLN : amide:sc= -0.206 K(o=-0.22,f=-0.98) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= -0.0389 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.207) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.33) USER MOD Single : A 22 ASN : amide:sc= -0.0852 K(o=-0.085,f=-4!) USER MOD Single : A 24 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-2.4!) USER MOD Single : A 26 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.117 (180deg=-0.722) USER MOD Single : A 44 HIS : no HE2:sc= -1.03 X(o=-1,f=-0.54) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.913 USER MOD Single : A 48 SER OG : rot 101:sc= 0.0409 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -123:sc= -0.196 (180deg=-1.33) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -46:sc= 0.648 USER MOD Single : A 58 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.3) USER MOD Single : A 61 SER OG : rot -169:sc= -2.15 USER MOD Single : A 62 MET CE :methyl -153:sc= -2.27! (180deg=-3.89) USER MOD Single : A 64 GLN : amide:sc= -3.47! K(o=-3.5!,f=-0.64) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00586 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00919 USER MOD Single : A 82 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 85 MET CE :methyl 159:sc= -4.44! (180deg=-5.36!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.595 K(o=-0.59,f=-1.2) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.017 -15.275 4.228 1.00 0.00 N ATOM 2 CA GLY A 1 -16.608 -13.950 4.227 1.00 0.00 C ATOM 3 C GLY A 1 -15.615 -12.872 3.843 1.00 0.00 C ATOM 4 O GLY A 1 -15.184 -12.086 4.688 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.737 -15.976 4.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.657 -15.495 3.277 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.233 -15.305 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.447 -13.931 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.009 -13.734 5.217 1.00 0.00 H new ATOM 8 N SER A 2 -15.247 -12.835 2.566 1.00 0.00 N ATOM 9 CA SER A 2 -14.293 -11.848 2.074 1.00 0.00 C ATOM 10 C SER A 2 -14.986 -10.520 1.783 1.00 0.00 C ATOM 11 O SER A 2 -15.410 -10.263 0.656 1.00 0.00 O ATOM 12 CB SER A 2 -13.601 -12.363 0.811 1.00 0.00 C ATOM 13 OG SER A 2 -12.422 -11.626 0.538 1.00 0.00 O ATOM 0 H SER A 2 -15.595 -13.477 1.854 1.00 0.00 H new ATOM 0 HA SER A 2 -13.544 -11.684 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.354 -13.418 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.283 -12.291 -0.036 1.00 0.00 H new ATOM 0 HG SER A 2 -11.998 -11.976 -0.273 1.00 0.00 H new ATOM 19 N SER A 3 -15.097 -9.681 2.807 1.00 0.00 N ATOM 20 CA SER A 3 -15.742 -8.381 2.664 1.00 0.00 C ATOM 21 C SER A 3 -14.941 -7.477 1.731 1.00 0.00 C ATOM 22 O SER A 3 -13.711 -7.494 1.738 1.00 0.00 O ATOM 23 CB SER A 3 -15.899 -7.712 4.031 1.00 0.00 C ATOM 24 OG SER A 3 -17.002 -6.823 4.040 1.00 0.00 O ATOM 0 H SER A 3 -14.749 -9.878 3.745 1.00 0.00 H new ATOM 0 HA SER A 3 -16.729 -8.539 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.036 -8.474 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.988 -7.168 4.280 1.00 0.00 H new ATOM 0 HG SER A 3 -17.082 -6.410 4.925 1.00 0.00 H new ATOM 30 N GLY A 4 -15.649 -6.687 0.929 1.00 0.00 N ATOM 31 CA GLY A 4 -14.988 -5.788 0.002 1.00 0.00 C ATOM 32 C GLY A 4 -15.749 -4.490 -0.188 1.00 0.00 C ATOM 33 O GLY A 4 -16.977 -4.466 -0.111 1.00 0.00 O ATOM 0 H GLY A 4 -16.668 -6.654 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.985 -5.568 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.875 -6.284 -0.962 1.00 0.00 H new ATOM 37 N SER A 5 -15.018 -3.408 -0.436 1.00 0.00 N ATOM 38 CA SER A 5 -15.631 -2.100 -0.632 1.00 0.00 C ATOM 39 C SER A 5 -14.756 -1.217 -1.517 1.00 0.00 C ATOM 40 O SER A 5 -13.631 -1.582 -1.858 1.00 0.00 O ATOM 41 CB SER A 5 -15.865 -1.416 0.716 1.00 0.00 C ATOM 42 OG SER A 5 -16.732 -2.184 1.534 1.00 0.00 O ATOM 0 H SER A 5 -14.000 -3.412 -0.506 1.00 0.00 H new ATOM 0 HA SER A 5 -16.590 -2.247 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.912 -1.273 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.293 -0.426 0.556 1.00 0.00 H new ATOM 0 HG SER A 5 -16.864 -1.726 2.390 1.00 0.00 H new ATOM 48 N SER A 6 -15.283 -0.054 -1.887 1.00 0.00 N ATOM 49 CA SER A 6 -14.553 0.880 -2.736 1.00 0.00 C ATOM 50 C SER A 6 -14.917 2.322 -2.396 1.00 0.00 C ATOM 51 O SER A 6 -16.088 2.651 -2.208 1.00 0.00 O ATOM 52 CB SER A 6 -14.850 0.601 -4.210 1.00 0.00 C ATOM 53 OG SER A 6 -13.755 0.970 -5.030 1.00 0.00 O ATOM 0 H SER A 6 -16.212 0.264 -1.612 1.00 0.00 H new ATOM 0 HA SER A 6 -13.487 0.740 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.069 -0.458 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.739 1.152 -4.516 1.00 0.00 H new ATOM 0 HG SER A 6 -13.970 0.780 -5.967 1.00 0.00 H new ATOM 59 N GLY A 7 -13.904 3.179 -2.318 1.00 0.00 N ATOM 60 CA GLY A 7 -14.137 4.576 -2.000 1.00 0.00 C ATOM 61 C GLY A 7 -13.206 5.505 -2.754 1.00 0.00 C ATOM 62 O GLY A 7 -12.176 5.924 -2.227 1.00 0.00 O ATOM 0 H GLY A 7 -12.926 2.931 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.170 4.832 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.008 4.728 -0.928 1.00 0.00 H new ATOM 66 N MET A 8 -13.569 5.827 -3.991 1.00 0.00 N ATOM 67 CA MET A 8 -12.758 6.712 -4.819 1.00 0.00 C ATOM 68 C MET A 8 -13.224 8.159 -4.687 1.00 0.00 C ATOM 69 O MET A 8 -14.169 8.580 -5.354 1.00 0.00 O ATOM 70 CB MET A 8 -12.822 6.276 -6.284 1.00 0.00 C ATOM 71 CG MET A 8 -11.623 6.724 -7.104 1.00 0.00 C ATOM 72 SD MET A 8 -10.203 5.629 -6.915 1.00 0.00 S ATOM 73 CE MET A 8 -9.175 6.168 -8.279 1.00 0.00 C ATOM 0 H MET A 8 -14.419 5.489 -4.442 1.00 0.00 H new ATOM 0 HA MET A 8 -11.726 6.648 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.897 5.189 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.730 6.677 -6.734 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.904 6.770 -8.156 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.341 7.734 -6.806 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.256 5.582 -8.295 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.712 6.027 -9.217 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.931 7.223 -8.156 1.00 0.00 H new ATOM 83 N ALA A 9 -12.556 8.914 -3.822 1.00 0.00 N ATOM 84 CA ALA A 9 -12.901 10.313 -3.604 1.00 0.00 C ATOM 85 C ALA A 9 -11.698 11.104 -3.102 1.00 0.00 C ATOM 86 O ALA A 9 -11.108 10.769 -2.074 1.00 0.00 O ATOM 87 CB ALA A 9 -14.056 10.425 -2.619 1.00 0.00 C ATOM 0 H ALA A 9 -11.773 8.580 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.209 10.738 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.303 11.476 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.926 9.902 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.768 9.978 -1.668 1.00 0.00 H new ATOM 93 N ASP A 10 -11.338 12.153 -3.833 1.00 0.00 N ATOM 94 CA ASP A 10 -10.205 12.992 -3.461 1.00 0.00 C ATOM 95 C ASP A 10 -10.660 14.179 -2.619 1.00 0.00 C ATOM 96 O ASP A 10 -11.143 15.179 -3.149 1.00 0.00 O ATOM 97 CB ASP A 10 -9.478 13.487 -4.713 1.00 0.00 C ATOM 98 CG ASP A 10 -8.809 12.362 -5.478 1.00 0.00 C ATOM 99 OD1 ASP A 10 -8.373 11.385 -4.834 1.00 0.00 O ATOM 100 OD2 ASP A 10 -8.722 12.459 -6.720 1.00 0.00 O ATOM 0 H ASP A 10 -11.815 12.443 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.519 12.390 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.189 13.994 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.728 14.224 -4.426 1.00 0.00 H new ATOM 105 N GLU A 11 -10.504 14.060 -1.304 1.00 0.00 N ATOM 106 CA GLU A 11 -10.901 15.124 -0.389 1.00 0.00 C ATOM 107 C GLU A 11 -9.680 15.763 0.265 1.00 0.00 C ATOM 108 O GLU A 11 -9.638 15.950 1.481 1.00 0.00 O ATOM 109 CB GLU A 11 -11.841 14.576 0.687 1.00 0.00 C ATOM 110 CG GLU A 11 -12.524 15.658 1.507 1.00 0.00 C ATOM 111 CD GLU A 11 -13.072 15.136 2.821 1.00 0.00 C ATOM 112 OE1 GLU A 11 -13.682 14.046 2.819 1.00 0.00 O ATOM 113 OE2 GLU A 11 -12.890 15.818 3.851 1.00 0.00 O ATOM 0 H GLU A 11 -10.106 13.238 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.424 15.887 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.602 13.957 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.275 13.928 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.813 16.460 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.337 16.091 0.925 1.00 0.00 H new ATOM 120 N LYS A 12 -8.686 16.097 -0.551 1.00 0.00 N ATOM 121 CA LYS A 12 -7.463 16.717 -0.055 1.00 0.00 C ATOM 122 C LYS A 12 -6.848 15.885 1.067 1.00 0.00 C ATOM 123 O LYS A 12 -6.568 16.381 2.158 1.00 0.00 O ATOM 124 CB LYS A 12 -7.751 18.134 0.446 1.00 0.00 C ATOM 125 CG LYS A 12 -8.356 19.041 -0.611 1.00 0.00 C ATOM 126 CD LYS A 12 -7.291 19.610 -1.533 1.00 0.00 C ATOM 127 CE LYS A 12 -6.483 20.700 -0.845 1.00 0.00 C ATOM 128 NZ LYS A 12 -5.411 21.238 -1.729 1.00 0.00 N ATOM 0 H LYS A 12 -8.704 15.948 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.751 16.768 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.430 18.079 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.823 18.579 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.085 18.482 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.894 19.857 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.624 18.811 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.762 20.015 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.148 21.510 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.036 20.301 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.883 21.978 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.762 20.470 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.839 21.642 -2.587 1.00 0.00 H new ATOM 142 N PRO A 13 -6.631 14.590 0.793 1.00 0.00 N ATOM 143 CA PRO A 13 -6.045 13.663 1.766 1.00 0.00 C ATOM 144 C PRO A 13 -4.572 13.955 2.031 1.00 0.00 C ATOM 145 O PRO A 13 -3.922 13.262 2.814 1.00 0.00 O ATOM 146 CB PRO A 13 -6.208 12.296 1.097 1.00 0.00 C ATOM 147 CG PRO A 13 -6.265 12.593 -0.362 1.00 0.00 C ATOM 148 CD PRO A 13 -6.941 13.931 -0.486 1.00 0.00 C ATOM 0 HA PRO A 13 -6.528 13.736 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.373 11.637 1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.115 11.795 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.265 12.620 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.822 11.823 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.557 14.498 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.016 13.826 -0.634 1.00 0.00 H new ATOM 156 N LYS A 14 -4.051 14.984 1.372 1.00 0.00 N ATOM 157 CA LYS A 14 -2.654 15.370 1.537 1.00 0.00 C ATOM 158 C LYS A 14 -2.504 16.412 2.640 1.00 0.00 C ATOM 159 O LYS A 14 -1.815 17.417 2.467 1.00 0.00 O ATOM 160 CB LYS A 14 -2.097 15.920 0.222 1.00 0.00 C ATOM 161 CG LYS A 14 -2.714 17.244 -0.193 1.00 0.00 C ATOM 162 CD LYS A 14 -3.857 17.044 -1.174 1.00 0.00 C ATOM 163 CE LYS A 14 -3.372 17.099 -2.614 1.00 0.00 C ATOM 164 NZ LYS A 14 -4.223 16.276 -3.518 1.00 0.00 N ATOM 0 H LYS A 14 -4.575 15.566 0.718 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.089 14.482 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.019 16.046 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.263 15.188 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.079 17.769 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.950 17.876 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.335 16.082 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.614 17.812 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.372 18.133 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.342 16.746 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.860 16.340 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.203 15.284 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.201 16.629 -3.490 1.00 0.00 H new ATOM 178 N GLU A 15 -3.151 16.164 3.775 1.00 0.00 N ATOM 179 CA GLU A 15 -3.088 17.082 4.906 1.00 0.00 C ATOM 180 C GLU A 15 -2.379 16.435 6.092 1.00 0.00 C ATOM 181 O GLU A 15 -2.636 15.280 6.428 1.00 0.00 O ATOM 182 CB GLU A 15 -4.496 17.520 5.316 1.00 0.00 C ATOM 183 CG GLU A 15 -4.978 18.770 4.599 1.00 0.00 C ATOM 184 CD GLU A 15 -6.330 19.242 5.095 1.00 0.00 C ATOM 185 OE1 GLU A 15 -7.204 18.385 5.341 1.00 0.00 O ATOM 186 OE2 GLU A 15 -6.515 20.469 5.238 1.00 0.00 O ATOM 0 H GLU A 15 -3.724 15.336 3.935 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.518 17.959 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.193 16.706 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.513 17.699 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.247 19.567 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.037 18.571 3.529 1.00 0.00 H new ATOM 193 N GLY A 16 -1.484 17.190 6.723 1.00 0.00 N ATOM 194 CA GLY A 16 -0.751 16.674 7.864 1.00 0.00 C ATOM 195 C GLY A 16 0.383 17.587 8.286 1.00 0.00 C ATOM 196 O GLY A 16 1.505 17.463 7.794 1.00 0.00 O ATOM 0 H GLY A 16 -1.254 18.149 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.436 16.540 8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.350 15.691 7.619 1.00 0.00 H new ATOM 200 N VAL A 17 0.091 18.509 9.198 1.00 0.00 N ATOM 201 CA VAL A 17 1.095 19.448 9.685 1.00 0.00 C ATOM 202 C VAL A 17 1.229 19.371 11.201 1.00 0.00 C ATOM 203 O VAL A 17 0.252 19.535 11.932 1.00 0.00 O ATOM 204 CB VAL A 17 0.752 20.895 9.283 1.00 0.00 C ATOM 205 CG1 VAL A 17 1.791 21.862 9.831 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.644 21.017 7.771 1.00 0.00 C ATOM 0 H VAL A 17 -0.833 18.626 9.615 1.00 0.00 H new ATOM 0 HA VAL A 17 2.042 19.166 9.225 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.215 21.154 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.532 22.879 9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.814 21.793 10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.772 21.607 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.401 22.046 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.594 20.739 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.141 20.354 7.408 1.00 0.00 H new ATOM 216 N LYS A 18 2.447 19.121 11.670 1.00 0.00 N ATOM 217 CA LYS A 18 2.712 19.023 13.100 1.00 0.00 C ATOM 218 C LYS A 18 3.971 19.799 13.474 1.00 0.00 C ATOM 219 O LYS A 18 4.676 20.315 12.607 1.00 0.00 O ATOM 220 CB LYS A 18 2.862 17.557 13.513 1.00 0.00 C ATOM 221 CG LYS A 18 3.964 16.825 12.767 1.00 0.00 C ATOM 222 CD LYS A 18 3.671 15.338 12.659 1.00 0.00 C ATOM 223 CE LYS A 18 2.958 15.003 11.358 1.00 0.00 C ATOM 224 NZ LYS A 18 1.477 15.027 11.515 1.00 0.00 N ATOM 0 H LYS A 18 3.267 18.982 11.079 1.00 0.00 H new ATOM 0 HA LYS A 18 1.866 19.459 13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.065 17.509 14.583 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.916 17.042 13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.073 17.249 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.914 16.973 13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.604 14.777 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.056 15.025 13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.253 15.716 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.271 14.017 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.032 14.601 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.209 14.486 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.154 16.011 11.616 1.00 0.00 H new ATOM 238 N THR A 19 4.249 19.877 14.772 1.00 0.00 N ATOM 239 CA THR A 19 5.423 20.590 15.261 1.00 0.00 C ATOM 240 C THR A 19 6.187 19.755 16.282 1.00 0.00 C ATOM 241 O THR A 19 7.414 19.683 16.244 1.00 0.00 O ATOM 242 CB THR A 19 5.036 21.936 15.901 1.00 0.00 C ATOM 243 OG1 THR A 19 4.371 22.763 14.940 1.00 0.00 O ATOM 244 CG2 THR A 19 6.267 22.656 16.432 1.00 0.00 C ATOM 0 H THR A 19 3.677 19.455 15.504 1.00 0.00 H new ATOM 0 HA THR A 19 6.062 20.777 14.398 1.00 0.00 H new ATOM 0 HB THR A 19 4.363 21.736 16.735 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.127 23.616 15.356 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.969 23.604 16.880 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.754 22.037 17.185 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.961 22.844 15.612 1.00 0.00 H new ATOM 252 N GLU A 20 5.452 19.126 17.194 1.00 0.00 N ATOM 253 CA GLU A 20 6.063 18.296 18.226 1.00 0.00 C ATOM 254 C GLU A 20 6.757 17.085 17.610 1.00 0.00 C ATOM 255 O GLU A 20 6.543 16.761 16.443 1.00 0.00 O ATOM 256 CB GLU A 20 5.006 17.834 19.232 1.00 0.00 C ATOM 257 CG GLU A 20 4.622 18.901 20.244 1.00 0.00 C ATOM 258 CD GLU A 20 3.934 20.091 19.604 1.00 0.00 C ATOM 259 OE1 GLU A 20 3.003 19.876 18.800 1.00 0.00 O ATOM 260 OE2 GLU A 20 4.327 21.237 19.906 1.00 0.00 O ATOM 0 H GLU A 20 4.434 19.175 17.239 1.00 0.00 H new ATOM 0 HA GLU A 20 6.810 18.897 18.744 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.113 17.521 18.690 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.380 16.959 19.763 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.962 18.465 20.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.517 19.241 20.766 1.00 0.00 H new ATOM 267 N ASN A 21 7.592 16.421 18.404 1.00 0.00 N ATOM 268 CA ASN A 21 8.319 15.247 17.937 1.00 0.00 C ATOM 269 C ASN A 21 7.477 14.442 16.951 1.00 0.00 C ATOM 270 O ASN A 21 6.265 14.314 17.115 1.00 0.00 O ATOM 271 CB ASN A 21 8.721 14.366 19.121 1.00 0.00 C ATOM 272 CG ASN A 21 9.270 15.172 20.282 1.00 0.00 C ATOM 273 OD1 ASN A 21 10.454 15.509 20.313 1.00 0.00 O ATOM 274 ND2 ASN A 21 8.410 15.486 21.244 1.00 0.00 N ATOM 0 H ASN A 21 7.781 16.676 19.373 1.00 0.00 H new ATOM 0 HA ASN A 21 9.219 15.588 17.425 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.855 13.795 19.456 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.471 13.645 18.796 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.722 16.028 22.050 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.438 15.186 21.177 1.00 0.00 H new ATOM 281 N ASN A 22 8.130 13.900 15.928 1.00 0.00 N ATOM 282 CA ASN A 22 7.442 13.107 14.916 1.00 0.00 C ATOM 283 C ASN A 22 8.170 11.789 14.671 1.00 0.00 C ATOM 284 O ASN A 22 9.190 11.750 13.981 1.00 0.00 O ATOM 285 CB ASN A 22 7.334 13.894 13.609 1.00 0.00 C ATOM 286 CG ASN A 22 8.601 14.662 13.289 1.00 0.00 C ATOM 287 OD1 ASN A 22 9.666 14.383 13.841 1.00 0.00 O ATOM 288 ND2 ASN A 22 8.492 15.638 12.395 1.00 0.00 N ATOM 0 H ASN A 22 9.134 13.996 15.778 1.00 0.00 H new ATOM 0 HA ASN A 22 6.440 12.885 15.282 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.113 13.207 12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.498 14.590 13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.311 16.191 12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.590 15.835 11.962 1.00 0.00 H new ATOM 295 N ASP A 23 7.640 10.712 15.239 1.00 0.00 N ATOM 296 CA ASP A 23 8.238 9.391 15.081 1.00 0.00 C ATOM 297 C ASP A 23 7.385 8.514 14.168 1.00 0.00 C ATOM 298 O ASP A 23 6.270 8.131 14.522 1.00 0.00 O ATOM 299 CB ASP A 23 8.406 8.717 16.443 1.00 0.00 C ATOM 300 CG ASP A 23 7.205 8.925 17.344 1.00 0.00 C ATOM 301 OD1 ASP A 23 7.016 10.061 17.830 1.00 0.00 O ATOM 302 OD2 ASP A 23 6.453 7.953 17.564 1.00 0.00 O ATOM 0 H ASP A 23 6.797 10.727 15.813 1.00 0.00 H new ATOM 0 HA ASP A 23 9.219 9.516 14.623 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.568 7.649 16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.297 9.111 16.933 1.00 0.00 H new ATOM 307 N HIS A 24 7.917 8.202 12.991 1.00 0.00 N ATOM 308 CA HIS A 24 7.205 7.371 12.026 1.00 0.00 C ATOM 309 C HIS A 24 8.048 6.165 11.621 1.00 0.00 C ATOM 310 O HIS A 24 9.197 6.030 12.042 1.00 0.00 O ATOM 311 CB HIS A 24 6.837 8.190 10.789 1.00 0.00 C ATOM 312 CG HIS A 24 6.076 9.441 11.103 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.707 9.541 10.972 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.500 10.647 11.547 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.322 10.756 11.320 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.391 11.447 11.673 1.00 0.00 N ATOM 0 H HIS A 24 8.838 8.512 12.682 1.00 0.00 H new ATOM 0 HA HIS A 24 6.291 7.011 12.498 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.749 8.454 10.254 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.241 7.571 10.118 1.00 0.00 H new ATOM 0 HD1 HIS A 24 4.088 8.794 10.656 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.520 10.928 11.762 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.306 11.122 11.316 1.00 0.00 H new ATOM 325 N ILE A 25 7.468 5.292 10.803 1.00 0.00 N ATOM 326 CA ILE A 25 8.167 4.099 10.342 1.00 0.00 C ATOM 327 C ILE A 25 8.030 3.932 8.832 1.00 0.00 C ATOM 328 O ILE A 25 6.996 4.259 8.252 1.00 0.00 O ATOM 329 CB ILE A 25 7.635 2.832 11.037 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.165 2.605 10.679 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.808 2.943 12.545 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.628 1.272 11.149 1.00 0.00 C ATOM 0 H ILE A 25 6.517 5.389 10.447 1.00 0.00 H new ATOM 0 HA ILE A 25 9.219 4.230 10.598 1.00 0.00 H new ATOM 0 HB ILE A 25 8.210 1.975 10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.565 3.404 11.116 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.048 2.674 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.427 2.040 13.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.865 3.061 12.782 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.255 3.808 12.912 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.581 1.180 10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.203 0.467 10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.713 1.208 12.234 1.00 0.00 H new ATOM 344 N ASN A 26 9.082 3.418 8.202 1.00 0.00 N ATOM 345 CA ASN A 26 9.079 3.206 6.759 1.00 0.00 C ATOM 346 C ASN A 26 9.068 1.717 6.429 1.00 0.00 C ATOM 347 O ASN A 26 9.822 0.935 7.011 1.00 0.00 O ATOM 348 CB ASN A 26 10.301 3.872 6.123 1.00 0.00 C ATOM 349 CG ASN A 26 10.495 5.299 6.598 1.00 0.00 C ATOM 350 OD1 ASN A 26 10.068 6.248 5.941 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.143 5.456 7.747 1.00 0.00 N ATOM 0 H ASN A 26 9.946 3.141 8.668 1.00 0.00 H new ATOM 0 HA ASN A 26 8.174 3.657 6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.192 3.290 6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.192 3.865 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.304 6.392 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.480 4.640 8.258 1.00 0.00 H new ATOM 358 N LEU A 27 8.210 1.331 5.491 1.00 0.00 N ATOM 359 CA LEU A 27 8.101 -0.065 5.081 1.00 0.00 C ATOM 360 C LEU A 27 8.412 -0.223 3.596 1.00 0.00 C ATOM 361 O LEU A 27 7.853 0.482 2.755 1.00 0.00 O ATOM 362 CB LEU A 27 6.698 -0.596 5.380 1.00 0.00 C ATOM 363 CG LEU A 27 6.051 -0.094 6.670 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.651 -0.668 6.825 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.911 -0.451 7.873 1.00 0.00 C ATOM 0 H LEU A 27 7.580 1.965 5.000 1.00 0.00 H new ATOM 0 HA LEU A 27 8.830 -0.643 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.047 -0.335 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.744 -1.684 5.420 1.00 0.00 H new ATOM 0 HG LEU A 27 5.972 0.992 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.207 -0.299 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.036 -0.361 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.705 -1.756 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.434 -0.085 8.782 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.023 -1.534 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.893 0.010 7.768 1.00 0.00 H new ATOM 377 N LYS A 28 9.305 -1.154 3.280 1.00 0.00 N ATOM 378 CA LYS A 28 9.688 -1.408 1.896 1.00 0.00 C ATOM 379 C LYS A 28 8.802 -2.482 1.274 1.00 0.00 C ATOM 380 O LYS A 28 8.892 -3.658 1.629 1.00 0.00 O ATOM 381 CB LYS A 28 11.156 -1.838 1.822 1.00 0.00 C ATOM 382 CG LYS A 28 12.120 -0.808 2.385 1.00 0.00 C ATOM 383 CD LYS A 28 13.534 -1.356 2.470 1.00 0.00 C ATOM 384 CE LYS A 28 14.307 -0.728 3.620 1.00 0.00 C ATOM 385 NZ LYS A 28 15.768 -0.668 3.338 1.00 0.00 N ATOM 0 H LYS A 28 9.777 -1.746 3.964 1.00 0.00 H new ATOM 0 HA LYS A 28 9.557 -0.483 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.280 -2.775 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.416 -2.037 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.111 0.082 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.788 -0.501 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.499 -2.437 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.056 -1.166 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.931 0.278 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.136 -1.303 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.260 -0.234 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.132 -1.630 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.934 -0.098 2.484 1.00 0.00 H new ATOM 399 N VAL A 29 7.946 -2.071 0.344 1.00 0.00 N ATOM 400 CA VAL A 29 7.044 -2.999 -0.329 1.00 0.00 C ATOM 401 C VAL A 29 7.687 -3.575 -1.586 1.00 0.00 C ATOM 402 O VAL A 29 8.184 -2.837 -2.436 1.00 0.00 O ATOM 403 CB VAL A 29 5.718 -2.315 -0.712 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.854 -3.252 -1.541 1.00 0.00 C ATOM 405 CG2 VAL A 29 4.977 -1.856 0.535 1.00 0.00 C ATOM 0 H VAL A 29 7.858 -1.102 0.039 1.00 0.00 H new ATOM 0 HA VAL A 29 6.838 -3.806 0.374 1.00 0.00 H new ATOM 0 HB VAL A 29 5.943 -1.437 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.922 -2.752 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.386 -3.527 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.634 -4.150 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.042 -1.375 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.762 -2.717 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.595 -1.147 1.085 1.00 0.00 H new ATOM 415 N ALA A 30 7.673 -4.900 -1.696 1.00 0.00 N ATOM 416 CA ALA A 30 8.253 -5.576 -2.850 1.00 0.00 C ATOM 417 C ALA A 30 7.170 -6.010 -3.832 1.00 0.00 C ATOM 418 O ALA A 30 6.072 -6.393 -3.432 1.00 0.00 O ATOM 419 CB ALA A 30 9.073 -6.776 -2.401 1.00 0.00 C ATOM 0 H ALA A 30 7.267 -5.526 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 30 8.910 -4.872 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.500 -7.271 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.876 -6.443 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.431 -7.475 -1.865 1.00 0.00 H new ATOM 425 N GLY A 31 7.488 -5.947 -5.122 1.00 0.00 N ATOM 426 CA GLY A 31 6.531 -6.336 -6.141 1.00 0.00 C ATOM 427 C GLY A 31 7.191 -7.007 -7.330 1.00 0.00 C ATOM 428 O GLY A 31 8.328 -7.468 -7.237 1.00 0.00 O ATOM 0 H GLY A 31 8.391 -5.634 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.797 -7.014 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.988 -5.454 -6.481 1.00 0.00 H new ATOM 432 N GLN A 32 6.475 -7.064 -8.448 1.00 0.00 N ATOM 433 CA GLN A 32 6.997 -7.686 -9.658 1.00 0.00 C ATOM 434 C GLN A 32 7.914 -6.728 -10.411 1.00 0.00 C ATOM 435 O GLN A 32 7.847 -5.513 -10.224 1.00 0.00 O ATOM 436 CB GLN A 32 5.849 -8.131 -10.566 1.00 0.00 C ATOM 437 CG GLN A 32 5.313 -9.514 -10.236 1.00 0.00 C ATOM 438 CD GLN A 32 6.063 -10.618 -10.955 1.00 0.00 C ATOM 439 OE1 GLN A 32 5.731 -10.974 -12.086 1.00 0.00 O ATOM 440 NE2 GLN A 32 7.080 -11.166 -10.301 1.00 0.00 N ATOM 0 H GLN A 32 5.532 -6.687 -8.541 1.00 0.00 H new ATOM 0 HA GLN A 32 7.578 -8.560 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.037 -7.408 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.191 -8.120 -11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.378 -9.677 -9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.257 -9.564 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.320 -10.839 -9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.622 -11.914 -10.735 1.00 0.00 H new ATOM 449 N ASP A 33 8.771 -7.282 -11.262 1.00 0.00 N ATOM 450 CA ASP A 33 9.702 -6.476 -12.044 1.00 0.00 C ATOM 451 C ASP A 33 10.718 -5.788 -11.138 1.00 0.00 C ATOM 452 O ASP A 33 11.110 -4.648 -11.383 1.00 0.00 O ATOM 453 CB ASP A 33 8.941 -5.433 -12.864 1.00 0.00 C ATOM 454 CG ASP A 33 9.836 -4.708 -13.850 1.00 0.00 C ATOM 455 OD1 ASP A 33 10.735 -5.357 -14.425 1.00 0.00 O ATOM 456 OD2 ASP A 33 9.637 -3.491 -14.047 1.00 0.00 O ATOM 0 H ASP A 33 8.840 -8.286 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 33 10.239 -7.139 -12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.130 -5.921 -13.404 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.484 -4.708 -12.191 1.00 0.00 H new ATOM 461 N GLY A 34 11.139 -6.488 -10.089 1.00 0.00 N ATOM 462 CA GLY A 34 12.104 -5.928 -9.162 1.00 0.00 C ATOM 463 C GLY A 34 11.773 -4.501 -8.771 1.00 0.00 C ATOM 464 O GLY A 34 12.613 -3.609 -8.883 1.00 0.00 O ATOM 0 H GLY A 34 10.829 -7.433 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.144 -6.547 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.096 -5.957 -9.613 1.00 0.00 H new ATOM 468 N SER A 35 10.544 -4.286 -8.313 1.00 0.00 N ATOM 469 CA SER A 35 10.101 -2.956 -7.910 1.00 0.00 C ATOM 470 C SER A 35 10.018 -2.849 -6.390 1.00 0.00 C ATOM 471 O SER A 35 9.539 -3.762 -5.717 1.00 0.00 O ATOM 472 CB SER A 35 8.738 -2.639 -8.530 1.00 0.00 C ATOM 473 OG SER A 35 8.557 -1.241 -8.676 1.00 0.00 O ATOM 0 H SER A 35 9.838 -5.015 -8.212 1.00 0.00 H new ATOM 0 HA SER A 35 10.832 -2.232 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.656 -3.123 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.946 -3.048 -7.903 1.00 0.00 H new ATOM 0 HG SER A 35 7.680 -1.065 -9.076 1.00 0.00 H new ATOM 479 N VAL A 36 10.489 -1.727 -5.856 1.00 0.00 N ATOM 480 CA VAL A 36 10.467 -1.498 -4.416 1.00 0.00 C ATOM 481 C VAL A 36 9.812 -0.163 -4.081 1.00 0.00 C ATOM 482 O VAL A 36 10.369 0.900 -4.355 1.00 0.00 O ATOM 483 CB VAL A 36 11.889 -1.523 -3.823 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.855 -1.187 -2.340 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.540 -2.878 -4.056 1.00 0.00 C ATOM 0 H VAL A 36 10.890 -0.962 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 36 9.883 -2.306 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 36 12.488 -0.766 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.868 -1.210 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.432 -0.192 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.240 -1.918 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.544 -2.877 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.944 -3.655 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.600 -3.074 -5.127 1.00 0.00 H new ATOM 495 N VAL A 37 8.625 -0.226 -3.486 1.00 0.00 N ATOM 496 CA VAL A 37 7.893 0.979 -3.112 1.00 0.00 C ATOM 497 C VAL A 37 7.845 1.144 -1.597 1.00 0.00 C ATOM 498 O VAL A 37 7.357 0.268 -0.883 1.00 0.00 O ATOM 499 CB VAL A 37 6.454 0.954 -3.661 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.823 2.335 -3.566 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.440 0.450 -5.096 1.00 0.00 C ATOM 0 H VAL A 37 8.150 -1.098 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 37 8.426 1.823 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 37 5.863 0.268 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.807 2.298 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.798 2.653 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.411 3.045 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.415 0.439 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.045 1.109 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.850 -0.559 -5.131 1.00 0.00 H new ATOM 511 N GLN A 38 8.354 2.272 -1.114 1.00 0.00 N ATOM 512 CA GLN A 38 8.368 2.552 0.317 1.00 0.00 C ATOM 513 C GLN A 38 7.174 3.412 0.716 1.00 0.00 C ATOM 514 O GLN A 38 6.509 4.003 -0.135 1.00 0.00 O ATOM 515 CB GLN A 38 9.670 3.254 0.708 1.00 0.00 C ATOM 516 CG GLN A 38 10.819 2.296 0.983 1.00 0.00 C ATOM 517 CD GLN A 38 12.141 3.011 1.177 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.226 3.995 1.912 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.183 2.519 0.516 1.00 0.00 N ATOM 0 H GLN A 38 8.762 3.007 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 38 8.301 1.602 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.960 3.936 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.493 3.861 1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.593 1.710 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.908 1.594 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.067 1.701 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.099 2.959 0.607 1.00 0.00 H new ATOM 528 N PHE A 39 6.906 3.478 2.016 1.00 0.00 N ATOM 529 CA PHE A 39 5.791 4.265 2.528 1.00 0.00 C ATOM 530 C PHE A 39 6.068 4.740 3.951 1.00 0.00 C ATOM 531 O PHE A 39 6.536 3.974 4.794 1.00 0.00 O ATOM 532 CB PHE A 39 4.501 3.442 2.496 1.00 0.00 C ATOM 533 CG PHE A 39 4.108 2.997 1.116 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.675 1.866 0.551 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.172 3.710 0.384 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.316 1.455 -0.719 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.808 3.303 -0.886 1.00 0.00 C ATOM 538 CZ PHE A 39 3.381 2.174 -1.438 1.00 0.00 C ATOM 0 H PHE A 39 7.446 2.996 2.734 1.00 0.00 H new ATOM 0 HA PHE A 39 5.673 5.140 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.623 2.565 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.691 4.034 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.406 1.299 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.722 4.594 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.766 0.572 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.077 3.867 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.099 1.854 -2.430 1.00 0.00 H new ATOM 548 N LYS A 40 5.778 6.011 4.211 1.00 0.00 N ATOM 549 CA LYS A 40 5.995 6.591 5.532 1.00 0.00 C ATOM 550 C LYS A 40 4.666 6.878 6.225 1.00 0.00 C ATOM 551 O LYS A 40 3.942 7.797 5.842 1.00 0.00 O ATOM 552 CB LYS A 40 6.811 7.880 5.417 1.00 0.00 C ATOM 553 CG LYS A 40 6.961 8.623 6.733 1.00 0.00 C ATOM 554 CD LYS A 40 7.145 10.116 6.512 1.00 0.00 C ATOM 555 CE LYS A 40 7.793 10.782 7.717 1.00 0.00 C ATOM 556 NZ LYS A 40 7.665 12.264 7.666 1.00 0.00 N ATOM 0 H LYS A 40 5.392 6.659 3.524 1.00 0.00 H new ATOM 0 HA LYS A 40 6.549 5.869 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.801 7.640 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.335 8.538 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.080 8.452 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.816 8.227 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.762 10.281 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.177 10.578 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.331 10.409 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.848 10.510 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.119 12.681 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.128 12.623 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.658 12.525 7.651 1.00 0.00 H new ATOM 570 N ILE A 41 4.354 6.087 7.246 1.00 0.00 N ATOM 571 CA ILE A 41 3.114 6.259 7.993 1.00 0.00 C ATOM 572 C ILE A 41 3.369 6.225 9.496 1.00 0.00 C ATOM 573 O ILE A 41 4.491 5.980 9.942 1.00 0.00 O ATOM 574 CB ILE A 41 2.085 5.170 7.634 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.432 3.858 8.339 1.00 0.00 C ATOM 576 CG2 ILE A 41 2.031 4.970 6.127 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.430 2.753 8.086 1.00 0.00 C ATOM 0 H ILE A 41 4.942 5.321 7.575 1.00 0.00 H new ATOM 0 HA ILE A 41 2.711 7.234 7.717 1.00 0.00 H new ATOM 0 HB ILE A 41 1.101 5.494 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.417 3.527 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.499 4.038 9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.300 4.198 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.742 5.904 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.013 4.664 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.740 1.853 8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.448 3.064 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.380 2.545 7.017 1.00 0.00 H new ATOM 589 N LYS A 42 2.321 6.472 10.274 1.00 0.00 N ATOM 590 CA LYS A 42 2.429 6.468 11.728 1.00 0.00 C ATOM 591 C LYS A 42 2.074 5.097 12.296 1.00 0.00 C ATOM 592 O LYS A 42 1.434 4.285 11.628 1.00 0.00 O ATOM 593 CB LYS A 42 1.511 7.534 12.331 1.00 0.00 C ATOM 594 CG LYS A 42 1.557 8.862 11.596 1.00 0.00 C ATOM 595 CD LYS A 42 0.322 9.700 11.881 1.00 0.00 C ATOM 596 CE LYS A 42 0.133 10.789 10.836 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.066 10.221 9.474 1.00 0.00 N ATOM 0 H LYS A 42 1.386 6.678 9.922 1.00 0.00 H new ATOM 0 HA LYS A 42 3.462 6.695 11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.486 7.162 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.790 7.695 13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.449 9.413 11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.637 8.683 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.558 9.057 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.409 10.153 12.869 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.727 11.403 11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.004 11.444 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.578 10.907 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.859 10.017 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.618 9.342 9.542 1.00 0.00 H new ATOM 611 N ARG A 43 2.494 4.847 13.532 1.00 0.00 N ATOM 612 CA ARG A 43 2.221 3.574 14.189 1.00 0.00 C ATOM 613 C ARG A 43 0.722 3.388 14.410 1.00 0.00 C ATOM 614 O ARG A 43 0.180 2.306 14.182 1.00 0.00 O ATOM 615 CB ARG A 43 2.958 3.498 15.527 1.00 0.00 C ATOM 616 CG ARG A 43 2.560 4.591 16.505 1.00 0.00 C ATOM 617 CD ARG A 43 3.665 4.866 17.513 1.00 0.00 C ATOM 618 NE ARG A 43 3.538 4.032 18.705 1.00 0.00 N ATOM 619 CZ ARG A 43 4.053 4.356 19.886 1.00 0.00 C ATOM 620 NH1 ARG A 43 4.724 5.489 20.032 1.00 0.00 N ATOM 621 NH2 ARG A 43 3.895 3.545 20.924 1.00 0.00 N ATOM 0 H ARG A 43 3.024 5.509 14.098 1.00 0.00 H new ATOM 0 HA ARG A 43 2.578 2.774 13.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.766 2.527 15.983 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.031 3.558 15.345 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.330 5.505 15.957 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.651 4.297 17.031 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.634 4.687 17.047 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.639 5.917 17.801 1.00 0.00 H new ATOM 0 HE ARG A 43 3.026 3.153 18.627 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.846 6.115 19.236 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.118 5.735 20.940 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.378 2.672 20.815 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.291 3.794 21.831 1.00 0.00 H new ATOM 635 N HIS A 44 0.059 4.450 14.856 1.00 0.00 N ATOM 636 CA HIS A 44 -1.377 4.403 15.109 1.00 0.00 C ATOM 637 C HIS A 44 -2.163 4.723 13.840 1.00 0.00 C ATOM 638 O HIS A 44 -3.204 5.379 13.890 1.00 0.00 O ATOM 639 CB HIS A 44 -1.754 5.387 16.217 1.00 0.00 C ATOM 640 CG HIS A 44 -1.749 6.818 15.775 1.00 0.00 C ATOM 641 ND1 HIS A 44 -2.593 7.772 16.303 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.995 7.456 14.849 1.00 0.00 C ATOM 643 CE1 HIS A 44 -2.359 8.934 15.721 1.00 0.00 C ATOM 644 NE2 HIS A 44 -1.393 8.770 14.835 1.00 0.00 N ATOM 0 H HIS A 44 0.492 5.353 15.050 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.631 3.392 15.429 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.745 5.135 16.593 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.058 5.270 17.048 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.289 7.606 17.030 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.224 7.014 14.236 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.871 9.861 15.933 1.00 0.00 H new ATOM 653 N THR A 45 -1.656 4.255 12.703 1.00 0.00 N ATOM 654 CA THR A 45 -2.309 4.493 11.422 1.00 0.00 C ATOM 655 C THR A 45 -2.590 3.182 10.696 1.00 0.00 C ATOM 656 O THR A 45 -1.722 2.318 10.566 1.00 0.00 O ATOM 657 CB THR A 45 -1.452 5.395 10.514 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.332 6.700 11.092 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.065 5.505 9.126 1.00 0.00 C ATOM 0 H THR A 45 -0.796 3.710 12.644 1.00 0.00 H new ATOM 0 HA THR A 45 -3.252 4.996 11.637 1.00 0.00 H new ATOM 0 HB THR A 45 -0.463 4.946 10.423 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.784 7.267 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.442 6.147 8.503 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.128 4.514 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.064 5.933 9.203 1.00 0.00 H new ATOM 667 N PRO A 46 -3.831 3.027 10.212 1.00 0.00 N ATOM 668 CA PRO A 46 -4.254 1.823 9.490 1.00 0.00 C ATOM 669 C PRO A 46 -3.599 1.710 8.118 1.00 0.00 C ATOM 670 O PRO A 46 -3.683 2.627 7.300 1.00 0.00 O ATOM 671 CB PRO A 46 -5.767 2.009 9.346 1.00 0.00 C ATOM 672 CG PRO A 46 -5.974 3.484 9.404 1.00 0.00 C ATOM 673 CD PRO A 46 -4.916 4.015 10.331 1.00 0.00 C ATOM 0 HA PRO A 46 -3.971 0.912 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.129 1.595 8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.306 1.502 10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.884 3.930 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.971 3.724 9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.586 5.011 10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.280 4.090 11.356 1.00 0.00 H new ATOM 681 N LEU A 47 -2.947 0.579 7.870 1.00 0.00 N ATOM 682 CA LEU A 47 -2.277 0.345 6.596 1.00 0.00 C ATOM 683 C LEU A 47 -3.165 0.764 5.429 1.00 0.00 C ATOM 684 O LEU A 47 -2.678 1.044 4.334 1.00 0.00 O ATOM 685 CB LEU A 47 -1.898 -1.131 6.460 1.00 0.00 C ATOM 686 CG LEU A 47 -0.992 -1.695 7.554 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.737 -3.176 7.325 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.320 -0.927 7.609 1.00 0.00 C ATOM 0 H LEU A 47 -2.868 -0.190 8.535 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.370 0.950 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.815 -1.720 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.404 -1.271 5.499 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.497 -1.579 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.090 -3.560 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.684 -3.715 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.253 -3.317 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.952 -1.343 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.831 -1.010 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.119 0.123 7.823 1.00 0.00 H new ATOM 700 N SER A 48 -4.472 0.805 5.672 1.00 0.00 N ATOM 701 CA SER A 48 -5.429 1.189 4.640 1.00 0.00 C ATOM 702 C SER A 48 -4.837 2.248 3.716 1.00 0.00 C ATOM 703 O SER A 48 -4.751 2.053 2.503 1.00 0.00 O ATOM 704 CB SER A 48 -6.715 1.715 5.279 1.00 0.00 C ATOM 705 OG SER A 48 -7.777 1.742 4.341 1.00 0.00 O ATOM 0 H SER A 48 -4.892 0.577 6.573 1.00 0.00 H new ATOM 0 HA SER A 48 -5.661 0.304 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.989 1.084 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.546 2.718 5.671 1.00 0.00 H new ATOM 0 HG SER A 48 -8.360 0.968 4.485 1.00 0.00 H new ATOM 711 N LYS A 49 -4.428 3.370 4.297 1.00 0.00 N ATOM 712 CA LYS A 49 -3.842 4.462 3.528 1.00 0.00 C ATOM 713 C LYS A 49 -2.610 3.988 2.764 1.00 0.00 C ATOM 714 O LYS A 49 -2.418 4.337 1.598 1.00 0.00 O ATOM 715 CB LYS A 49 -3.466 5.621 4.454 1.00 0.00 C ATOM 716 CG LYS A 49 -4.665 6.321 5.069 1.00 0.00 C ATOM 717 CD LYS A 49 -4.272 7.126 6.297 1.00 0.00 C ATOM 718 CE LYS A 49 -3.880 8.549 5.928 1.00 0.00 C ATOM 719 NZ LYS A 49 -3.624 9.383 7.135 1.00 0.00 N ATOM 0 H LYS A 49 -4.491 3.548 5.299 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.585 4.806 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.827 5.244 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.880 6.348 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.120 6.981 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.418 5.582 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.104 7.147 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.439 6.637 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.987 8.530 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.674 9.002 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.360 10.345 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.484 9.422 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.849 8.964 7.688 1.00 0.00 H new ATOM 733 N LEU A 50 -1.779 3.190 3.425 1.00 0.00 N ATOM 734 CA LEU A 50 -0.566 2.667 2.807 1.00 0.00 C ATOM 735 C LEU A 50 -0.899 1.830 1.576 1.00 0.00 C ATOM 736 O LEU A 50 -0.491 2.156 0.462 1.00 0.00 O ATOM 737 CB LEU A 50 0.221 1.825 3.813 1.00 0.00 C ATOM 738 CG LEU A 50 1.119 0.738 3.222 1.00 0.00 C ATOM 739 CD1 LEU A 50 2.028 1.320 2.150 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.940 0.071 4.315 1.00 0.00 C ATOM 0 H LEU A 50 -1.923 2.891 4.389 1.00 0.00 H new ATOM 0 HA LEU A 50 0.046 3.513 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.840 2.494 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.487 1.353 4.494 1.00 0.00 H new ATOM 0 HG LEU A 50 0.484 -0.018 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.660 0.531 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.422 1.749 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.655 2.097 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.573 -0.700 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.565 0.816 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.271 -0.382 5.047 1.00 0.00 H new ATOM 752 N MET A 51 -1.645 0.750 1.786 1.00 0.00 N ATOM 753 CA MET A 51 -2.037 -0.132 0.693 1.00 0.00 C ATOM 754 C MET A 51 -2.600 0.669 -0.477 1.00 0.00 C ATOM 755 O MET A 51 -2.083 0.604 -1.593 1.00 0.00 O ATOM 756 CB MET A 51 -3.073 -1.149 1.176 1.00 0.00 C ATOM 757 CG MET A 51 -2.621 -1.949 2.387 1.00 0.00 C ATOM 758 SD MET A 51 -3.997 -2.461 3.434 1.00 0.00 S ATOM 759 CE MET A 51 -3.467 -4.104 3.911 1.00 0.00 C ATOM 0 H MET A 51 -1.990 0.465 2.703 1.00 0.00 H new ATOM 0 HA MET A 51 -1.149 -0.664 0.352 1.00 0.00 H new ATOM 0 HB2 MET A 51 -3.997 -0.625 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.302 -1.836 0.362 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.076 -2.832 2.052 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.926 -1.350 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.227 -4.830 3.622 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.528 -4.343 3.411 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.322 -4.141 4.991 1.00 0.00 H new ATOM 769 N LYS A 52 -3.662 1.423 -0.215 1.00 0.00 N ATOM 770 CA LYS A 52 -4.295 2.238 -1.246 1.00 0.00 C ATOM 771 C LYS A 52 -3.250 2.999 -2.056 1.00 0.00 C ATOM 772 O LYS A 52 -3.352 3.100 -3.278 1.00 0.00 O ATOM 773 CB LYS A 52 -5.281 3.222 -0.612 1.00 0.00 C ATOM 774 CG LYS A 52 -6.656 2.628 -0.361 1.00 0.00 C ATOM 775 CD LYS A 52 -7.567 2.803 -1.564 1.00 0.00 C ATOM 776 CE LYS A 52 -8.332 4.117 -1.497 1.00 0.00 C ATOM 777 NZ LYS A 52 -8.828 4.538 -2.837 1.00 0.00 N ATOM 0 H LYS A 52 -4.103 1.487 0.703 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.836 1.573 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.870 3.577 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.383 4.091 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.558 1.568 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.106 3.105 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.974 2.772 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.271 1.973 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.175 4.012 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.685 4.894 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.344 5.437 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.022 4.663 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.465 3.809 -3.216 1.00 0.00 H new ATOM 791 N ALA A 53 -2.246 3.531 -1.367 1.00 0.00 N ATOM 792 CA ALA A 53 -1.181 4.279 -2.023 1.00 0.00 C ATOM 793 C ALA A 53 -0.389 3.388 -2.974 1.00 0.00 C ATOM 794 O ALA A 53 0.134 3.854 -3.987 1.00 0.00 O ATOM 795 CB ALA A 53 -0.256 4.900 -0.987 1.00 0.00 C ATOM 0 H ALA A 53 -2.148 3.458 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.639 5.075 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.535 5.456 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.825 5.577 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.187 4.113 -0.376 1.00 0.00 H new ATOM 801 N TYR A 54 -0.305 2.104 -2.643 1.00 0.00 N ATOM 802 CA TYR A 54 0.426 1.148 -3.466 1.00 0.00 C ATOM 803 C TYR A 54 -0.388 0.754 -4.695 1.00 0.00 C ATOM 804 O TYR A 54 0.154 0.612 -5.792 1.00 0.00 O ATOM 805 CB TYR A 54 0.774 -0.098 -2.650 1.00 0.00 C ATOM 806 CG TYR A 54 1.710 -1.047 -3.364 1.00 0.00 C ATOM 807 CD1 TYR A 54 1.217 -2.042 -4.200 1.00 0.00 C ATOM 808 CD2 TYR A 54 3.086 -0.950 -3.202 1.00 0.00 C ATOM 809 CE1 TYR A 54 2.069 -2.911 -4.854 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.945 -1.814 -3.853 1.00 0.00 C ATOM 811 CZ TYR A 54 3.431 -2.793 -4.677 1.00 0.00 C ATOM 812 OH TYR A 54 4.283 -3.657 -5.326 1.00 0.00 O ATOM 0 H TYR A 54 -0.734 1.701 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 54 1.348 1.624 -3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.230 0.210 -1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.146 -0.627 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.150 -2.137 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.492 -0.186 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.670 -3.679 -5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.013 -1.723 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 54 5.210 -3.438 -5.095 1.00 0.00 H new ATOM 822 N CYS A 55 -1.691 0.581 -4.503 1.00 0.00 N ATOM 823 CA CYS A 55 -2.581 0.204 -5.596 1.00 0.00 C ATOM 824 C CYS A 55 -2.825 1.384 -6.530 1.00 0.00 C ATOM 825 O CYS A 55 -3.020 1.205 -7.732 1.00 0.00 O ATOM 826 CB CYS A 55 -3.911 -0.309 -5.043 1.00 0.00 C ATOM 827 SG CYS A 55 -5.132 0.989 -4.734 1.00 0.00 S ATOM 0 H CYS A 55 -2.155 0.696 -3.602 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.101 -0.592 -6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.331 -1.028 -5.746 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.723 -0.845 -4.113 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.564 1.981 -4.115 1.00 0.00 H new ATOM 833 N GLU A 56 -2.814 2.589 -5.969 1.00 0.00 N ATOM 834 CA GLU A 56 -3.038 3.798 -6.753 1.00 0.00 C ATOM 835 C GLU A 56 -1.797 4.156 -7.565 1.00 0.00 C ATOM 836 O GLU A 56 -1.890 4.491 -8.746 1.00 0.00 O ATOM 837 CB GLU A 56 -3.416 4.964 -5.837 1.00 0.00 C ATOM 838 CG GLU A 56 -2.220 5.761 -5.342 1.00 0.00 C ATOM 839 CD GLU A 56 -2.626 6.991 -4.554 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.037 7.989 -5.183 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.532 6.956 -3.309 1.00 0.00 O ATOM 0 H GLU A 56 -2.653 2.754 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.860 3.607 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.091 5.632 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.965 4.577 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.596 5.123 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.612 6.064 -6.194 1.00 0.00 H new ATOM 848 N ARG A 57 -0.635 4.084 -6.924 1.00 0.00 N ATOM 849 CA ARG A 57 0.624 4.402 -7.585 1.00 0.00 C ATOM 850 C ARG A 57 0.694 3.753 -8.964 1.00 0.00 C ATOM 851 O ARG A 57 1.026 4.407 -9.952 1.00 0.00 O ATOM 852 CB ARG A 57 1.805 3.937 -6.731 1.00 0.00 C ATOM 853 CG ARG A 57 3.124 4.592 -7.107 1.00 0.00 C ATOM 854 CD ARG A 57 4.140 4.487 -5.980 1.00 0.00 C ATOM 855 NE ARG A 57 5.172 5.516 -6.075 1.00 0.00 N ATOM 856 CZ ARG A 57 5.925 5.899 -5.050 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.762 5.340 -3.859 1.00 0.00 N ATOM 858 NH2 ARG A 57 6.844 6.842 -5.216 1.00 0.00 N ATOM 0 H ARG A 57 -0.540 3.808 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 57 0.677 5.484 -7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.590 4.148 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.906 2.856 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.524 4.119 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.954 5.641 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.628 4.574 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.607 3.502 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 57 5.323 5.965 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.057 4.614 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.341 5.636 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.973 7.273 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.422 7.135 -4.428 1.00 0.00 H new ATOM 872 N GLN A 58 0.378 2.463 -9.022 1.00 0.00 N ATOM 873 CA GLN A 58 0.406 1.726 -10.280 1.00 0.00 C ATOM 874 C GLN A 58 -0.940 1.812 -10.991 1.00 0.00 C ATOM 875 O GLN A 58 -1.001 1.971 -12.209 1.00 0.00 O ATOM 876 CB GLN A 58 0.771 0.262 -10.029 1.00 0.00 C ATOM 877 CG GLN A 58 2.052 0.083 -9.231 1.00 0.00 C ATOM 878 CD GLN A 58 3.172 0.983 -9.715 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.595 0.902 -10.868 1.00 0.00 O ATOM 880 NE2 GLN A 58 3.659 1.848 -8.833 1.00 0.00 N ATOM 0 H GLN A 58 0.100 1.907 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 58 1.164 2.178 -10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.049 -0.222 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.875 -0.247 -10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.853 0.291 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.373 -0.957 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.278 1.881 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.414 2.479 -9.101 1.00 0.00 H new ATOM 889 N GLY A 59 -2.019 1.706 -10.221 1.00 0.00 N ATOM 890 CA GLY A 59 -3.350 1.773 -10.795 1.00 0.00 C ATOM 891 C GLY A 59 -4.078 0.445 -10.731 1.00 0.00 C ATOM 892 O GLY A 59 -4.969 0.177 -11.538 1.00 0.00 O ATOM 0 H GLY A 59 -1.995 1.575 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.932 2.528 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.278 2.094 -11.834 1.00 0.00 H new ATOM 896 N LEU A 60 -3.697 -0.390 -9.770 1.00 0.00 N ATOM 897 CA LEU A 60 -4.319 -1.699 -9.603 1.00 0.00 C ATOM 898 C LEU A 60 -5.381 -1.663 -8.509 1.00 0.00 C ATOM 899 O LEU A 60 -5.490 -0.686 -7.769 1.00 0.00 O ATOM 900 CB LEU A 60 -3.259 -2.749 -9.267 1.00 0.00 C ATOM 901 CG LEU A 60 -1.965 -2.681 -10.078 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.843 -3.411 -9.356 1.00 0.00 C ATOM 903 CD2 LEU A 60 -2.175 -3.264 -11.468 1.00 0.00 C ATOM 0 H LEU A 60 -2.961 -0.184 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.802 -1.967 -10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.007 -2.657 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.699 -3.737 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.680 -1.634 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.070 -3.352 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.675 -2.949 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.119 -4.456 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.243 -3.207 -12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.484 -4.306 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.948 -2.697 -11.987 1.00 0.00 H new ATOM 915 N SER A 61 -6.160 -2.735 -8.412 1.00 0.00 N ATOM 916 CA SER A 61 -7.214 -2.826 -7.409 1.00 0.00 C ATOM 917 C SER A 61 -6.753 -3.645 -6.207 1.00 0.00 C ATOM 918 O SER A 61 -6.152 -4.708 -6.361 1.00 0.00 O ATOM 919 CB SER A 61 -8.472 -3.452 -8.015 1.00 0.00 C ATOM 920 OG SER A 61 -8.474 -4.859 -7.842 1.00 0.00 O ATOM 0 H SER A 61 -6.081 -3.553 -9.016 1.00 0.00 H new ATOM 0 HA SER A 61 -7.446 -1.816 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.358 -3.023 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.526 -3.213 -9.077 1.00 0.00 H new ATOM 0 HG SER A 61 -9.190 -5.254 -8.382 1.00 0.00 H new ATOM 926 N MET A 62 -7.038 -3.142 -5.011 1.00 0.00 N ATOM 927 CA MET A 62 -6.653 -3.827 -3.783 1.00 0.00 C ATOM 928 C MET A 62 -6.869 -5.332 -3.909 1.00 0.00 C ATOM 929 O MET A 62 -5.943 -6.119 -3.715 1.00 0.00 O ATOM 930 CB MET A 62 -7.454 -3.283 -2.598 1.00 0.00 C ATOM 931 CG MET A 62 -6.710 -3.361 -1.274 1.00 0.00 C ATOM 932 SD MET A 62 -7.475 -2.358 0.013 1.00 0.00 S ATOM 933 CE MET A 62 -6.431 -0.903 -0.025 1.00 0.00 C ATOM 0 H MET A 62 -7.534 -2.263 -4.866 1.00 0.00 H new ATOM 0 HA MET A 62 -5.592 -3.643 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.719 -2.244 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.387 -3.840 -2.514 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.671 -4.399 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.681 -3.034 -1.420 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.436 -0.426 0.955 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.412 -1.193 -0.282 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.808 -0.204 -0.771 1.00 0.00 H new ATOM 943 N ARG A 63 -8.097 -5.723 -4.234 1.00 0.00 N ATOM 944 CA ARG A 63 -8.434 -7.134 -4.385 1.00 0.00 C ATOM 945 C ARG A 63 -7.438 -7.836 -5.304 1.00 0.00 C ATOM 946 O ARG A 63 -6.872 -8.868 -4.947 1.00 0.00 O ATOM 947 CB ARG A 63 -9.851 -7.285 -4.940 1.00 0.00 C ATOM 948 CG ARG A 63 -10.125 -6.416 -6.157 1.00 0.00 C ATOM 949 CD ARG A 63 -11.615 -6.196 -6.360 1.00 0.00 C ATOM 950 NE ARG A 63 -12.317 -7.441 -6.661 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.627 -7.601 -6.514 1.00 0.00 C ATOM 952 NH1 ARG A 63 -14.375 -6.599 -6.073 1.00 0.00 N ATOM 953 NH2 ARG A 63 -14.192 -8.765 -6.808 1.00 0.00 N ATOM 0 H ARG A 63 -8.875 -5.083 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.385 -7.601 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.019 -8.329 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.567 -7.035 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.627 -5.454 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.701 -6.887 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.041 -5.748 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.769 -5.487 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.771 -8.231 -7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.944 -5.703 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.381 -6.724 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.620 -9.538 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.198 -8.887 -6.695 1.00 0.00 H new ATOM 967 N GLN A 64 -7.232 -7.268 -6.488 1.00 0.00 N ATOM 968 CA GLN A 64 -6.306 -7.840 -7.458 1.00 0.00 C ATOM 969 C GLN A 64 -4.961 -8.152 -6.809 1.00 0.00 C ATOM 970 O GLN A 64 -4.296 -9.122 -7.173 1.00 0.00 O ATOM 971 CB GLN A 64 -6.108 -6.881 -8.633 1.00 0.00 C ATOM 972 CG GLN A 64 -5.823 -7.584 -9.950 1.00 0.00 C ATOM 973 CD GLN A 64 -4.940 -6.763 -10.870 1.00 0.00 C ATOM 974 OE1 GLN A 64 -5.273 -6.544 -12.035 1.00 0.00 O ATOM 975 NE2 GLN A 64 -3.808 -6.304 -10.351 1.00 0.00 N ATOM 0 H GLN A 64 -7.694 -6.413 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.736 -8.771 -7.827 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.001 -6.267 -8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.283 -6.206 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.342 -8.541 -9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.765 -7.800 -10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.572 -6.510 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.174 -5.745 -10.923 1.00 0.00 H new ATOM 984 N ILE A 65 -4.568 -7.324 -5.847 1.00 0.00 N ATOM 985 CA ILE A 65 -3.303 -7.512 -5.148 1.00 0.00 C ATOM 986 C ILE A 65 -3.530 -8.036 -3.734 1.00 0.00 C ATOM 987 O ILE A 65 -4.666 -8.125 -3.268 1.00 0.00 O ATOM 988 CB ILE A 65 -2.500 -6.200 -5.074 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.287 -5.137 -4.305 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.161 -5.707 -6.473 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.463 -3.922 -3.939 1.00 0.00 C ATOM 0 H ILE A 65 -5.107 -6.517 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.733 -8.245 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.568 -6.391 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.139 -4.820 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.688 -5.582 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.593 -4.779 -6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.565 -6.459 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.081 -5.529 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.085 -3.211 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.626 -4.226 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.083 -3.453 -4.847 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.440 -8.381 -3.055 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.520 -8.896 -1.693 1.00 0.00 C ATOM 1005 C ARG A 66 -1.298 -8.477 -0.882 1.00 0.00 C ATOM 1006 O ARG A 66 -0.160 -8.660 -1.314 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.637 -10.421 -1.708 1.00 0.00 C ATOM 1008 CG ARG A 66 -3.967 -10.925 -2.246 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.090 -10.711 -1.243 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.397 -10.648 -1.890 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.468 -10.093 -1.332 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.386 -9.556 -0.123 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.623 -10.074 -1.985 1.00 0.00 N ATOM 0 H ARG A 66 -1.492 -8.313 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.409 -8.475 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.830 -10.833 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.499 -10.798 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.204 -10.408 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.886 -11.986 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.085 -11.522 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.913 -9.787 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.494 -11.052 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.499 -9.568 0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.209 -9.131 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.689 -10.486 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.444 -9.648 -1.556 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.542 -7.914 0.297 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.461 -7.467 1.169 1.00 0.00 C ATOM 1029 C PHE A 67 -0.136 -8.527 2.218 1.00 0.00 C ATOM 1030 O PHE A 67 -1.013 -9.269 2.659 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.842 -6.154 1.856 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.962 -4.995 0.908 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.128 -4.790 0.188 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.090 -4.109 0.739 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.240 -3.725 -0.685 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.017 -3.042 -0.132 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.184 -2.849 -0.845 1.00 0.00 C ATOM 0 H PHE A 67 -2.478 -7.756 0.671 1.00 0.00 H new ATOM 0 HA PHE A 67 0.425 -7.304 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.790 -6.287 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.094 -5.918 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.958 -5.470 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.004 -4.254 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.153 -3.577 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.811 -2.360 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.271 -2.015 -1.526 1.00 0.00 H new ATOM 1047 N ARG A 68 1.132 -8.591 2.611 1.00 0.00 N ATOM 1048 CA ARG A 68 1.575 -9.560 3.606 1.00 0.00 C ATOM 1049 C ARG A 68 2.699 -8.985 4.463 1.00 0.00 C ATOM 1050 O ARG A 68 3.338 -8.002 4.089 1.00 0.00 O ATOM 1051 CB ARG A 68 2.047 -10.845 2.923 1.00 0.00 C ATOM 1052 CG ARG A 68 0.940 -11.865 2.712 1.00 0.00 C ATOM 1053 CD ARG A 68 1.501 -13.266 2.531 1.00 0.00 C ATOM 1054 NE ARG A 68 1.764 -13.574 1.128 1.00 0.00 N ATOM 1055 CZ ARG A 68 1.886 -14.810 0.657 1.00 0.00 C ATOM 1056 NH1 ARG A 68 1.770 -15.848 1.473 1.00 0.00 N ATOM 1057 NH2 ARG A 68 2.125 -15.009 -0.633 1.00 0.00 N ATOM 0 H ARG A 68 1.870 -7.984 2.256 1.00 0.00 H new ATOM 0 HA ARG A 68 0.729 -9.790 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.486 -10.593 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.836 -11.297 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.263 -11.851 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.353 -11.591 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.424 -13.363 3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.797 -13.993 2.936 1.00 0.00 H new ATOM 0 HE ARG A 68 1.859 -12.797 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.587 -15.699 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.864 -16.796 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.215 -14.213 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.219 -15.958 -0.994 1.00 0.00 H new ATOM 1071 N PHE A 69 2.933 -9.603 5.616 1.00 0.00 N ATOM 1072 CA PHE A 69 3.978 -9.152 6.527 1.00 0.00 C ATOM 1073 C PHE A 69 4.576 -10.328 7.294 1.00 0.00 C ATOM 1074 O PHE A 69 3.949 -10.875 8.201 1.00 0.00 O ATOM 1075 CB PHE A 69 3.418 -8.121 7.509 1.00 0.00 C ATOM 1076 CG PHE A 69 4.456 -7.541 8.427 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.468 -6.736 7.929 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.420 -7.802 9.787 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.424 -6.200 8.771 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.374 -7.269 10.634 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.378 -6.468 10.125 1.00 0.00 C ATOM 0 H PHE A 69 2.413 -10.418 5.941 1.00 0.00 H new ATOM 0 HA PHE A 69 4.767 -8.689 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.949 -7.313 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.636 -8.588 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.510 -6.525 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.638 -8.429 10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.206 -5.572 8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.334 -7.479 11.693 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.125 -6.052 10.785 1.00 0.00 H new ATOM 1091 N ASP A 70 5.793 -10.711 6.922 1.00 0.00 N ATOM 1092 CA ASP A 70 6.477 -11.822 7.574 1.00 0.00 C ATOM 1093 C ASP A 70 5.735 -13.133 7.334 1.00 0.00 C ATOM 1094 O ASP A 70 5.761 -14.034 8.171 1.00 0.00 O ATOM 1095 CB ASP A 70 6.603 -11.560 9.076 1.00 0.00 C ATOM 1096 CG ASP A 70 7.707 -12.379 9.715 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.883 -11.971 9.617 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.394 -13.429 10.316 1.00 0.00 O ATOM 0 H ASP A 70 6.326 -10.269 6.173 1.00 0.00 H new ATOM 0 HA ASP A 70 7.475 -11.906 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.798 -10.500 9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.655 -11.790 9.563 1.00 0.00 H new ATOM 1103 N GLY A 71 5.074 -13.232 6.185 1.00 0.00 N ATOM 1104 CA GLY A 71 4.334 -14.436 5.856 1.00 0.00 C ATOM 1105 C GLY A 71 3.022 -14.534 6.610 1.00 0.00 C ATOM 1106 O GLY A 71 2.622 -15.618 7.032 1.00 0.00 O ATOM 0 H GLY A 71 5.038 -12.500 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.136 -14.456 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.946 -15.309 6.083 1.00 0.00 H new ATOM 1110 N GLN A 72 2.353 -13.398 6.781 1.00 0.00 N ATOM 1111 CA GLN A 72 1.080 -13.362 7.492 1.00 0.00 C ATOM 1112 C GLN A 72 0.091 -12.439 6.788 1.00 0.00 C ATOM 1113 O GLN A 72 0.451 -11.383 6.267 1.00 0.00 O ATOM 1114 CB GLN A 72 1.291 -12.899 8.934 1.00 0.00 C ATOM 1115 CG GLN A 72 2.003 -13.922 9.804 1.00 0.00 C ATOM 1116 CD GLN A 72 1.867 -13.625 11.284 1.00 0.00 C ATOM 1117 OE1 GLN A 72 1.333 -14.433 12.045 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.351 -12.462 11.702 1.00 0.00 N ATOM 0 H GLN A 72 2.671 -12.492 6.438 1.00 0.00 H new ATOM 0 HA GLN A 72 0.666 -14.370 7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.868 -11.974 8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.323 -12.668 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.599 -14.913 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.060 -13.947 9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.786 -11.822 11.037 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.288 -12.208 12.688 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.188 -12.844 6.772 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.256 -12.068 6.135 1.00 0.00 C ATOM 1129 C PRO A 73 -2.571 -10.784 6.895 1.00 0.00 C ATOM 1130 O PRO A 73 -3.061 -10.824 8.024 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.455 -13.019 6.172 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.183 -13.928 7.320 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.689 -14.092 7.373 1.00 0.00 C ATOM 0 HA PRO A 73 -1.982 -11.744 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.388 -12.474 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.547 -13.576 5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.563 -13.506 8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.677 -14.890 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.334 -14.216 8.396 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.361 -14.968 6.813 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.287 -9.647 6.269 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.542 -8.351 6.886 1.00 0.00 C ATOM 1143 C ILE A 74 -3.763 -7.679 6.268 1.00 0.00 C ATOM 1144 O ILE A 74 -4.073 -7.887 5.096 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.329 -7.413 6.747 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.822 -7.409 5.304 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.222 -7.835 7.702 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.281 -6.404 5.053 1.00 0.00 C ATOM 0 H ILE A 74 -1.880 -9.597 5.335 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.728 -8.536 7.944 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.640 -6.401 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.459 -8.405 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.656 -7.196 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.629 -7.163 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.590 -7.791 8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.089 -8.854 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.591 -6.457 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.084 -5.401 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.132 -6.629 5.696 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.453 -6.870 7.066 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.641 -6.165 6.597 1.00 0.00 C ATOM 1162 C ASN A 75 -5.488 -4.658 6.784 1.00 0.00 C ATOM 1163 O ASN A 75 -4.769 -4.203 7.672 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.881 -6.660 7.343 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.019 -8.169 7.299 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.138 -8.824 8.334 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.003 -8.729 6.095 1.00 0.00 N ATOM 0 H ASN A 75 -4.210 -6.686 8.040 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.760 -6.371 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.831 -6.333 8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.770 -6.204 6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.091 -9.741 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.902 -8.147 5.263 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.172 -3.890 5.941 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.112 -2.435 6.014 1.00 0.00 C ATOM 1176 C GLU A 76 -6.471 -1.945 7.414 1.00 0.00 C ATOM 1177 O GLU A 76 -5.814 -1.059 7.962 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.057 -1.811 4.985 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.461 -2.391 5.018 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.387 -1.736 4.011 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.952 -0.670 4.333 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.545 -2.289 2.903 1.00 0.00 O ATOM 0 H GLU A 76 -6.773 -4.251 5.200 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.090 -2.128 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.113 -0.737 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.639 -1.951 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.413 -3.462 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.876 -2.272 6.019 1.00 0.00 H new ATOM 1189 N THR A 77 -7.519 -2.528 7.988 1.00 0.00 N ATOM 1190 CA THR A 77 -7.968 -2.151 9.322 1.00 0.00 C ATOM 1191 C THR A 77 -6.832 -2.254 10.334 1.00 0.00 C ATOM 1192 O THR A 77 -6.639 -1.360 11.157 1.00 0.00 O ATOM 1193 CB THR A 77 -9.140 -3.034 9.791 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.762 -4.414 9.744 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.368 -2.809 8.922 1.00 0.00 C ATOM 0 H THR A 77 -8.073 -3.264 7.549 1.00 0.00 H new ATOM 0 HA THR A 77 -8.304 -1.116 9.261 1.00 0.00 H new ATOM 0 HB THR A 77 -9.386 -2.760 10.817 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.512 -4.969 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.183 -3.443 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.670 -1.763 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.132 -3.059 7.888 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.084 -3.350 10.266 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.965 -3.569 11.175 1.00 0.00 C ATOM 1205 C ASP A 78 -3.944 -2.440 11.063 1.00 0.00 C ATOM 1206 O ASP A 78 -3.790 -1.831 10.004 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.294 -4.911 10.879 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.936 -6.058 11.635 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.337 -5.850 12.799 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.036 -7.164 11.063 1.00 0.00 O ATOM 0 H ASP A 78 -6.232 -4.100 9.591 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.354 -3.583 12.193 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.345 -5.111 9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.238 -4.852 11.142 1.00 0.00 H new ATOM 1215 N THR A 79 -3.250 -2.166 12.163 1.00 0.00 N ATOM 1216 CA THR A 79 -2.246 -1.110 12.189 1.00 0.00 C ATOM 1217 C THR A 79 -0.838 -1.691 12.256 1.00 0.00 C ATOM 1218 O THR A 79 -0.634 -2.844 12.634 1.00 0.00 O ATOM 1219 CB THR A 79 -2.456 -0.164 13.387 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.057 -0.877 14.474 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.336 1.014 12.999 1.00 0.00 C ATOM 0 H THR A 79 -3.365 -2.661 13.048 1.00 0.00 H new ATOM 0 HA THR A 79 -2.359 -0.544 11.264 1.00 0.00 H new ATOM 0 HB THR A 79 -1.483 0.217 13.696 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.186 -0.270 15.232 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.470 1.668 13.861 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.862 1.571 12.191 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.308 0.648 12.667 1.00 0.00 H new ATOM 1229 N PRO A 80 0.158 -0.875 11.880 1.00 0.00 N ATOM 1230 CA PRO A 80 1.565 -1.287 11.890 1.00 0.00 C ATOM 1231 C PRO A 80 2.108 -1.460 13.304 1.00 0.00 C ATOM 1232 O PRO A 80 3.107 -2.147 13.516 1.00 0.00 O ATOM 1233 CB PRO A 80 2.277 -0.132 11.181 1.00 0.00 C ATOM 1234 CG PRO A 80 1.393 1.047 11.396 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.012 0.513 11.418 1.00 0.00 C ATOM 0 HA PRO A 80 1.710 -2.255 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.270 0.036 11.598 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.408 -0.340 10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.634 1.550 12.333 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.519 1.780 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.649 1.086 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.473 0.554 10.431 1.00 0.00 H new ATOM 1243 N ALA A 81 1.444 -0.833 14.270 1.00 0.00 N ATOM 1244 CA ALA A 81 1.859 -0.920 15.664 1.00 0.00 C ATOM 1245 C ALA A 81 1.385 -2.224 16.298 1.00 0.00 C ATOM 1246 O ALA A 81 1.943 -2.678 17.296 1.00 0.00 O ATOM 1247 CB ALA A 81 1.332 0.272 16.448 1.00 0.00 C ATOM 0 H ALA A 81 0.616 -0.259 14.112 1.00 0.00 H new ATOM 0 HA ALA A 81 2.949 -0.907 15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.650 0.193 17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.725 1.193 16.017 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.243 0.285 16.402 1.00 0.00 H new ATOM 1253 N GLN A 82 0.351 -2.819 15.712 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.199 -4.070 16.221 1.00 0.00 C ATOM 1255 C GLN A 82 0.702 -5.247 15.863 1.00 0.00 C ATOM 1256 O GLN A 82 0.823 -6.205 16.627 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.604 -4.299 15.662 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.403 -5.339 16.430 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.274 -5.182 17.932 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -2.142 -4.069 18.442 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -2.311 -6.298 18.650 1.00 0.00 N ATOM 0 H GLN A 82 -0.122 -2.455 14.885 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.255 -3.997 17.307 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.148 -3.355 15.672 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.525 -4.610 14.620 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.454 -5.264 16.150 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.067 -6.335 16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.422 -7.200 18.186 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.229 -6.254 19.666 1.00 0.00 H new ATOM 1270 N LEU A 83 1.332 -5.169 14.696 1.00 0.00 N ATOM 1271 CA LEU A 83 2.223 -6.228 14.235 1.00 0.00 C ATOM 1272 C LEU A 83 3.676 -5.899 14.563 1.00 0.00 C ATOM 1273 O LEU A 83 4.597 -6.468 13.980 1.00 0.00 O ATOM 1274 CB LEU A 83 2.063 -6.437 12.728 1.00 0.00 C ATOM 1275 CG LEU A 83 0.626 -6.495 12.208 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.566 -6.046 10.756 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.061 -7.900 12.357 1.00 0.00 C ATOM 0 H LEU A 83 1.242 -4.383 14.052 1.00 0.00 H new ATOM 0 HA LEU A 83 1.952 -7.148 14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.583 -5.630 12.212 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.565 -7.365 12.455 1.00 0.00 H new ATOM 0 HG LEU A 83 0.017 -5.815 12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.464 -6.094 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.930 -5.022 10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.189 -6.701 10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.962 -7.922 11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.672 -8.600 11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.068 -8.185 13.409 1.00 0.00 H new ATOM 1289 N GLU A 84 3.871 -4.978 15.502 1.00 0.00 N ATOM 1290 CA GLU A 84 5.213 -4.574 15.907 1.00 0.00 C ATOM 1291 C GLU A 84 6.066 -4.224 14.692 1.00 0.00 C ATOM 1292 O GLU A 84 7.240 -4.587 14.620 1.00 0.00 O ATOM 1293 CB GLU A 84 5.883 -5.690 16.711 1.00 0.00 C ATOM 1294 CG GLU A 84 5.161 -6.027 18.005 1.00 0.00 C ATOM 1295 CD GLU A 84 5.642 -7.327 18.620 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.691 -7.312 19.297 1.00 0.00 O ATOM 1297 OE2 GLU A 84 4.968 -8.361 18.423 1.00 0.00 O ATOM 0 H GLU A 84 3.118 -4.498 15.996 1.00 0.00 H new ATOM 0 HA GLU A 84 5.125 -3.687 16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.941 -6.586 16.093 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.907 -5.395 16.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.306 -5.216 18.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.090 -6.095 17.812 1.00 0.00 H new ATOM 1304 N MET A 85 5.468 -3.516 13.740 1.00 0.00 N ATOM 1305 CA MET A 85 6.173 -3.116 12.528 1.00 0.00 C ATOM 1306 C MET A 85 7.271 -2.106 12.847 1.00 0.00 C ATOM 1307 O MET A 85 6.996 -0.929 13.076 1.00 0.00 O ATOM 1308 CB MET A 85 5.193 -2.519 11.516 1.00 0.00 C ATOM 1309 CG MET A 85 4.198 -3.528 10.967 1.00 0.00 C ATOM 1310 SD MET A 85 3.372 -2.946 9.473 1.00 0.00 S ATOM 1311 CE MET A 85 3.705 -4.303 8.352 1.00 0.00 C ATOM 0 H MET A 85 4.497 -3.207 13.784 1.00 0.00 H new ATOM 0 HA MET A 85 6.634 -4.004 12.096 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.647 -1.703 11.989 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.756 -2.088 10.688 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.716 -4.462 10.751 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.450 -3.747 11.729 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.980 -4.289 7.538 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.710 -4.200 7.944 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.627 -5.247 8.891 1.00 0.00 H new ATOM 1321 N GLU A 86 8.515 -2.575 12.859 1.00 0.00 N ATOM 1322 CA GLU A 86 9.653 -1.712 13.151 1.00 0.00 C ATOM 1323 C GLU A 86 10.084 -0.940 11.907 1.00 0.00 C ATOM 1324 O GLU A 86 9.648 -1.240 10.796 1.00 0.00 O ATOM 1325 CB GLU A 86 10.826 -2.539 13.683 1.00 0.00 C ATOM 1326 CG GLU A 86 11.424 -3.480 12.651 1.00 0.00 C ATOM 1327 CD GLU A 86 12.576 -4.297 13.205 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.483 -4.738 14.369 1.00 0.00 O ATOM 1329 OE2 GLU A 86 13.569 -4.494 12.474 1.00 0.00 O ATOM 0 H GLU A 86 8.760 -3.547 12.670 1.00 0.00 H new ATOM 0 HA GLU A 86 9.347 -0.996 13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.603 -1.864 14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.490 -3.121 14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.648 -4.153 12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.772 -2.901 11.795 1.00 0.00 H new ATOM 1336 N ASP A 87 10.942 0.055 12.103 1.00 0.00 N ATOM 1337 CA ASP A 87 11.433 0.870 10.998 1.00 0.00 C ATOM 1338 C ASP A 87 12.251 0.028 10.023 1.00 0.00 C ATOM 1339 O ASP A 87 12.803 -1.006 10.395 1.00 0.00 O ATOM 1340 CB ASP A 87 12.281 2.027 11.527 1.00 0.00 C ATOM 1341 CG ASP A 87 12.602 3.048 10.453 1.00 0.00 C ATOM 1342 OD1 ASP A 87 11.732 3.299 9.593 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.723 3.597 10.473 1.00 0.00 O ATOM 0 H ASP A 87 11.312 0.317 13.017 1.00 0.00 H new ATOM 0 HA ASP A 87 10.571 1.274 10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.752 2.518 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.210 1.634 11.940 1.00 0.00 H new ATOM 1348 N GLU A 88 12.321 0.480 8.775 1.00 0.00 N ATOM 1349 CA GLU A 88 13.070 -0.234 7.747 1.00 0.00 C ATOM 1350 C GLU A 88 12.475 -1.618 7.502 1.00 0.00 C ATOM 1351 O GLU A 88 13.177 -2.543 7.094 1.00 0.00 O ATOM 1352 CB GLU A 88 14.540 -0.363 8.152 1.00 0.00 C ATOM 1353 CG GLU A 88 15.277 0.965 8.201 1.00 0.00 C ATOM 1354 CD GLU A 88 15.117 1.768 6.924 1.00 0.00 C ATOM 1355 OE1 GLU A 88 14.029 2.345 6.718 1.00 0.00 O ATOM 1356 OE2 GLU A 88 16.081 1.819 6.132 1.00 0.00 O ATOM 0 H GLU A 88 11.869 1.335 8.452 1.00 0.00 H new ATOM 0 HA GLU A 88 13.004 0.339 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.598 -0.837 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.046 -1.024 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.908 1.551 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.336 0.782 8.381 1.00 0.00 H new ATOM 1363 N ASP A 89 11.178 -1.750 7.754 1.00 0.00 N ATOM 1364 CA ASP A 89 10.487 -3.020 7.561 1.00 0.00 C ATOM 1365 C ASP A 89 10.332 -3.334 6.076 1.00 0.00 C ATOM 1366 O ASP A 89 10.803 -2.586 5.219 1.00 0.00 O ATOM 1367 CB ASP A 89 9.114 -2.985 8.234 1.00 0.00 C ATOM 1368 CG ASP A 89 9.160 -3.473 9.669 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.276 -3.630 10.207 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.079 -3.695 10.254 1.00 0.00 O ATOM 0 H ASP A 89 10.583 -0.993 8.092 1.00 0.00 H new ATOM 0 HA ASP A 89 11.088 -3.806 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.728 -1.966 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.418 -3.602 7.666 1.00 0.00 H new ATOM 1375 N THR A 90 9.669 -4.447 5.778 1.00 0.00 N ATOM 1376 CA THR A 90 9.454 -4.862 4.398 1.00 0.00 C ATOM 1377 C THR A 90 8.077 -5.491 4.221 1.00 0.00 C ATOM 1378 O THR A 90 7.734 -6.457 4.903 1.00 0.00 O ATOM 1379 CB THR A 90 10.528 -5.867 3.939 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.831 -5.291 4.082 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.304 -6.275 2.491 1.00 0.00 C ATOM 0 H THR A 90 9.272 -5.077 6.475 1.00 0.00 H new ATOM 0 HA THR A 90 9.522 -3.964 3.784 1.00 0.00 H new ATOM 0 HB THR A 90 10.454 -6.756 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.508 -5.937 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.074 -6.985 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.323 -6.740 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.354 -5.393 1.853 1.00 0.00 H new ATOM 1389 N ILE A 91 7.293 -4.939 3.301 1.00 0.00 N ATOM 1390 CA ILE A 91 5.953 -5.448 3.035 1.00 0.00 C ATOM 1391 C ILE A 91 5.947 -6.368 1.818 1.00 0.00 C ATOM 1392 O ILE A 91 6.704 -6.164 0.869 1.00 0.00 O ATOM 1393 CB ILE A 91 4.951 -4.302 2.802 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.130 -3.216 3.865 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.526 -4.834 2.814 1.00 0.00 C ATOM 1396 CD1 ILE A 91 3.999 -2.211 3.898 1.00 0.00 C ATOM 0 H ILE A 91 7.562 -4.140 2.728 1.00 0.00 H new ATOM 0 HA ILE A 91 5.649 -6.012 3.917 1.00 0.00 H new ATOM 0 HB ILE A 91 5.145 -3.862 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.215 -3.688 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.067 -2.690 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.829 -4.012 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.408 -5.575 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.318 -5.296 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.192 -1.471 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.927 -1.712 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.062 -2.725 4.112 1.00 0.00 H new ATOM 1408 N ASP A 92 5.088 -7.380 1.854 1.00 0.00 N ATOM 1409 CA ASP A 92 4.980 -8.331 0.753 1.00 0.00 C ATOM 1410 C ASP A 92 3.713 -8.081 -0.059 1.00 0.00 C ATOM 1411 O ASP A 92 2.603 -8.138 0.471 1.00 0.00 O ATOM 1412 CB ASP A 92 4.985 -9.764 1.287 1.00 0.00 C ATOM 1413 CG ASP A 92 6.386 -10.273 1.567 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.338 -9.763 0.941 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.529 -11.181 2.412 1.00 0.00 O ATOM 0 H ASP A 92 4.456 -7.564 2.633 1.00 0.00 H new ATOM 0 HA ASP A 92 5.841 -8.192 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.395 -9.809 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.501 -10.420 0.563 1.00 0.00 H new ATOM 1420 N VAL A 93 3.887 -7.804 -1.347 1.00 0.00 N ATOM 1421 CA VAL A 93 2.757 -7.546 -2.232 1.00 0.00 C ATOM 1422 C VAL A 93 2.968 -8.195 -3.596 1.00 0.00 C ATOM 1423 O VAL A 93 4.099 -8.480 -3.991 1.00 0.00 O ATOM 1424 CB VAL A 93 2.529 -6.035 -2.425 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.424 -5.787 -3.440 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.202 -5.372 -1.095 1.00 0.00 C ATOM 0 H VAL A 93 4.799 -7.752 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 93 1.877 -7.981 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 93 3.448 -5.592 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.277 -4.714 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.704 -6.227 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.498 -6.242 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.044 -4.305 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.298 -5.816 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.030 -5.519 -0.402 1.00 0.00 H new ATOM 1436 N PHE A 94 1.872 -8.426 -4.310 1.00 0.00 N ATOM 1437 CA PHE A 94 1.936 -9.042 -5.631 1.00 0.00 C ATOM 1438 C PHE A 94 1.138 -8.232 -6.648 1.00 0.00 C ATOM 1439 O PHE A 94 -0.083 -8.118 -6.544 1.00 0.00 O ATOM 1440 CB PHE A 94 1.405 -10.476 -5.574 1.00 0.00 C ATOM 1441 CG PHE A 94 2.096 -11.331 -4.550 1.00 0.00 C ATOM 1442 CD1 PHE A 94 3.230 -12.055 -4.883 1.00 0.00 C ATOM 1443 CD2 PHE A 94 1.612 -11.411 -3.254 1.00 0.00 C ATOM 1444 CE1 PHE A 94 3.868 -12.842 -3.943 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.246 -12.196 -2.310 1.00 0.00 C ATOM 1446 CZ PHE A 94 3.375 -12.913 -2.655 1.00 0.00 C ATOM 0 H PHE A 94 0.929 -8.196 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 94 2.979 -9.060 -5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.338 -10.451 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.518 -10.936 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.620 -12.004 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 94 0.729 -10.853 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.751 -13.401 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 94 1.859 -12.249 -1.303 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.871 -13.528 -1.919 1.00 0.00 H new ATOM 1456 N GLN A 95 1.837 -7.673 -7.630 1.00 0.00 N ATOM 1457 CA GLN A 95 1.194 -6.873 -8.666 1.00 0.00 C ATOM 1458 C GLN A 95 0.803 -7.739 -9.859 1.00 0.00 C ATOM 1459 O GLN A 95 1.654 -8.132 -10.656 1.00 0.00 O ATOM 1460 CB GLN A 95 2.124 -5.746 -9.121 1.00 0.00 C ATOM 1461 CG GLN A 95 2.184 -4.578 -8.150 1.00 0.00 C ATOM 1462 CD GLN A 95 3.110 -3.475 -8.622 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.655 -3.535 -9.725 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.294 -2.458 -7.788 1.00 0.00 N ATOM 0 H GLN A 95 2.848 -7.759 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 95 0.288 -6.438 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.128 -6.147 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.792 -5.383 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.182 -4.172 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.518 -4.936 -7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.823 -2.449 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.907 -1.686 -8.052 1.00 0.00 H new ATOM 1473 N GLN A 96 -0.488 -8.032 -9.973 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.991 -8.853 -11.068 1.00 0.00 C ATOM 1475 C GLN A 96 -0.960 -8.082 -12.384 1.00 0.00 C ATOM 1476 O GLN A 96 -1.559 -7.013 -12.501 1.00 0.00 O ATOM 1477 CB GLN A 96 -2.416 -9.321 -10.771 1.00 0.00 C ATOM 1478 CG GLN A 96 -2.478 -10.565 -9.899 1.00 0.00 C ATOM 1479 CD GLN A 96 -1.558 -11.667 -10.388 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -1.349 -11.829 -11.591 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -1.002 -12.432 -9.456 1.00 0.00 N ATOM 0 H GLN A 96 -1.205 -7.713 -9.321 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.343 -9.725 -11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.959 -8.515 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.928 -9.521 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.210 -10.301 -8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.503 -10.936 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.203 -12.262 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.374 -13.189 -9.726 1.00 0.00 H new ATOM 1490 N GLN A 97 -0.259 -8.632 -13.370 1.00 0.00 N ATOM 1491 CA GLN A 97 -0.151 -7.995 -14.677 1.00 0.00 C ATOM 1492 C GLN A 97 -1.295 -8.425 -15.589 1.00 0.00 C ATOM 1493 O GLN A 97 -1.407 -9.596 -15.954 1.00 0.00 O ATOM 1494 CB GLN A 97 1.191 -8.339 -15.326 1.00 0.00 C ATOM 1495 CG GLN A 97 2.344 -7.483 -14.829 1.00 0.00 C ATOM 1496 CD GLN A 97 2.497 -6.195 -15.615 1.00 0.00 C ATOM 1497 OE1 GLN A 97 2.010 -5.142 -15.203 1.00 0.00 O ATOM 1498 NE2 GLN A 97 3.176 -6.273 -16.753 1.00 0.00 N ATOM 0 H GLN A 97 0.242 -9.517 -13.289 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.211 -6.916 -14.533 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.419 -9.388 -15.135 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.103 -8.223 -16.406 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.188 -7.245 -13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.270 -8.055 -14.893 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.562 -7.167 -17.056 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.311 -5.439 -17.324 1.00 0.00 H new ATOM 1507 N THR A 98 -2.145 -7.470 -15.955 1.00 0.00 N ATOM 1508 CA THR A 98 -3.282 -7.750 -16.823 1.00 0.00 C ATOM 1509 C THR A 98 -2.844 -7.882 -18.277 1.00 0.00 C ATOM 1510 O THR A 98 -3.147 -8.875 -18.938 1.00 0.00 O ATOM 1511 CB THR A 98 -4.352 -6.647 -16.720 1.00 0.00 C ATOM 1512 OG1 THR A 98 -4.803 -6.528 -15.366 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.534 -6.953 -17.628 1.00 0.00 C ATOM 0 H THR A 98 -2.067 -6.496 -15.663 1.00 0.00 H new ATOM 0 HA THR A 98 -3.710 -8.695 -16.488 1.00 0.00 H new ATOM 0 HB THR A 98 -3.904 -5.706 -17.038 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.482 -5.824 -15.308 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.277 -6.160 -17.538 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.193 -7.015 -18.661 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.981 -7.903 -17.336 1.00 0.00 H new ATOM 1521 N SER A 99 -2.129 -6.876 -18.769 1.00 0.00 N ATOM 1522 CA SER A 99 -1.651 -6.879 -20.147 1.00 0.00 C ATOM 1523 C SER A 99 -0.668 -5.737 -20.384 1.00 0.00 C ATOM 1524 O SER A 99 -0.911 -4.600 -19.983 1.00 0.00 O ATOM 1525 CB SER A 99 -2.828 -6.762 -21.117 1.00 0.00 C ATOM 1526 OG SER A 99 -3.136 -5.405 -21.385 1.00 0.00 O ATOM 0 H SER A 99 -1.868 -6.048 -18.234 1.00 0.00 H new ATOM 0 HA SER A 99 -1.135 -7.822 -20.324 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.588 -7.274 -22.049 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.701 -7.260 -20.696 1.00 0.00 H new ATOM 0 HG SER A 99 -3.533 -4.996 -20.588 1.00 0.00 H new ATOM 1532 N GLY A 100 0.447 -6.050 -21.039 1.00 0.00 N ATOM 1533 CA GLY A 100 1.451 -5.041 -21.318 1.00 0.00 C ATOM 1534 C GLY A 100 0.861 -3.792 -21.941 1.00 0.00 C ATOM 1535 O GLY A 100 0.979 -2.689 -21.406 1.00 0.00 O ATOM 0 H GLY A 100 0.672 -6.984 -21.381 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.961 -4.775 -20.392 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.203 -5.457 -21.988 1.00 0.00 H new ATOM 1539 N PRO A 101 0.208 -3.956 -23.101 1.00 0.00 N ATOM 1540 CA PRO A 101 -0.415 -2.843 -23.824 1.00 0.00 C ATOM 1541 C PRO A 101 -1.640 -2.296 -23.100 1.00 0.00 C ATOM 1542 O PRO A 101 -2.323 -1.404 -23.603 1.00 0.00 O ATOM 1543 CB PRO A 101 -0.819 -3.471 -25.161 1.00 0.00 C ATOM 1544 CG PRO A 101 -0.981 -4.922 -24.865 1.00 0.00 C ATOM 1545 CD PRO A 101 0.028 -5.242 -23.797 1.00 0.00 C ATOM 0 HA PRO A 101 0.259 -1.992 -23.924 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.746 -3.038 -25.538 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.057 -3.305 -25.923 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.993 -5.140 -24.524 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.809 -5.524 -25.757 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.334 -6.017 -23.122 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.964 -5.602 -24.224 1.00 0.00 H new ATOM 1553 N SER A 102 -1.912 -2.835 -21.916 1.00 0.00 N ATOM 1554 CA SER A 102 -3.058 -2.402 -21.124 1.00 0.00 C ATOM 1555 C SER A 102 -3.325 -0.913 -21.324 1.00 0.00 C ATOM 1556 O SER A 102 -2.454 -0.077 -21.081 1.00 0.00 O ATOM 1557 CB SER A 102 -2.819 -2.695 -19.642 1.00 0.00 C ATOM 1558 OG SER A 102 -3.233 -4.008 -19.308 1.00 0.00 O ATOM 0 H SER A 102 -1.355 -3.572 -21.484 1.00 0.00 H new ATOM 0 HA SER A 102 -3.933 -2.958 -21.461 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.761 -2.574 -19.410 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.363 -1.973 -19.033 1.00 0.00 H new ATOM 0 HG SER A 102 -2.446 -4.565 -19.133 1.00 0.00 H new ATOM 1564 N SER A 103 -4.535 -0.590 -21.768 1.00 0.00 N ATOM 1565 CA SER A 103 -4.917 0.797 -22.005 1.00 0.00 C ATOM 1566 C SER A 103 -6.017 1.230 -21.040 1.00 0.00 C ATOM 1567 O SER A 103 -6.925 0.460 -20.731 1.00 0.00 O ATOM 1568 CB SER A 103 -5.389 0.979 -23.449 1.00 0.00 C ATOM 1569 OG SER A 103 -6.120 2.184 -23.598 1.00 0.00 O ATOM 0 H SER A 103 -5.268 -1.270 -21.971 1.00 0.00 H new ATOM 0 HA SER A 103 -4.041 1.423 -21.835 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.529 0.987 -24.118 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.012 0.133 -23.741 1.00 0.00 H new ATOM 0 HG SER A 103 -6.409 2.278 -24.530 1.00 0.00 H new ATOM 1575 N GLY A 104 -5.927 2.469 -20.567 1.00 0.00 N ATOM 1576 CA GLY A 104 -6.919 2.984 -19.642 1.00 0.00 C ATOM 1577 C GLY A 104 -6.296 3.585 -18.397 1.00 0.00 C ATOM 1578 O GLY A 104 -6.866 3.505 -17.309 1.00 0.00 O ATOM 0 H GLY A 104 -5.184 3.125 -20.808 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.521 3.741 -20.145 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.595 2.179 -19.354 1.00 0.00 H new TER 1582 GLY A 104