USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 35 HIS : no HE2:sc= -2.84! K(o=-2.4!,f=-4.2) USER MOD Set 1.2: A 63 SER OG : rot -26:sc= 0.429 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -4! C(o=-4!,f=-2.8!) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.0437 K(o=-4,f=-5.3) 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0149 (180deg=-0.158) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.48 K(o=-1.5,f=-4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.061) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 6:sc= 1.23 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00195 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 155:sc= -0.626 (180deg=-2.84) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 175:sc= -6.05! (180deg=-6.45!) USER MOD Single : A 71 THR OG1 : rot -75:sc= 0 USER MOD Single : A 76 MET CE :methyl -123:sc= -2.5! (180deg=-6.63!) USER MOD Single : A 78 MET CE :methyl 149:sc= -2.99! (180deg=-5.27!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -8:sc= 0.275 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.82! K(o=-1.8!,f=-1.1) USER MOD Single : A 93 CYS SG : rot 50:sc= -0.153 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 143:sc= -0.212 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 135:sc= 0.241 (180deg=-0.911) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -162:sc= 0.159 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.578 0.871 -18.283 1.00 0.00 N ATOM 2 CA GLY A 1 17.570 0.589 -17.263 1.00 0.00 C ATOM 3 C GLY A 1 17.070 0.897 -15.866 1.00 0.00 C ATOM 4 O GLY A 1 17.645 1.728 -15.162 1.00 0.00 O ATOM 0 H1 GLY A 1 16.969 0.644 -19.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.730 0.293 -18.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.323 1.879 -18.250 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.856 -0.461 -17.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.467 1.175 -17.462 1.00 0.00 H new ATOM 8 N SER A 2 15.996 0.227 -15.462 1.00 0.00 N ATOM 9 CA SER A 2 15.415 0.436 -14.142 1.00 0.00 C ATOM 10 C SER A 2 14.725 1.795 -14.061 1.00 0.00 C ATOM 11 O SER A 2 14.879 2.635 -14.947 1.00 0.00 O ATOM 12 CB SER A 2 16.497 0.338 -13.064 1.00 0.00 C ATOM 13 OG SER A 2 16.182 -0.669 -12.117 1.00 0.00 O ATOM 0 H SER A 2 15.510 -0.466 -16.031 1.00 0.00 H new ATOM 0 HA SER A 2 14.670 -0.342 -13.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.458 0.118 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.600 1.298 -12.558 1.00 0.00 H new ATOM 0 HG SER A 2 16.889 -0.714 -11.440 1.00 0.00 H new ATOM 19 N SER A 3 13.962 2.002 -12.992 1.00 0.00 N ATOM 20 CA SER A 3 13.244 3.256 -12.797 1.00 0.00 C ATOM 21 C SER A 3 13.519 3.829 -11.410 1.00 0.00 C ATOM 22 O SER A 3 12.920 3.408 -10.422 1.00 0.00 O ATOM 23 CB SER A 3 11.741 3.042 -12.984 1.00 0.00 C ATOM 24 OG SER A 3 11.445 2.626 -14.307 1.00 0.00 O ATOM 0 H SER A 3 13.825 1.318 -12.248 1.00 0.00 H new ATOM 0 HA SER A 3 13.598 3.968 -13.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.386 2.293 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.209 3.967 -12.763 1.00 0.00 H new ATOM 0 HG SER A 3 10.478 2.494 -14.400 1.00 0.00 H new ATOM 30 N GLY A 4 14.430 4.795 -11.346 1.00 0.00 N ATOM 31 CA GLY A 4 14.771 5.411 -10.076 1.00 0.00 C ATOM 32 C GLY A 4 13.633 6.237 -9.510 1.00 0.00 C ATOM 33 O GLY A 4 13.425 7.381 -9.916 1.00 0.00 O ATOM 0 H GLY A 4 14.938 5.162 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.044 4.635 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.647 6.046 -10.207 1.00 0.00 H new ATOM 37 N SER A 5 12.893 5.658 -8.571 1.00 0.00 N ATOM 38 CA SER A 5 11.766 6.347 -7.952 1.00 0.00 C ATOM 39 C SER A 5 11.928 6.399 -6.436 1.00 0.00 C ATOM 40 O SER A 5 11.855 5.375 -5.757 1.00 0.00 O ATOM 41 CB SER A 5 10.453 5.648 -8.313 1.00 0.00 C ATOM 42 OG SER A 5 10.295 5.553 -9.717 1.00 0.00 O ATOM 0 H SER A 5 13.053 4.713 -8.222 1.00 0.00 H new ATOM 0 HA SER A 5 11.742 7.368 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.436 4.651 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.615 6.199 -7.886 1.00 0.00 H new ATOM 0 HG SER A 5 9.450 5.101 -9.921 1.00 0.00 H new ATOM 48 N SER A 6 12.148 7.601 -5.912 1.00 0.00 N ATOM 49 CA SER A 6 12.325 7.789 -4.477 1.00 0.00 C ATOM 50 C SER A 6 12.462 9.269 -4.135 1.00 0.00 C ATOM 51 O SER A 6 13.209 10.000 -4.784 1.00 0.00 O ATOM 52 CB SER A 6 13.557 7.025 -3.989 1.00 0.00 C ATOM 53 OG SER A 6 14.738 7.520 -4.597 1.00 0.00 O ATOM 0 H SER A 6 12.208 8.459 -6.460 1.00 0.00 H new ATOM 0 HA SER A 6 11.441 7.398 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.638 7.113 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.445 5.965 -4.215 1.00 0.00 H new ATOM 0 HG SER A 6 15.511 7.016 -4.267 1.00 0.00 H new ATOM 59 N GLY A 7 11.734 9.704 -3.111 1.00 0.00 N ATOM 60 CA GLY A 7 11.788 11.094 -2.701 1.00 0.00 C ATOM 61 C GLY A 7 10.421 11.647 -2.345 1.00 0.00 C ATOM 62 O GLY A 7 9.399 11.152 -2.821 1.00 0.00 O ATOM 0 H GLY A 7 11.108 9.118 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.451 11.191 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.220 11.690 -3.505 1.00 0.00 H new ATOM 66 N LYS A 8 10.401 12.675 -1.504 1.00 0.00 N ATOM 67 CA LYS A 8 9.151 13.297 -1.083 1.00 0.00 C ATOM 68 C LYS A 8 8.826 14.507 -1.954 1.00 0.00 C ATOM 69 O LYS A 8 7.759 14.576 -2.566 1.00 0.00 O ATOM 70 CB LYS A 8 9.236 13.719 0.384 1.00 0.00 C ATOM 71 CG LYS A 8 8.145 13.119 1.255 1.00 0.00 C ATOM 72 CD LYS A 8 8.663 12.775 2.641 1.00 0.00 C ATOM 73 CE LYS A 8 8.162 13.764 3.684 1.00 0.00 C ATOM 74 NZ LYS A 8 6.698 13.625 3.921 1.00 0.00 N ATOM 0 H LYS A 8 11.238 13.096 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 8 8.352 12.564 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.208 13.427 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.181 14.806 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.317 13.823 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.752 12.221 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.345 11.768 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.753 12.773 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.698 13.608 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.382 14.780 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.451 14.063 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.176 14.098 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.444 12.617 3.941 1.00 0.00 H new ATOM 88 N LYS A 9 9.752 15.458 -2.006 1.00 0.00 N ATOM 89 CA LYS A 9 9.565 16.665 -2.803 1.00 0.00 C ATOM 90 C LYS A 9 8.214 17.310 -2.507 1.00 0.00 C ATOM 91 O LYS A 9 7.242 17.136 -3.241 1.00 0.00 O ATOM 92 CB LYS A 9 9.668 16.336 -4.295 1.00 0.00 C ATOM 93 CG LYS A 9 10.630 17.237 -5.050 1.00 0.00 C ATOM 94 CD LYS A 9 11.140 16.571 -6.317 1.00 0.00 C ATOM 95 CE LYS A 9 12.598 16.914 -6.579 1.00 0.00 C ATOM 96 NZ LYS A 9 12.857 17.166 -8.024 1.00 0.00 N ATOM 0 H LYS A 9 10.640 15.417 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 9 10.351 17.371 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.988 15.300 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.679 16.416 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.130 18.172 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.473 17.491 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.029 15.490 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.533 16.887 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.873 17.796 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.231 16.097 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.862 17.396 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.619 16.315 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.272 17.962 -8.348 1.00 0.00 H new ATOM 110 N PRO A 10 8.152 18.074 -1.406 1.00 0.00 N ATOM 111 CA PRO A 10 6.926 18.762 -0.988 1.00 0.00 C ATOM 112 C PRO A 10 6.558 19.908 -1.924 1.00 0.00 C ATOM 113 O PRO A 10 7.279 20.899 -2.019 1.00 0.00 O ATOM 114 CB PRO A 10 7.276 19.298 0.401 1.00 0.00 C ATOM 115 CG PRO A 10 8.760 19.434 0.392 1.00 0.00 C ATOM 116 CD PRO A 10 9.273 18.325 -0.485 1.00 0.00 C ATOM 0 HA PRO A 10 6.062 18.098 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.792 20.256 0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.946 18.615 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.060 20.408 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.165 19.353 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.175 18.621 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.523 17.437 0.095 1.00 0.00 H new ATOM 124 N GLU A 11 5.429 19.765 -2.613 1.00 0.00 N ATOM 125 CA GLU A 11 4.966 20.789 -3.542 1.00 0.00 C ATOM 126 C GLU A 11 3.460 20.682 -3.761 1.00 0.00 C ATOM 127 O GLU A 11 2.829 19.708 -3.356 1.00 0.00 O ATOM 128 CB GLU A 11 5.699 20.665 -4.879 1.00 0.00 C ATOM 129 CG GLU A 11 6.119 22.000 -5.469 1.00 0.00 C ATOM 130 CD GLU A 11 5.067 22.592 -6.386 1.00 0.00 C ATOM 131 OE1 GLU A 11 4.887 22.063 -7.503 1.00 0.00 O ATOM 132 OE2 GLU A 11 4.422 23.583 -5.986 1.00 0.00 O ATOM 0 H GLU A 11 4.819 18.950 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 11 5.184 21.765 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.584 20.043 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.054 20.150 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.326 22.701 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.048 21.871 -6.024 1.00 0.00 H new ATOM 139 N GLY A 12 2.889 21.695 -4.408 1.00 0.00 N ATOM 140 CA GLY A 12 1.462 21.697 -4.671 1.00 0.00 C ATOM 141 C GLY A 12 1.017 20.487 -5.468 1.00 0.00 C ATOM 142 O GLY A 12 1.556 20.208 -6.540 1.00 0.00 O ATOM 0 H GLY A 12 3.390 22.513 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.921 21.724 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.197 22.604 -5.215 1.00 0.00 H new ATOM 146 N LYS A 13 0.033 19.765 -4.944 1.00 0.00 N ATOM 147 CA LYS A 13 -0.484 18.576 -5.613 1.00 0.00 C ATOM 148 C LYS A 13 -1.537 18.952 -6.651 1.00 0.00 C ATOM 149 O LYS A 13 -2.235 19.958 -6.526 1.00 0.00 O ATOM 150 CB LYS A 13 -1.083 17.610 -4.589 1.00 0.00 C ATOM 151 CG LYS A 13 -2.410 18.078 -4.015 1.00 0.00 C ATOM 152 CD LYS A 13 -3.354 16.912 -3.772 1.00 0.00 C ATOM 153 CE LYS A 13 -4.130 17.085 -2.476 1.00 0.00 C ATOM 154 NZ LYS A 13 -3.310 16.724 -1.286 1.00 0.00 N ATOM 0 H LYS A 13 -0.423 19.982 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 13 0.345 18.086 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.223 16.636 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.373 17.471 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.236 18.608 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.874 18.787 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.051 16.826 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.785 15.983 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.463 18.119 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.025 16.463 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.875 16.855 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.013 15.730 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.469 17.334 -1.246 1.00 0.00 H new ATOM 168 N PRO A 14 -1.656 18.125 -7.700 1.00 0.00 N ATOM 169 CA PRO A 14 -2.624 18.348 -8.778 1.00 0.00 C ATOM 170 C PRO A 14 -4.063 18.135 -8.320 1.00 0.00 C ATOM 171 O PRO A 14 -4.366 17.161 -7.631 1.00 0.00 O ATOM 172 CB PRO A 14 -2.235 17.302 -9.826 1.00 0.00 C ATOM 173 CG PRO A 14 -1.563 16.222 -9.051 1.00 0.00 C ATOM 174 CD PRO A 14 -0.858 16.907 -7.913 1.00 0.00 C ATOM 0 HA PRO A 14 -2.593 19.373 -9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.111 16.925 -10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.568 17.724 -10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.289 15.498 -8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.856 15.675 -9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.834 16.281 -7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.176 17.143 -8.165 1.00 0.00 H new ATOM 182 N ASP A 15 -4.944 19.050 -8.708 1.00 0.00 N ATOM 183 CA ASP A 15 -6.352 18.960 -8.338 1.00 0.00 C ATOM 184 C ASP A 15 -7.246 19.418 -9.487 1.00 0.00 C ATOM 185 O ASP A 15 -7.564 20.601 -9.604 1.00 0.00 O ATOM 186 CB ASP A 15 -6.628 19.802 -7.093 1.00 0.00 C ATOM 187 CG ASP A 15 -7.225 18.986 -5.962 1.00 0.00 C ATOM 188 OD1 ASP A 15 -8.294 18.376 -6.170 1.00 0.00 O ATOM 189 OD2 ASP A 15 -6.620 18.958 -4.870 1.00 0.00 O ATOM 0 H ASP A 15 -4.709 19.862 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.579 17.917 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.699 20.261 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.309 20.613 -7.350 1.00 0.00 H new ATOM 194 N GLN A 16 -7.645 18.474 -10.333 1.00 0.00 N ATOM 195 CA GLN A 16 -8.501 18.782 -11.473 1.00 0.00 C ATOM 196 C GLN A 16 -9.556 17.699 -11.669 1.00 0.00 C ATOM 197 O GLN A 16 -9.235 16.553 -11.983 1.00 0.00 O ATOM 198 CB GLN A 16 -7.660 18.928 -12.743 1.00 0.00 C ATOM 199 CG GLN A 16 -7.228 20.358 -13.024 1.00 0.00 C ATOM 200 CD GLN A 16 -5.740 20.475 -13.293 1.00 0.00 C ATOM 201 OE1 GLN A 16 -5.295 20.397 -14.437 1.00 0.00 O ATOM 202 NE2 GLN A 16 -4.962 20.667 -12.233 1.00 0.00 N ATOM 0 H GLN A 16 -7.390 17.490 -10.251 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.009 19.725 -11.271 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.774 18.300 -12.656 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.232 18.556 -13.593 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.780 20.738 -13.884 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.490 20.987 -12.173 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.374 20.725 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.953 20.756 -12.351 1.00 0.00 H new ATOM 211 N LYS A 17 -10.819 18.070 -11.482 1.00 0.00 N ATOM 212 CA LYS A 17 -11.924 17.132 -11.640 1.00 0.00 C ATOM 213 C LYS A 17 -12.762 17.479 -12.866 1.00 0.00 C ATOM 214 O LYS A 17 -12.855 16.693 -13.809 1.00 0.00 O ATOM 215 CB LYS A 17 -12.806 17.136 -10.389 1.00 0.00 C ATOM 216 CG LYS A 17 -12.752 15.838 -9.603 1.00 0.00 C ATOM 217 CD LYS A 17 -13.567 15.926 -8.324 1.00 0.00 C ATOM 218 CE LYS A 17 -13.642 14.581 -7.617 1.00 0.00 C ATOM 219 NZ LYS A 17 -15.009 14.301 -7.097 1.00 0.00 N ATOM 0 H LYS A 17 -11.102 19.014 -11.221 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.504 16.136 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.499 17.957 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.838 17.331 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.129 15.022 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.716 15.602 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.121 16.664 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.574 16.273 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.348 13.791 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.930 14.565 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.017 13.376 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.280 15.041 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.686 14.291 -7.887 1.00 0.00 H new ATOM 233 N PHE A 18 -13.368 18.662 -12.848 1.00 0.00 N ATOM 234 CA PHE A 18 -14.198 19.113 -13.959 1.00 0.00 C ATOM 235 C PHE A 18 -15.544 18.395 -13.959 1.00 0.00 C ATOM 236 O PHE A 18 -16.592 19.019 -13.801 1.00 0.00 O ATOM 237 CB PHE A 18 -13.479 18.876 -15.288 1.00 0.00 C ATOM 238 CG PHE A 18 -13.399 20.100 -16.155 1.00 0.00 C ATOM 239 CD1 PHE A 18 -14.423 20.409 -17.037 1.00 0.00 C ATOM 240 CD2 PHE A 18 -12.302 20.943 -16.085 1.00 0.00 C ATOM 241 CE1 PHE A 18 -14.350 21.536 -17.834 1.00 0.00 C ATOM 242 CE2 PHE A 18 -12.225 22.072 -16.881 1.00 0.00 C ATOM 243 CZ PHE A 18 -13.252 22.368 -17.756 1.00 0.00 C ATOM 0 H PHE A 18 -13.300 19.325 -12.076 1.00 0.00 H new ATOM 0 HA PHE A 18 -14.377 20.181 -13.837 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.470 18.517 -15.087 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.995 18.087 -15.835 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.286 19.763 -17.102 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.497 20.716 -15.401 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.153 21.766 -18.518 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.364 22.721 -16.818 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.196 23.249 -18.378 1.00 0.00 H new ATOM 253 N ASP A 19 -15.505 17.080 -14.138 1.00 0.00 N ATOM 254 CA ASP A 19 -16.721 16.275 -14.159 1.00 0.00 C ATOM 255 C ASP A 19 -16.396 14.794 -13.984 1.00 0.00 C ATOM 256 O ASP A 19 -15.307 14.343 -14.334 1.00 0.00 O ATOM 257 CB ASP A 19 -17.479 16.491 -15.470 1.00 0.00 C ATOM 258 CG ASP A 19 -16.848 15.750 -16.633 1.00 0.00 C ATOM 259 OD1 ASP A 19 -15.627 15.494 -16.581 1.00 0.00 O ATOM 260 OD2 ASP A 19 -17.575 15.428 -17.596 1.00 0.00 O ATOM 0 H ASP A 19 -14.645 16.548 -14.271 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.351 16.592 -13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.510 16.160 -15.349 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.511 17.557 -15.696 1.00 0.00 H new ATOM 265 N GLN A 20 -17.349 14.045 -13.438 1.00 0.00 N ATOM 266 CA GLN A 20 -17.163 12.617 -13.215 1.00 0.00 C ATOM 267 C GLN A 20 -16.683 11.924 -14.486 1.00 0.00 C ATOM 268 O GLN A 20 -16.502 12.563 -15.523 1.00 0.00 O ATOM 269 CB GLN A 20 -18.468 11.980 -12.735 1.00 0.00 C ATOM 270 CG GLN A 20 -18.328 11.214 -11.429 1.00 0.00 C ATOM 271 CD GLN A 20 -19.429 11.539 -10.440 1.00 0.00 C ATOM 272 OE1 GLN A 20 -20.614 11.404 -10.748 1.00 0.00 O ATOM 273 NE2 GLN A 20 -19.044 11.971 -9.246 1.00 0.00 N ATOM 0 H GLN A 20 -18.257 14.404 -13.142 1.00 0.00 H new ATOM 0 HA GLN A 20 -16.401 12.492 -12.446 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.219 12.760 -12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.837 11.303 -13.506 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.336 10.144 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.362 11.444 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.051 12.068 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.741 12.206 -8.540 1.00 0.00 H new ATOM 282 N LYS A 21 -16.477 10.614 -14.399 1.00 0.00 N ATOM 283 CA LYS A 21 -16.018 9.834 -15.542 1.00 0.00 C ATOM 284 C LYS A 21 -14.840 10.517 -16.229 1.00 0.00 C ATOM 285 O LYS A 21 -14.711 10.470 -17.453 1.00 0.00 O ATOM 286 CB LYS A 21 -17.160 9.636 -16.542 1.00 0.00 C ATOM 287 CG LYS A 21 -17.909 8.328 -16.359 1.00 0.00 C ATOM 288 CD LYS A 21 -18.636 7.919 -17.628 1.00 0.00 C ATOM 289 CE LYS A 21 -19.960 7.238 -17.318 1.00 0.00 C ATOM 290 NZ LYS A 21 -20.441 6.412 -18.460 1.00 0.00 N ATOM 0 H LYS A 21 -16.621 10.070 -13.548 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.689 8.861 -15.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.863 10.464 -16.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.757 9.675 -17.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.209 7.544 -16.071 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.626 8.429 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.814 8.799 -18.246 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.006 7.245 -18.208 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.846 6.607 -16.436 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.708 7.993 -17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.346 5.965 -18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.574 7.018 -19.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.739 5.675 -18.676 1.00 0.00 H new ATOM 304 N GLN A 22 -13.982 11.148 -15.434 1.00 0.00 N ATOM 305 CA GLN A 22 -12.814 11.839 -15.968 1.00 0.00 C ATOM 306 C GLN A 22 -11.581 11.567 -15.110 1.00 0.00 C ATOM 307 O GLN A 22 -10.646 10.898 -15.548 1.00 0.00 O ATOM 308 CB GLN A 22 -13.075 13.345 -16.041 1.00 0.00 C ATOM 309 CG GLN A 22 -11.886 14.144 -16.550 1.00 0.00 C ATOM 310 CD GLN A 22 -12.290 15.482 -17.137 1.00 0.00 C ATOM 311 OE1 GLN A 22 -13.040 16.241 -16.522 1.00 0.00 O ATOM 312 NE2 GLN A 22 -11.793 15.780 -18.332 1.00 0.00 N ATOM 0 H GLN A 22 -14.073 11.195 -14.419 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.627 11.460 -16.973 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.930 13.526 -16.693 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.348 13.707 -15.050 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.186 14.308 -15.731 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.360 13.563 -17.308 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.175 15.121 -18.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.029 16.668 -18.776 1.00 0.00 H new ATOM 321 N GLU A 23 -11.590 12.090 -13.888 1.00 0.00 N ATOM 322 CA GLU A 23 -10.472 11.902 -12.970 1.00 0.00 C ATOM 323 C GLU A 23 -10.970 11.605 -11.560 1.00 0.00 C ATOM 324 O GLU A 23 -11.865 12.279 -11.049 1.00 0.00 O ATOM 325 CB GLU A 23 -9.582 13.147 -12.957 1.00 0.00 C ATOM 326 CG GLU A 23 -8.199 12.899 -12.378 1.00 0.00 C ATOM 327 CD GLU A 23 -7.121 13.707 -13.074 1.00 0.00 C ATOM 328 OE1 GLU A 23 -6.874 13.457 -14.272 1.00 0.00 O ATOM 329 OE2 GLU A 23 -6.526 14.590 -12.423 1.00 0.00 O ATOM 0 H GLU A 23 -12.357 12.646 -13.511 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.888 11.049 -13.317 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.479 13.520 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.074 13.929 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.204 13.146 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.961 11.838 -12.457 1.00 0.00 H new ATOM 336 N LEU A 24 -10.385 10.589 -10.934 1.00 0.00 N ATOM 337 CA LEU A 24 -10.769 10.200 -9.582 1.00 0.00 C ATOM 338 C LEU A 24 -9.538 9.993 -8.705 1.00 0.00 C ATOM 339 O LEU A 24 -9.496 10.442 -7.560 1.00 0.00 O ATOM 340 CB LEU A 24 -11.605 8.919 -9.616 1.00 0.00 C ATOM 341 CG LEU A 24 -12.832 8.944 -10.529 1.00 0.00 C ATOM 342 CD1 LEU A 24 -13.535 7.596 -10.515 1.00 0.00 C ATOM 343 CD2 LEU A 24 -13.788 10.050 -10.107 1.00 0.00 C ATOM 0 H LEU A 24 -9.643 10.020 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.366 11.005 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.961 8.097 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.936 8.698 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.500 9.147 -11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.405 7.633 -11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.849 6.824 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.855 7.363 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.655 10.053 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.114 9.878 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.281 11.013 -10.170 1.00 0.00 H new ATOM 355 N GLY A 25 -8.536 9.310 -9.251 1.00 0.00 N ATOM 356 CA GLY A 25 -7.316 9.057 -8.506 1.00 0.00 C ATOM 357 C GLY A 25 -7.289 7.671 -7.894 1.00 0.00 C ATOM 358 O GLY A 25 -7.939 7.419 -6.879 1.00 0.00 O ATOM 0 H GLY A 25 -8.547 8.927 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.458 9.176 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.215 9.802 -7.717 1.00 0.00 H new ATOM 362 N ARG A 26 -6.535 6.768 -8.512 1.00 0.00 N ATOM 363 CA ARG A 26 -6.427 5.399 -8.024 1.00 0.00 C ATOM 364 C ARG A 26 -5.031 5.127 -7.471 1.00 0.00 C ATOM 365 O ARG A 26 -4.078 4.934 -8.228 1.00 0.00 O ATOM 366 CB ARG A 26 -6.745 4.408 -9.146 1.00 0.00 C ATOM 367 CG ARG A 26 -8.154 4.544 -9.697 1.00 0.00 C ATOM 368 CD ARG A 26 -8.143 4.849 -11.186 1.00 0.00 C ATOM 369 NE ARG A 26 -8.091 6.284 -11.451 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.396 6.827 -12.624 1.00 0.00 C ATOM 371 NH1 ARG A 26 -8.772 6.058 -13.636 1.00 0.00 N ATOM 372 NH2 ARG A 26 -8.323 8.142 -12.787 1.00 0.00 N ATOM 0 H ARG A 26 -5.990 6.960 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.150 5.269 -7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.031 4.550 -9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.606 3.393 -8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.707 3.622 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.678 5.338 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.284 4.364 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.035 4.427 -11.649 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.805 6.904 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.828 5.047 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.006 6.477 -14.536 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.032 8.737 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.557 8.558 -13.688 1.00 0.00 H new ATOM 386 N VAL A 27 -4.917 5.113 -6.146 1.00 0.00 N ATOM 387 CA VAL A 27 -3.639 4.864 -5.492 1.00 0.00 C ATOM 388 C VAL A 27 -3.795 3.888 -4.332 1.00 0.00 C ATOM 389 O VAL A 27 -4.596 4.113 -3.423 1.00 0.00 O ATOM 390 CB VAL A 27 -3.012 6.171 -4.969 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.928 5.871 -3.946 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.456 6.993 -6.122 1.00 0.00 C ATOM 0 H VAL A 27 -5.695 5.271 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.980 4.428 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.790 6.756 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.497 6.806 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.360 5.326 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.149 5.266 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.017 7.913 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.691 6.417 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.261 7.239 -6.815 1.00 0.00 H new ATOM 402 N ILE A 28 -3.027 2.806 -4.368 1.00 0.00 N ATOM 403 CA ILE A 28 -3.079 1.796 -3.317 1.00 0.00 C ATOM 404 C ILE A 28 -2.040 2.072 -2.236 1.00 0.00 C ATOM 405 O ILE A 28 -0.843 1.867 -2.443 1.00 0.00 O ATOM 406 CB ILE A 28 -2.851 0.382 -3.883 1.00 0.00 C ATOM 407 CG1 ILE A 28 -4.021 -0.027 -4.781 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.669 -0.618 -2.752 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.219 -0.541 -4.013 1.00 0.00 C ATOM 0 H ILE A 28 -2.361 2.605 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.076 1.847 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.942 0.390 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.325 0.830 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.685 -0.799 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.509 -1.613 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.806 -0.333 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.561 -0.626 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.010 -0.812 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.931 -1.418 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.580 0.236 -3.340 1.00 0.00 H new ATOM 421 N HIS A 29 -2.505 2.539 -1.081 1.00 0.00 N ATOM 422 CA HIS A 29 -1.616 2.841 0.035 1.00 0.00 C ATOM 423 C HIS A 29 -1.254 1.573 0.801 1.00 0.00 C ATOM 424 O HIS A 29 -2.122 0.757 1.117 1.00 0.00 O ATOM 425 CB HIS A 29 -2.272 3.850 0.977 1.00 0.00 C ATOM 426 CG HIS A 29 -1.336 4.403 2.009 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.768 5.027 3.160 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.016 4.421 2.057 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.723 5.406 3.871 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.373 5.051 3.224 1.00 0.00 N ATOM 0 H HIS A 29 -3.492 2.716 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.700 3.273 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.678 4.673 0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.113 3.372 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.689 4.016 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.758 5.919 4.821 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.328 5.218 3.540 1.00 0.00 H new ATOM 438 N LEU A 30 0.031 1.412 1.095 1.00 0.00 N ATOM 439 CA LEU A 30 0.508 0.241 1.823 1.00 0.00 C ATOM 440 C LEU A 30 1.324 0.654 3.043 1.00 0.00 C ATOM 441 O LEU A 30 2.443 1.151 2.915 1.00 0.00 O ATOM 442 CB LEU A 30 1.354 -0.646 0.906 1.00 0.00 C ATOM 443 CG LEU A 30 0.619 -1.285 -0.272 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.599 -1.654 -1.376 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.157 -2.512 0.186 1.00 0.00 C ATOM 0 H LEU A 30 0.761 2.077 0.841 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.361 -0.323 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.177 -0.049 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.795 -1.441 1.508 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.090 -0.559 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.058 -2.108 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.111 -0.756 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.332 -2.363 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.674 -2.954 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.533 -3.241 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.886 -2.220 0.942 1.00 0.00 H new ATOM 457 N SER A 31 0.758 0.444 4.227 1.00 0.00 N ATOM 458 CA SER A 31 1.432 0.796 5.471 1.00 0.00 C ATOM 459 C SER A 31 1.800 -0.455 6.263 1.00 0.00 C ATOM 460 O SER A 31 1.138 -1.487 6.158 1.00 0.00 O ATOM 461 CB SER A 31 0.541 1.706 6.319 1.00 0.00 C ATOM 462 OG SER A 31 0.160 2.864 5.596 1.00 0.00 O ATOM 0 H SER A 31 -0.167 0.031 4.351 1.00 0.00 H new ATOM 0 HA SER A 31 2.349 1.329 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.349 1.160 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.072 1.998 7.225 1.00 0.00 H new ATOM 0 HG SER A 31 -0.410 3.428 6.159 1.00 0.00 H new ATOM 468 N ASN A 32 2.861 -0.355 7.056 1.00 0.00 N ATOM 469 CA ASN A 32 3.319 -1.478 7.866 1.00 0.00 C ATOM 470 C ASN A 32 3.988 -2.538 6.998 1.00 0.00 C ATOM 471 O ASN A 32 3.733 -3.734 7.151 1.00 0.00 O ATOM 472 CB ASN A 32 2.145 -2.095 8.630 1.00 0.00 C ATOM 473 CG ASN A 32 2.599 -2.950 9.797 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.136 -2.441 10.782 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.386 -4.256 9.692 1.00 0.00 N ATOM 0 H ASN A 32 3.420 0.492 7.155 1.00 0.00 H new ATOM 0 HA ASN A 32 4.052 -1.103 8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.496 -1.300 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.550 -2.703 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.671 -4.881 10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.938 -4.634 8.858 1.00 0.00 H new ATOM 482 N LEU A 33 4.845 -2.093 6.086 1.00 0.00 N ATOM 483 CA LEU A 33 5.552 -3.003 5.191 1.00 0.00 C ATOM 484 C LEU A 33 6.737 -3.653 5.900 1.00 0.00 C ATOM 485 O LEU A 33 7.345 -3.075 6.802 1.00 0.00 O ATOM 486 CB LEU A 33 6.036 -2.255 3.947 1.00 0.00 C ATOM 487 CG LEU A 33 4.949 -1.809 2.968 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.386 -0.559 2.220 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.618 -2.929 1.993 1.00 0.00 C ATOM 0 H LEU A 33 5.067 -1.107 5.947 1.00 0.00 H new ATOM 0 HA LEU A 33 4.858 -3.787 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.590 -1.374 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.738 -2.895 3.413 1.00 0.00 H new ATOM 0 HG LEU A 33 4.049 -1.572 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.600 -0.256 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.572 0.245 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.299 -0.769 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.843 -2.594 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.512 -3.198 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.262 -3.799 2.545 1.00 0.00 H new ATOM 501 N PRO A 34 7.075 -4.882 5.484 1.00 0.00 N ATOM 502 CA PRO A 34 8.190 -5.636 6.064 1.00 0.00 C ATOM 503 C PRO A 34 9.545 -5.035 5.705 1.00 0.00 C ATOM 504 O PRO A 34 9.629 -3.891 5.256 1.00 0.00 O ATOM 505 CB PRO A 34 8.040 -7.027 5.443 1.00 0.00 C ATOM 506 CG PRO A 34 7.314 -6.794 4.163 1.00 0.00 C ATOM 507 CD PRO A 34 6.393 -5.631 4.416 1.00 0.00 C ATOM 0 HA PRO A 34 8.159 -5.636 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.011 -7.490 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.482 -7.695 6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.010 -6.572 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.752 -7.680 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.259 -5.023 3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.403 -5.963 4.727 1.00 0.00 H new ATOM 515 N HIS A 35 10.604 -5.814 5.902 1.00 0.00 N ATOM 516 CA HIS A 35 11.955 -5.358 5.596 1.00 0.00 C ATOM 517 C HIS A 35 12.943 -6.519 5.643 1.00 0.00 C ATOM 518 O HIS A 35 13.904 -6.499 6.412 1.00 0.00 O ATOM 519 CB HIS A 35 12.384 -4.269 6.580 1.00 0.00 C ATOM 520 CG HIS A 35 12.174 -2.879 6.062 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.119 -2.202 5.319 1.00 0.00 N ATOM 522 CD2 HIS A 35 11.120 -2.039 6.182 1.00 0.00 C ATOM 523 CE1 HIS A 35 12.655 -1.005 5.006 1.00 0.00 C ATOM 524 NE2 HIS A 35 11.444 -0.881 5.517 1.00 0.00 N ATOM 0 H HIS A 35 10.553 -6.763 6.272 1.00 0.00 H new ATOM 0 HA HIS A 35 11.953 -4.945 4.587 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.827 -4.390 7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.439 -4.403 6.821 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.033 -2.568 5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.196 -2.241 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.178 -0.256 4.430 1.00 0.00 H new ATOM 532 N SER A 36 12.701 -7.531 4.816 1.00 0.00 N ATOM 533 CA SER A 36 13.567 -8.702 4.766 1.00 0.00 C ATOM 534 C SER A 36 14.496 -8.641 3.557 1.00 0.00 C ATOM 535 O SER A 36 15.015 -9.662 3.107 1.00 0.00 O ATOM 536 CB SER A 36 12.728 -9.981 4.714 1.00 0.00 C ATOM 537 OG SER A 36 13.389 -11.051 5.367 1.00 0.00 O ATOM 0 H SER A 36 11.911 -7.563 4.171 1.00 0.00 H new ATOM 0 HA SER A 36 14.176 -8.711 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.761 -9.805 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.532 -10.250 3.676 1.00 0.00 H new ATOM 0 HG SER A 36 12.832 -11.856 5.321 1.00 0.00 H new ATOM 543 N GLY A 37 14.701 -7.435 3.037 1.00 0.00 N ATOM 544 CA GLY A 37 15.567 -7.261 1.886 1.00 0.00 C ATOM 545 C GLY A 37 14.897 -7.670 0.589 1.00 0.00 C ATOM 546 O GLY A 37 15.516 -8.307 -0.264 1.00 0.00 O ATOM 0 H GLY A 37 14.283 -6.575 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.873 -6.217 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.473 -7.850 2.025 1.00 0.00 H new ATOM 550 N TYR A 38 13.628 -7.307 0.441 1.00 0.00 N ATOM 551 CA TYR A 38 12.872 -7.645 -0.760 1.00 0.00 C ATOM 552 C TYR A 38 13.025 -6.562 -1.824 1.00 0.00 C ATOM 553 O TYR A 38 13.643 -5.524 -1.584 1.00 0.00 O ATOM 554 CB TYR A 38 11.393 -7.834 -0.420 1.00 0.00 C ATOM 555 CG TYR A 38 10.803 -6.691 0.374 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.829 -6.697 1.763 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.219 -5.604 -0.266 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.290 -5.655 2.492 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.679 -4.556 0.456 1.00 0.00 C ATOM 560 CZ TYR A 38 9.716 -4.586 1.833 1.00 0.00 C ATOM 561 OH TYR A 38 9.179 -3.545 2.556 1.00 0.00 O ATOM 0 H TYR A 38 13.101 -6.779 1.137 1.00 0.00 H new ATOM 0 HA TYR A 38 13.270 -8.579 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.829 -7.952 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.274 -8.758 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.278 -7.531 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.187 -5.578 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.317 -5.676 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.230 -3.718 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 38 9.376 -3.671 3.508 1.00 0.00 H new ATOM 571 N SER A 39 12.458 -6.811 -3.000 1.00 0.00 N ATOM 572 CA SER A 39 12.534 -5.859 -4.102 1.00 0.00 C ATOM 573 C SER A 39 11.163 -5.259 -4.397 1.00 0.00 C ATOM 574 O SER A 39 10.132 -5.856 -4.086 1.00 0.00 O ATOM 575 CB SER A 39 13.085 -6.542 -5.355 1.00 0.00 C ATOM 576 OG SER A 39 14.491 -6.384 -5.445 1.00 0.00 O ATOM 0 H SER A 39 11.941 -7.664 -3.214 1.00 0.00 H new ATOM 0 HA SER A 39 13.208 -5.054 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.836 -7.603 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.611 -6.120 -6.241 1.00 0.00 H new ATOM 0 HG SER A 39 14.819 -6.831 -6.253 1.00 0.00 H new ATOM 582 N ASP A 40 11.160 -4.074 -4.998 1.00 0.00 N ATOM 583 CA ASP A 40 9.916 -3.393 -5.336 1.00 0.00 C ATOM 584 C ASP A 40 8.881 -4.380 -5.866 1.00 0.00 C ATOM 585 O ASP A 40 7.753 -4.433 -5.377 1.00 0.00 O ATOM 586 CB ASP A 40 10.175 -2.301 -6.375 1.00 0.00 C ATOM 587 CG ASP A 40 10.534 -2.868 -7.734 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.732 -3.134 -7.968 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.618 -3.045 -8.564 1.00 0.00 O ATOM 0 H ASP A 40 12.004 -3.566 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 40 9.523 -2.936 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.288 -1.675 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.984 -1.658 -6.028 1.00 0.00 H new ATOM 594 N SER A 41 9.273 -5.160 -6.868 1.00 0.00 N ATOM 595 CA SER A 41 8.378 -6.143 -7.467 1.00 0.00 C ATOM 596 C SER A 41 7.631 -6.925 -6.391 1.00 0.00 C ATOM 597 O SER A 41 6.438 -7.197 -6.522 1.00 0.00 O ATOM 598 CB SER A 41 9.167 -7.106 -8.357 1.00 0.00 C ATOM 599 OG SER A 41 10.118 -7.836 -7.603 1.00 0.00 O ATOM 0 H SER A 41 10.205 -5.130 -7.282 1.00 0.00 H new ATOM 0 HA SER A 41 7.649 -5.610 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.481 -7.796 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.674 -6.546 -9.143 1.00 0.00 H new ATOM 0 HG SER A 41 10.607 -8.445 -8.195 1.00 0.00 H new ATOM 605 N ALA A 42 8.342 -7.283 -5.326 1.00 0.00 N ATOM 606 CA ALA A 42 7.748 -8.031 -4.226 1.00 0.00 C ATOM 607 C ALA A 42 6.581 -7.267 -3.611 1.00 0.00 C ATOM 608 O ALA A 42 5.586 -7.861 -3.194 1.00 0.00 O ATOM 609 CB ALA A 42 8.797 -8.338 -3.169 1.00 0.00 C ATOM 0 H ALA A 42 9.331 -7.066 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 42 7.364 -8.971 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.339 -8.897 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.597 -8.932 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.209 -7.405 -2.783 1.00 0.00 H new ATOM 615 N VAL A 43 6.708 -5.944 -3.556 1.00 0.00 N ATOM 616 CA VAL A 43 5.663 -5.098 -2.992 1.00 0.00 C ATOM 617 C VAL A 43 4.510 -4.921 -3.972 1.00 0.00 C ATOM 618 O VAL A 43 3.377 -4.648 -3.573 1.00 0.00 O ATOM 619 CB VAL A 43 6.212 -3.712 -2.605 1.00 0.00 C ATOM 620 CG1 VAL A 43 5.072 -2.732 -2.371 1.00 0.00 C ATOM 621 CG2 VAL A 43 7.098 -3.815 -1.373 1.00 0.00 C ATOM 0 H VAL A 43 7.525 -5.436 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 43 5.299 -5.600 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 43 6.818 -3.337 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.479 -1.758 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.482 -2.636 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.437 -3.098 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.477 -2.826 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.518 -4.211 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.935 -4.481 -1.581 1.00 0.00 H new ATOM 631 N LEU A 44 4.805 -5.077 -5.258 1.00 0.00 N ATOM 632 CA LEU A 44 3.791 -4.934 -6.298 1.00 0.00 C ATOM 633 C LEU A 44 3.132 -6.276 -6.603 1.00 0.00 C ATOM 634 O LEU A 44 2.109 -6.336 -7.286 1.00 0.00 O ATOM 635 CB LEU A 44 4.415 -4.359 -7.570 1.00 0.00 C ATOM 636 CG LEU A 44 5.444 -3.244 -7.369 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.185 -2.961 -8.667 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.768 -1.983 -6.853 1.00 0.00 C ATOM 0 H LEU A 44 5.737 -5.302 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 44 3.026 -4.248 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.893 -5.172 -8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.614 -3.977 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 44 6.169 -3.574 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.912 -2.166 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.701 -3.863 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.473 -2.651 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.514 -1.200 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.021 -1.650 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.284 -2.194 -5.900 1.00 0.00 H new ATOM 650 N LYS A 45 3.723 -7.350 -6.091 1.00 0.00 N ATOM 651 CA LYS A 45 3.192 -8.691 -6.305 1.00 0.00 C ATOM 652 C LYS A 45 1.763 -8.800 -5.781 1.00 0.00 C ATOM 653 O LYS A 45 0.990 -9.645 -6.233 1.00 0.00 O ATOM 654 CB LYS A 45 4.080 -9.729 -5.615 1.00 0.00 C ATOM 655 CG LYS A 45 4.866 -10.596 -6.581 1.00 0.00 C ATOM 656 CD LYS A 45 5.446 -11.818 -5.890 1.00 0.00 C ATOM 657 CE LYS A 45 5.116 -13.096 -6.647 1.00 0.00 C ATOM 658 NZ LYS A 45 4.892 -14.245 -5.726 1.00 0.00 N ATOM 0 H LYS A 45 4.571 -7.318 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 45 3.183 -8.885 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.776 -9.216 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.457 -10.369 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.217 -10.913 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.672 -10.010 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.528 -11.712 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.054 -11.884 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.225 -12.938 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.930 -13.333 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.670 -15.096 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.751 -14.412 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.098 -14.030 -5.089 1.00 0.00 H new ATOM 672 N LEU A 46 1.419 -7.941 -4.830 1.00 0.00 N ATOM 673 CA LEU A 46 0.083 -7.939 -4.246 1.00 0.00 C ATOM 674 C LEU A 46 -0.879 -7.108 -5.089 1.00 0.00 C ATOM 675 O LEU A 46 -2.070 -7.025 -4.789 1.00 0.00 O ATOM 676 CB LEU A 46 0.129 -7.394 -2.817 1.00 0.00 C ATOM 677 CG LEU A 46 1.346 -6.539 -2.464 1.00 0.00 C ATOM 678 CD1 LEU A 46 1.057 -5.678 -1.244 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.563 -7.419 -2.222 1.00 0.00 C ATOM 0 H LEU A 46 2.048 -7.235 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.278 -8.967 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.769 -6.800 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.089 -8.237 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 46 1.560 -5.880 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.934 -5.076 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.212 -5.022 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.817 -6.318 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.420 -6.794 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.360 -8.103 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.782 -7.992 -3.123 1.00 0.00 H new ATOM 691 N ALA A 47 -0.354 -6.497 -6.146 1.00 0.00 N ATOM 692 CA ALA A 47 -1.167 -5.676 -7.035 1.00 0.00 C ATOM 693 C ALA A 47 -0.993 -6.104 -8.489 1.00 0.00 C ATOM 694 O ALA A 47 -1.715 -5.641 -9.371 1.00 0.00 O ATOM 695 CB ALA A 47 -0.809 -4.206 -6.870 1.00 0.00 C ATOM 0 H ALA A 47 0.630 -6.555 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.213 -5.817 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.424 -3.604 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.990 -3.901 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.243 -4.058 -7.113 1.00 0.00 H new ATOM 701 N GLU A 48 -0.031 -6.989 -8.729 1.00 0.00 N ATOM 702 CA GLU A 48 0.237 -7.477 -10.077 1.00 0.00 C ATOM 703 C GLU A 48 -0.979 -8.203 -10.645 1.00 0.00 C ATOM 704 O GLU A 48 -1.549 -7.809 -11.663 1.00 0.00 O ATOM 705 CB GLU A 48 1.447 -8.413 -10.073 1.00 0.00 C ATOM 706 CG GLU A 48 2.650 -7.858 -10.818 1.00 0.00 C ATOM 707 CD GLU A 48 2.776 -8.418 -12.221 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.721 -9.656 -12.372 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.930 -7.618 -13.168 1.00 0.00 O ATOM 0 H GLU A 48 0.575 -7.382 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 48 0.454 -6.617 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.733 -8.619 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.161 -9.365 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.571 -6.772 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.557 -8.085 -10.257 1.00 0.00 H new ATOM 716 N PRO A 49 -1.387 -9.288 -9.972 1.00 0.00 N ATOM 717 CA PRO A 49 -2.539 -10.093 -10.390 1.00 0.00 C ATOM 718 C PRO A 49 -3.861 -9.356 -10.197 1.00 0.00 C ATOM 719 O PRO A 49 -4.932 -9.908 -10.450 1.00 0.00 O ATOM 720 CB PRO A 49 -2.470 -11.317 -9.473 1.00 0.00 C ATOM 721 CG PRO A 49 -1.740 -10.842 -8.263 1.00 0.00 C ATOM 722 CD PRO A 49 -0.756 -9.815 -8.750 1.00 0.00 C ATOM 0 HA PRO A 49 -2.502 -10.337 -11.452 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.467 -11.678 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.945 -12.143 -9.953 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.428 -10.410 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.229 -11.667 -7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.595 -9.030 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.217 -10.259 -8.960 1.00 0.00 H new ATOM 730 N TYR A 50 -3.777 -8.108 -9.749 1.00 0.00 N ATOM 731 CA TYR A 50 -4.967 -7.298 -9.521 1.00 0.00 C ATOM 732 C TYR A 50 -5.215 -6.352 -10.692 1.00 0.00 C ATOM 733 O TYR A 50 -6.358 -6.095 -11.066 1.00 0.00 O ATOM 734 CB TYR A 50 -4.823 -6.496 -8.226 1.00 0.00 C ATOM 735 CG TYR A 50 -4.989 -7.330 -6.976 1.00 0.00 C ATOM 736 CD1 TYR A 50 -3.898 -7.960 -6.388 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.235 -7.491 -6.384 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.045 -8.723 -5.246 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.392 -8.251 -5.241 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.294 -8.866 -4.677 1.00 0.00 C ATOM 741 OH TYR A 50 -5.445 -9.626 -3.539 1.00 0.00 O ATOM 0 H TYR A 50 -2.898 -7.636 -9.537 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.821 -7.970 -9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.841 -6.022 -8.209 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.563 -5.696 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.919 -7.851 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.097 -7.013 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.187 -9.205 -4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.368 -8.363 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.386 -9.624 -3.267 1.00 0.00 H new ATOM 751 N GLY A 51 -4.132 -5.837 -11.268 1.00 0.00 N ATOM 752 CA GLY A 51 -4.252 -4.927 -12.392 1.00 0.00 C ATOM 753 C GLY A 51 -2.905 -4.456 -12.903 1.00 0.00 C ATOM 754 O GLY A 51 -1.874 -4.700 -12.274 1.00 0.00 O ATOM 0 H GLY A 51 -3.175 -6.034 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.791 -5.422 -13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.846 -4.063 -12.094 1.00 0.00 H new ATOM 758 N LYS A 52 -2.910 -3.780 -14.046 1.00 0.00 N ATOM 759 CA LYS A 52 -1.679 -3.274 -14.643 1.00 0.00 C ATOM 760 C LYS A 52 -1.085 -2.154 -13.794 1.00 0.00 C ATOM 761 O LYS A 52 -1.707 -1.109 -13.605 1.00 0.00 O ATOM 762 CB LYS A 52 -1.947 -2.766 -16.061 1.00 0.00 C ATOM 763 CG LYS A 52 -1.621 -3.781 -17.143 1.00 0.00 C ATOM 764 CD LYS A 52 -0.813 -3.157 -18.268 1.00 0.00 C ATOM 765 CE LYS A 52 -0.993 -3.919 -19.572 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.050 -3.448 -20.623 1.00 0.00 N ATOM 0 H LYS A 52 -3.754 -3.569 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.962 -4.093 -14.687 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.996 -2.483 -16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.359 -1.864 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.062 -4.610 -16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.546 -4.196 -17.545 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.120 -2.120 -18.406 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.242 -3.144 -17.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.838 -4.983 -19.395 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.018 -3.800 -19.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.204 -3.991 -21.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.215 -2.438 -20.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.928 -3.585 -20.298 1.00 0.00 H new ATOM 780 N ILE A 53 0.123 -2.380 -13.288 1.00 0.00 N ATOM 781 CA ILE A 53 0.801 -1.388 -12.463 1.00 0.00 C ATOM 782 C ILE A 53 1.255 -0.195 -13.297 1.00 0.00 C ATOM 783 O ILE A 53 2.326 -0.218 -13.902 1.00 0.00 O ATOM 784 CB ILE A 53 2.024 -1.994 -11.746 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.575 -3.020 -10.704 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.852 -0.897 -11.094 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.610 -4.085 -10.420 1.00 0.00 C ATOM 0 H ILE A 53 0.651 -3.240 -13.435 1.00 0.00 H new ATOM 0 HA ILE A 53 0.080 -1.053 -11.717 1.00 0.00 H new ATOM 0 HB ILE A 53 2.645 -2.502 -12.484 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.335 -2.502 -9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.658 -3.498 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.712 -1.340 -10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.197 -0.199 -11.857 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.241 -0.364 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.224 -4.778 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.833 -4.629 -11.338 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.520 -3.617 -10.045 1.00 0.00 H new ATOM 799 N LYS A 54 0.432 0.848 -13.324 1.00 0.00 N ATOM 800 CA LYS A 54 0.748 2.052 -14.081 1.00 0.00 C ATOM 801 C LYS A 54 1.849 2.854 -13.394 1.00 0.00 C ATOM 802 O LYS A 54 2.571 3.613 -14.039 1.00 0.00 O ATOM 803 CB LYS A 54 -0.502 2.920 -14.245 1.00 0.00 C ATOM 804 CG LYS A 54 -1.036 2.956 -15.666 1.00 0.00 C ATOM 805 CD LYS A 54 -1.588 1.605 -16.089 1.00 0.00 C ATOM 806 CE LYS A 54 -0.781 1.008 -17.233 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.127 1.632 -18.539 1.00 0.00 N ATOM 0 H LYS A 54 -0.459 0.883 -12.830 1.00 0.00 H new ATOM 0 HA LYS A 54 1.104 1.748 -15.065 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.283 2.547 -13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.272 3.937 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.819 3.710 -15.742 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.239 3.254 -16.348 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.576 0.923 -15.239 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.629 1.715 -16.395 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.283 1.143 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.962 -0.066 -17.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.556 1.199 -19.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.136 1.482 -18.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.930 2.652 -18.499 1.00 0.00 H new ATOM 821 N ASN A 55 1.972 2.678 -12.083 1.00 0.00 N ATOM 822 CA ASN A 55 2.986 3.384 -11.309 1.00 0.00 C ATOM 823 C ASN A 55 3.031 2.869 -9.873 1.00 0.00 C ATOM 824 O ASN A 55 2.035 2.371 -9.350 1.00 0.00 O ATOM 825 CB ASN A 55 2.707 4.888 -11.314 1.00 0.00 C ATOM 826 CG ASN A 55 3.974 5.712 -11.436 1.00 0.00 C ATOM 827 OD1 ASN A 55 5.067 5.169 -11.598 1.00 0.00 O ATOM 828 ND2 ASN A 55 3.833 7.030 -11.358 1.00 0.00 N ATOM 0 H ASN A 55 1.382 2.053 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 55 3.955 3.200 -11.773 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.040 5.128 -12.142 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.187 5.161 -10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.650 7.636 -11.433 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.907 7.437 -11.223 1.00 0.00 H new ATOM 835 N TYR A 56 4.194 2.995 -9.241 1.00 0.00 N ATOM 836 CA TYR A 56 4.370 2.542 -7.867 1.00 0.00 C ATOM 837 C TYR A 56 5.382 3.414 -7.131 1.00 0.00 C ATOM 838 O TYR A 56 6.199 4.094 -7.751 1.00 0.00 O ATOM 839 CB TYR A 56 4.825 1.082 -7.844 1.00 0.00 C ATOM 840 CG TYR A 56 6.312 0.907 -8.061 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.846 0.867 -9.342 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.181 0.784 -6.985 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.203 0.707 -9.546 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.540 0.626 -7.178 1.00 0.00 C ATOM 845 CZ TYR A 56 9.046 0.588 -8.460 1.00 0.00 C ATOM 846 OH TYR A 56 10.398 0.429 -8.657 1.00 0.00 O ATOM 0 H TYR A 56 5.028 3.407 -9.659 1.00 0.00 H new ATOM 0 HA TYR A 56 3.410 2.624 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.552 0.640 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.287 0.530 -8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.189 0.963 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.788 0.812 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.602 0.675 -10.549 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.202 0.533 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 56 10.849 0.362 -7.790 1.00 0.00 H new ATOM 856 N ILE A 57 5.320 3.387 -5.804 1.00 0.00 N ATOM 857 CA ILE A 57 6.232 4.174 -4.982 1.00 0.00 C ATOM 858 C ILE A 57 6.675 3.392 -3.750 1.00 0.00 C ATOM 859 O ILE A 57 5.859 3.043 -2.895 1.00 0.00 O ATOM 860 CB ILE A 57 5.585 5.496 -4.531 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.575 6.503 -5.683 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.326 6.066 -3.330 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.835 7.335 -5.770 1.00 0.00 C ATOM 0 H ILE A 57 4.649 2.830 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 57 7.101 4.397 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 57 4.554 5.297 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.438 5.967 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.718 7.167 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.857 7.001 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.287 5.353 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.365 6.253 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.757 8.026 -6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.963 7.899 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.694 6.680 -5.918 1.00 0.00 H new ATOM 875 N LEU A 58 7.973 3.120 -3.664 1.00 0.00 N ATOM 876 CA LEU A 58 8.526 2.381 -2.534 1.00 0.00 C ATOM 877 C LEU A 58 9.249 3.317 -1.571 1.00 0.00 C ATOM 878 O LEU A 58 10.409 3.668 -1.785 1.00 0.00 O ATOM 879 CB LEU A 58 9.487 1.299 -3.029 1.00 0.00 C ATOM 880 CG LEU A 58 9.115 -0.142 -2.678 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.084 -0.333 -1.169 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.772 -0.511 -3.291 1.00 0.00 C ATOM 0 H LEU A 58 8.661 3.400 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 58 7.700 1.910 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.565 1.379 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.477 1.507 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 58 9.875 -0.804 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.817 -1.364 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.067 -0.111 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.345 0.339 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.524 -1.540 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.001 0.157 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.828 -0.415 -4.375 1.00 0.00 H new ATOM 894 N MET A 59 8.556 3.716 -0.509 1.00 0.00 N ATOM 895 CA MET A 59 9.133 4.609 0.487 1.00 0.00 C ATOM 896 C MET A 59 9.622 3.826 1.702 1.00 0.00 C ATOM 897 O MET A 59 8.829 3.199 2.407 1.00 0.00 O ATOM 898 CB MET A 59 8.107 5.657 0.921 1.00 0.00 C ATOM 899 CG MET A 59 7.589 6.510 -0.225 1.00 0.00 C ATOM 900 SD MET A 59 7.166 8.185 0.293 1.00 0.00 S ATOM 901 CE MET A 59 5.845 8.571 -0.855 1.00 0.00 C ATOM 0 H MET A 59 7.595 3.435 -0.317 1.00 0.00 H new ATOM 0 HA MET A 59 9.987 5.113 0.034 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.266 5.154 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.558 6.306 1.672 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.345 6.556 -1.009 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.709 6.034 -0.658 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.196 9.331 -0.421 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.270 8.946 -1.786 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.264 7.671 -1.057 1.00 0.00 H new ATOM 911 N ARG A 60 10.928 3.864 1.940 1.00 0.00 N ATOM 912 CA ARG A 60 11.520 3.156 3.069 1.00 0.00 C ATOM 913 C ARG A 60 11.560 4.045 4.309 1.00 0.00 C ATOM 914 O ARG A 60 11.795 3.568 5.418 1.00 0.00 O ATOM 915 CB ARG A 60 12.934 2.686 2.719 1.00 0.00 C ATOM 916 CG ARG A 60 13.942 3.819 2.612 1.00 0.00 C ATOM 917 CD ARG A 60 15.322 3.301 2.237 1.00 0.00 C ATOM 918 NE ARG A 60 16.227 3.277 3.383 1.00 0.00 N ATOM 919 CZ ARG A 60 17.393 2.639 3.386 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.792 1.978 2.307 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.161 2.662 4.466 1.00 0.00 N ATOM 0 H ARG A 60 11.597 4.377 1.366 1.00 0.00 H new ATOM 0 HA ARG A 60 10.899 2.287 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.272 1.981 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.905 2.146 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.606 4.537 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.997 4.350 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.232 2.296 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.745 3.930 1.454 1.00 0.00 H new ATOM 0 HE ARG A 60 15.949 3.777 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.204 1.959 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.687 1.489 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.858 3.170 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.055 2.172 4.466 1.00 0.00 H new ATOM 935 N MET A 61 11.329 5.339 4.110 1.00 0.00 N ATOM 936 CA MET A 61 11.338 6.294 5.211 1.00 0.00 C ATOM 937 C MET A 61 10.522 5.772 6.391 1.00 0.00 C ATOM 938 O MET A 61 11.063 5.511 7.466 1.00 0.00 O ATOM 939 CB MET A 61 10.783 7.642 4.750 1.00 0.00 C ATOM 940 CG MET A 61 11.644 8.826 5.161 1.00 0.00 C ATOM 941 SD MET A 61 13.161 8.951 4.195 1.00 0.00 S ATOM 942 CE MET A 61 14.247 9.751 5.373 1.00 0.00 C ATOM 0 H MET A 61 11.133 5.749 3.197 1.00 0.00 H new ATOM 0 HA MET A 61 12.370 6.426 5.535 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.685 7.634 3.664 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.781 7.772 5.159 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.069 9.745 5.047 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.897 8.737 6.217 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.228 9.898 4.922 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.829 10.717 5.655 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.346 9.125 6.260 1.00 0.00 H new ATOM 952 N LYS A 62 9.219 5.622 6.182 1.00 0.00 N ATOM 953 CA LYS A 62 8.327 5.130 7.226 1.00 0.00 C ATOM 954 C LYS A 62 7.740 3.774 6.847 1.00 0.00 C ATOM 955 O LYS A 62 6.651 3.413 7.291 1.00 0.00 O ATOM 956 CB LYS A 62 7.200 6.133 7.478 1.00 0.00 C ATOM 957 CG LYS A 62 7.649 7.378 8.225 1.00 0.00 C ATOM 958 CD LYS A 62 7.830 8.558 7.285 1.00 0.00 C ATOM 959 CE LYS A 62 6.922 9.717 7.666 1.00 0.00 C ATOM 960 NZ LYS A 62 7.520 10.564 8.735 1.00 0.00 N ATOM 0 H LYS A 62 8.756 5.834 5.298 1.00 0.00 H new ATOM 0 HA LYS A 62 8.910 5.011 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.768 6.429 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.410 5.643 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.914 7.630 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.588 7.175 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.869 8.886 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.615 8.247 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.726 10.329 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.961 9.329 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.870 11.342 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.684 9.987 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.424 10.955 8.403 1.00 0.00 H new ATOM 974 N SER A 63 8.470 3.029 6.023 1.00 0.00 N ATOM 975 CA SER A 63 8.019 1.714 5.581 1.00 0.00 C ATOM 976 C SER A 63 6.641 1.801 4.933 1.00 0.00 C ATOM 977 O SER A 63 5.703 1.125 5.354 1.00 0.00 O ATOM 978 CB SER A 63 7.980 0.742 6.762 1.00 0.00 C ATOM 979 OG SER A 63 9.223 0.079 6.919 1.00 0.00 O ATOM 0 H SER A 63 9.375 3.313 5.648 1.00 0.00 H new ATOM 0 HA SER A 63 8.727 1.345 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.736 1.284 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.190 0.008 6.606 1.00 0.00 H new ATOM 0 HG SER A 63 9.687 0.045 6.056 1.00 0.00 H new ATOM 985 N GLN A 64 6.527 2.638 3.908 1.00 0.00 N ATOM 986 CA GLN A 64 5.264 2.814 3.202 1.00 0.00 C ATOM 987 C GLN A 64 5.475 2.791 1.692 1.00 0.00 C ATOM 988 O GLN A 64 6.590 2.993 1.209 1.00 0.00 O ATOM 989 CB GLN A 64 4.604 4.131 3.615 1.00 0.00 C ATOM 990 CG GLN A 64 4.619 4.374 5.116 1.00 0.00 C ATOM 991 CD GLN A 64 3.748 5.545 5.526 1.00 0.00 C ATOM 992 OE1 GLN A 64 3.049 6.134 4.700 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.785 5.890 6.808 1.00 0.00 N ATOM 0 H GLN A 64 7.294 3.205 3.548 1.00 0.00 H new ATOM 0 HA GLN A 64 4.609 1.986 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.114 4.955 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.572 4.136 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.278 3.475 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.643 4.557 5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.378 5.374 7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.220 6.671 7.143 1.00 0.00 H new ATOM 1002 N ALA A 65 4.400 2.542 0.952 1.00 0.00 N ATOM 1003 CA ALA A 65 4.468 2.493 -0.503 1.00 0.00 C ATOM 1004 C ALA A 65 3.095 2.723 -1.125 1.00 0.00 C ATOM 1005 O ALA A 65 2.069 2.405 -0.523 1.00 0.00 O ATOM 1006 CB ALA A 65 5.041 1.160 -0.960 1.00 0.00 C ATOM 0 H ALA A 65 3.471 2.371 1.337 1.00 0.00 H new ATOM 0 HA ALA A 65 5.128 3.293 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.086 1.137 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.044 1.037 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.404 0.350 -0.606 1.00 0.00 H new ATOM 1012 N PHE A 66 3.083 3.276 -2.333 1.00 0.00 N ATOM 1013 CA PHE A 66 1.835 3.549 -3.036 1.00 0.00 C ATOM 1014 C PHE A 66 1.834 2.900 -4.416 1.00 0.00 C ATOM 1015 O PHE A 66 2.687 3.196 -5.254 1.00 0.00 O ATOM 1016 CB PHE A 66 1.619 5.058 -3.169 1.00 0.00 C ATOM 1017 CG PHE A 66 1.562 5.775 -1.850 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.380 5.834 -1.131 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.691 6.389 -1.331 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.324 6.494 0.083 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.641 7.049 -0.118 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.456 7.101 0.590 1.00 0.00 C ATOM 0 H PHE A 66 3.923 3.544 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 66 1.019 3.122 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.425 5.481 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.691 5.238 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.508 5.359 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.620 6.351 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.604 6.535 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.527 7.524 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.415 7.616 1.539 1.00 0.00 H new ATOM 1032 N ILE A 67 0.872 2.012 -4.646 1.00 0.00 N ATOM 1033 CA ILE A 67 0.761 1.322 -5.924 1.00 0.00 C ATOM 1034 C ILE A 67 -0.461 1.800 -6.703 1.00 0.00 C ATOM 1035 O ILE A 67 -1.598 1.540 -6.313 1.00 0.00 O ATOM 1036 CB ILE A 67 0.667 -0.204 -5.734 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.938 -0.734 -5.064 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.440 -0.892 -7.071 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.910 -2.225 -4.813 1.00 0.00 C ATOM 0 H ILE A 67 0.159 1.754 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 67 1.664 1.556 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.182 -0.424 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.797 -0.495 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.082 -0.216 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.376 -1.970 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.489 -0.532 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.270 -0.669 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.841 -2.531 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.071 -2.468 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.797 -2.751 -5.761 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.215 2.499 -7.807 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.295 3.013 -8.641 1.00 0.00 C ATOM 1053 C GLU A 68 -1.748 1.963 -9.652 1.00 0.00 C ATOM 1054 O GLU A 68 -1.054 1.688 -10.631 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.846 4.280 -9.372 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.923 4.886 -10.257 1.00 0.00 C ATOM 1057 CD GLU A 68 -2.026 6.390 -10.102 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -2.802 6.845 -9.235 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.332 7.113 -10.846 1.00 0.00 O ATOM 0 H GLU A 68 0.722 2.722 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.137 3.255 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.532 5.021 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.026 4.047 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.710 4.645 -11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.884 4.433 -10.015 1.00 0.00 H new ATOM 1066 N MET A 69 -2.917 1.380 -9.408 1.00 0.00 N ATOM 1067 CA MET A 69 -3.463 0.361 -10.296 1.00 0.00 C ATOM 1068 C MET A 69 -3.875 0.969 -11.633 1.00 0.00 C ATOM 1069 O MET A 69 -3.943 2.190 -11.774 1.00 0.00 O ATOM 1070 CB MET A 69 -4.665 -0.325 -9.643 1.00 0.00 C ATOM 1071 CG MET A 69 -4.322 -1.053 -8.354 1.00 0.00 C ATOM 1072 SD MET A 69 -4.784 -2.796 -8.396 1.00 0.00 S ATOM 1073 CE MET A 69 -3.547 -3.447 -9.516 1.00 0.00 C ATOM 0 H MET A 69 -3.504 1.596 -8.603 1.00 0.00 H new ATOM 0 HA MET A 69 -2.685 -0.381 -10.478 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.431 0.422 -9.436 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.095 -1.036 -10.349 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.251 -0.969 -8.168 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.829 -0.567 -7.521 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.644 -4.531 -9.575 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.690 -3.015 -10.507 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.553 -3.192 -9.149 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.149 0.111 -12.610 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.554 0.567 -13.935 1.00 0.00 C ATOM 1085 C GLU A 70 -5.973 1.125 -13.908 1.00 0.00 C ATOM 1086 O GLU A 70 -6.260 2.155 -14.521 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.464 -0.582 -14.942 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.782 -0.166 -16.369 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.289 -1.319 -17.213 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.275 -1.966 -16.805 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.697 -1.574 -18.284 1.00 0.00 O ATOM 0 H GLU A 70 -4.098 -0.903 -12.510 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.876 1.363 -14.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.459 -1.004 -14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.151 -1.373 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.531 0.626 -16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.887 0.251 -16.830 1.00 0.00 H new ATOM 1098 N THR A 71 -6.860 0.439 -13.194 1.00 0.00 N ATOM 1099 CA THR A 71 -8.250 0.864 -13.089 1.00 0.00 C ATOM 1100 C THR A 71 -8.711 0.881 -11.635 1.00 0.00 C ATOM 1101 O THR A 71 -8.025 0.368 -10.751 1.00 0.00 O ATOM 1102 CB THR A 71 -9.182 -0.055 -13.900 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.513 -1.218 -13.133 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.524 -0.474 -15.207 1.00 0.00 C ATOM 0 H THR A 71 -6.640 -0.414 -12.680 1.00 0.00 H new ATOM 0 HA THR A 71 -8.303 1.873 -13.497 1.00 0.00 H new ATOM 0 HB THR A 71 -10.092 0.499 -14.130 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.745 -1.826 -13.112 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.201 -1.123 -15.763 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.300 0.412 -15.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.600 -1.011 -14.993 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.876 1.473 -11.396 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.428 1.557 -10.049 1.00 0.00 C ATOM 1114 C ARG A 72 -10.962 0.202 -9.596 1.00 0.00 C ATOM 1115 O ARG A 72 -11.020 -0.085 -8.400 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.545 2.601 -9.996 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.049 2.883 -8.591 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.512 4.325 -8.444 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.918 4.412 -8.058 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.444 5.456 -7.429 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -13.684 6.498 -7.118 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.732 5.461 -7.111 1.00 0.00 N ATOM 0 H ARG A 72 -10.456 1.902 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.627 1.858 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.183 3.530 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.379 2.260 -10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.873 2.209 -8.357 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.256 2.679 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.899 4.828 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.362 4.852 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.529 3.627 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.694 6.498 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.090 7.299 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.319 4.662 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.135 6.264 -6.628 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.353 -0.628 -10.559 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.884 -1.951 -10.257 1.00 0.00 C ATOM 1138 C GLU A 73 -10.829 -2.819 -9.575 1.00 0.00 C ATOM 1139 O GLU A 73 -11.119 -3.518 -8.605 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.370 -2.634 -11.537 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.800 -2.280 -11.910 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.786 -3.372 -11.545 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.386 -4.555 -11.540 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.957 -3.044 -11.262 1.00 0.00 O ATOM 0 H GLU A 73 -11.312 -0.407 -11.554 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.726 -1.829 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.710 -2.358 -12.359 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.292 -3.714 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.084 -1.356 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.855 -2.089 -12.982 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.606 -2.765 -10.089 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.507 -3.544 -9.530 1.00 0.00 C ATOM 1153 C ASP A 74 -8.098 -3.006 -8.163 1.00 0.00 C ATOM 1154 O ASP A 74 -8.155 -3.719 -7.161 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.306 -3.527 -10.478 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.651 -4.047 -11.859 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.495 -4.964 -11.954 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -7.077 -3.540 -12.846 1.00 0.00 O ATOM 0 H ASP A 74 -9.350 -2.190 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.850 -4.572 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.927 -2.508 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.504 -4.132 -10.055 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.688 -1.742 -8.129 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.272 -1.108 -6.885 1.00 0.00 C ATOM 1165 C ALA A 75 -8.288 -1.357 -5.775 1.00 0.00 C ATOM 1166 O ALA A 75 -7.932 -1.809 -4.686 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.073 0.387 -7.095 1.00 0.00 C ATOM 0 H ALA A 75 -7.635 -1.138 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.324 -1.551 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.762 0.848 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.305 0.549 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.009 0.836 -7.427 1.00 0.00 H new ATOM 1173 N MET A 76 -9.551 -1.059 -6.057 1.00 0.00 N ATOM 1174 CA MET A 76 -10.618 -1.252 -5.082 1.00 0.00 C ATOM 1175 C MET A 76 -10.689 -2.709 -4.635 1.00 0.00 C ATOM 1176 O MET A 76 -10.954 -2.998 -3.468 1.00 0.00 O ATOM 1177 CB MET A 76 -11.962 -0.821 -5.672 1.00 0.00 C ATOM 1178 CG MET A 76 -12.022 0.654 -6.032 1.00 0.00 C ATOM 1179 SD MET A 76 -12.951 1.625 -4.829 1.00 0.00 S ATOM 1180 CE MET A 76 -11.934 3.095 -4.722 1.00 0.00 C ATOM 0 H MET A 76 -9.861 -0.683 -6.953 1.00 0.00 H new ATOM 0 HA MET A 76 -10.397 -0.634 -4.212 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.164 -1.413 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.752 -1.044 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.008 1.048 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.480 0.766 -7.015 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.630 3.252 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.049 2.971 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.504 3.958 -5.068 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.451 -3.622 -5.570 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.486 -5.049 -5.272 1.00 0.00 C ATOM 1192 C ALA A 77 -9.432 -5.419 -4.235 1.00 0.00 C ATOM 1193 O ALA A 77 -9.675 -6.244 -3.356 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.286 -5.858 -6.545 1.00 0.00 C ATOM 0 H ALA A 77 -10.232 -3.399 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.465 -5.285 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.314 -6.922 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.080 -5.623 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.320 -5.610 -6.986 1.00 0.00 H new ATOM 1200 N MET A 78 -8.259 -4.804 -4.346 1.00 0.00 N ATOM 1201 CA MET A 78 -7.167 -5.070 -3.417 1.00 0.00 C ATOM 1202 C MET A 78 -7.529 -4.614 -2.007 1.00 0.00 C ATOM 1203 O MET A 78 -7.631 -5.426 -1.088 1.00 0.00 O ATOM 1204 CB MET A 78 -5.890 -4.365 -3.881 1.00 0.00 C ATOM 1205 CG MET A 78 -4.616 -5.003 -3.352 1.00 0.00 C ATOM 1206 SD MET A 78 -3.138 -4.404 -4.192 1.00 0.00 S ATOM 1207 CE MET A 78 -1.903 -4.645 -2.917 1.00 0.00 C ATOM 0 H MET A 78 -8.041 -4.119 -5.069 1.00 0.00 H new ATOM 0 HA MET A 78 -6.993 -6.146 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.861 -4.364 -4.971 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.924 -3.323 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.529 -4.801 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.681 -6.085 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.940 -4.861 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.821 -3.741 -2.314 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.195 -5.480 -2.281 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.721 -3.308 -1.844 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.074 -2.744 -0.546 1.00 0.00 C ATOM 1219 C VAL A 79 -9.217 -3.519 0.098 1.00 0.00 C ATOM 1220 O VAL A 79 -9.336 -3.568 1.322 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.476 -1.262 -0.669 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.418 -0.483 -1.436 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.835 -1.133 -1.340 1.00 0.00 C ATOM 0 H VAL A 79 -7.638 -2.622 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.188 -2.821 0.084 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.549 -0.839 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.720 0.562 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.466 -0.548 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.310 -0.904 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.103 -0.079 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.792 -1.572 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.585 -1.655 -0.746 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.059 -4.122 -0.735 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.194 -4.896 -0.247 1.00 0.00 C ATOM 1235 C ASP A 80 -10.754 -6.290 0.187 1.00 0.00 C ATOM 1236 O ASP A 80 -11.122 -6.763 1.264 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.270 -5.001 -1.329 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.672 -4.878 -0.765 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.838 -5.065 0.458 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.604 -4.596 -1.547 1.00 0.00 O ATOM 0 H ASP A 80 -9.976 -4.089 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.609 -4.380 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.111 -4.220 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.171 -5.957 -1.844 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.964 -6.946 -0.657 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.476 -8.289 -0.361 1.00 0.00 C ATOM 1247 C HIS A 81 -8.732 -8.313 0.971 1.00 0.00 C ATOM 1248 O HIS A 81 -8.486 -9.380 1.536 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.555 -8.777 -1.479 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.942 -10.115 -2.032 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.655 -11.304 -1.394 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.599 -10.448 -3.168 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -9.117 -12.309 -2.115 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.695 -11.817 -3.196 1.00 0.00 N ATOM 0 H HIS A 81 -9.648 -6.570 -1.551 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.336 -8.955 -0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.557 -8.045 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.534 -8.831 -1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.977 -9.764 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.036 -13.356 -1.863 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.140 -12.365 -3.932 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.377 -7.133 1.468 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.661 -7.019 2.733 1.00 0.00 C ATOM 1264 C CYS A 82 -8.634 -6.853 3.896 1.00 0.00 C ATOM 1265 O CYS A 82 -8.314 -7.184 5.039 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.691 -5.837 2.690 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.131 -5.283 4.317 1.00 0.00 S ATOM 0 H CYS A 82 -8.574 -6.241 1.013 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.095 -7.938 2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.822 -6.115 2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.173 -5.003 2.180 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.806 -5.900 5.241 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.821 -6.339 3.598 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.841 -6.126 4.619 1.00 0.00 C ATOM 1275 C LEU A 83 -11.389 -7.457 5.126 1.00 0.00 C ATOM 1276 O LEU A 83 -11.391 -7.722 6.329 1.00 0.00 O ATOM 1277 CB LEU A 83 -11.980 -5.273 4.059 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.644 -3.808 3.777 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.697 -3.183 2.874 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.523 -3.027 5.076 1.00 0.00 C ATOM 0 H LEU A 83 -10.102 -6.062 2.657 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.380 -5.601 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.328 -5.730 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.812 -5.305 4.763 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.683 -3.769 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.441 -2.141 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.734 -3.725 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.671 -3.235 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.284 -1.987 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.467 -3.074 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.731 -3.459 5.688 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.851 -8.291 4.201 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.398 -9.596 4.552 1.00 0.00 C ATOM 1294 C LYS A 84 -11.302 -10.528 5.058 1.00 0.00 C ATOM 1295 O LYS A 84 -11.488 -11.249 6.039 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.097 -10.221 3.343 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.304 -9.434 2.862 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.974 -8.603 1.633 1.00 0.00 C ATOM 1299 CE LYS A 84 -13.941 -9.458 0.375 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.943 -8.626 -0.860 1.00 0.00 N ATOM 0 H LYS A 84 -11.858 -8.086 3.202 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.126 -9.454 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.381 -10.308 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.412 -11.232 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.118 -10.120 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.655 -8.781 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.715 -7.812 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.008 -8.117 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.052 -10.088 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.804 -10.124 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.920 -9.245 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.804 -8.043 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.106 -8.008 -0.864 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.158 -10.508 4.384 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.029 -11.349 4.765 1.00 0.00 C ATOM 1316 C LYS A 85 -7.779 -10.508 4.998 1.00 0.00 C ATOM 1317 O LYS A 85 -7.606 -9.451 4.390 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.758 -12.397 3.682 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.656 -13.376 4.047 1.00 0.00 C ATOM 1320 CD LYS A 85 -8.103 -14.815 3.850 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.087 -15.796 4.417 1.00 0.00 C ATOM 1322 NZ LYS A 85 -7.469 -16.263 5.779 1.00 0.00 N ATOM 0 H LYS A 85 -9.987 -9.918 3.570 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.283 -11.856 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.676 -12.952 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.490 -11.889 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.776 -13.180 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.362 -13.224 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.067 -14.967 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.246 -15.011 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.999 -16.654 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.107 -15.321 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.752 -16.929 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.529 -15.447 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.393 -16.739 5.736 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.907 -10.983 5.882 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.671 -10.276 6.193 1.00 0.00 C ATOM 1338 C ALA A 86 -4.618 -10.514 5.116 1.00 0.00 C ATOM 1339 O ALA A 86 -4.168 -11.642 4.911 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.144 -10.708 7.553 1.00 0.00 C ATOM 0 H ALA A 86 -7.034 -11.855 6.395 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.889 -9.208 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.221 -10.172 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.886 -10.482 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.948 -11.780 7.543 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.228 -9.444 4.431 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.227 -9.536 3.373 1.00 0.00 C ATOM 1348 C LEU A 87 -1.822 -9.620 3.960 1.00 0.00 C ATOM 1349 O LEU A 87 -1.406 -8.752 4.728 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.331 -8.330 2.439 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.798 -8.532 1.019 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.626 -7.737 0.022 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.332 -8.132 0.939 1.00 0.00 C ATOM 0 H LEU A 87 -4.589 -8.503 4.589 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.418 -10.445 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.378 -8.035 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.793 -7.497 2.892 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.879 -9.589 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.233 -7.892 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.663 -8.071 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.576 -6.677 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.969 -8.282 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.226 -7.082 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.749 -8.745 1.626 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.094 -10.669 3.591 1.00 0.00 N ATOM 1366 CA TRP A 88 0.266 -10.864 4.080 1.00 0.00 C ATOM 1367 C TRP A 88 1.267 -10.826 2.931 1.00 0.00 C ATOM 1368 O TRP A 88 1.215 -11.653 2.021 1.00 0.00 O ATOM 1369 CB TRP A 88 0.376 -12.196 4.824 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.526 -12.285 6.018 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.817 -12.729 6.039 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.202 -11.921 7.365 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.316 -12.660 7.317 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.345 -12.170 8.149 1.00 0.00 C ATOM 1375 CE3 TRP A 88 0.942 -11.411 7.984 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -1.376 -11.924 9.519 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 0.910 -11.167 9.344 1.00 0.00 C ATOM 1378 CH2 TRP A 88 -0.241 -11.425 10.100 1.00 0.00 C ATOM 0 H TRP A 88 -1.423 -11.396 2.956 1.00 0.00 H new ATOM 0 HA TRP A 88 0.499 -10.051 4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 88 0.139 -13.008 4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.408 -12.341 5.145 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.365 -13.082 5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.258 -12.930 7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.835 -11.211 7.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.263 -12.120 10.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.788 -10.770 9.833 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.233 -11.226 11.162 1.00 0.00 H new ATOM 1389 N PHE A 89 2.180 -9.860 2.979 1.00 0.00 N ATOM 1390 CA PHE A 89 3.193 -9.714 1.940 1.00 0.00 C ATOM 1391 C PHE A 89 4.380 -10.636 2.205 1.00 0.00 C ATOM 1392 O PHE A 89 4.715 -11.485 1.380 1.00 0.00 O ATOM 1393 CB PHE A 89 3.668 -8.262 1.863 1.00 0.00 C ATOM 1394 CG PHE A 89 4.955 -8.092 1.106 1.00 0.00 C ATOM 1395 CD1 PHE A 89 5.323 -9.001 0.127 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.794 -7.023 1.373 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.506 -8.847 -0.570 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.979 -6.864 0.679 1.00 0.00 C ATOM 1399 CZ PHE A 89 7.334 -7.776 -0.295 1.00 0.00 C ATOM 0 H PHE A 89 2.239 -9.168 3.726 1.00 0.00 H new ATOM 0 HA PHE A 89 2.744 -9.993 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.894 -7.659 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.797 -7.876 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.678 -9.839 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.519 -6.305 2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.783 -9.563 -1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.626 -6.028 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.258 -7.652 -0.841 1.00 0.00 H new ATOM 1409 N GLN A 90 5.011 -10.462 3.362 1.00 0.00 N ATOM 1410 CA GLN A 90 6.161 -11.277 3.734 1.00 0.00 C ATOM 1411 C GLN A 90 6.168 -11.554 5.234 1.00 0.00 C ATOM 1412 O GLN A 90 7.132 -11.235 5.930 1.00 0.00 O ATOM 1413 CB GLN A 90 7.460 -10.581 3.325 1.00 0.00 C ATOM 1414 CG GLN A 90 7.959 -10.985 1.947 1.00 0.00 C ATOM 1415 CD GLN A 90 9.467 -11.127 1.892 1.00 0.00 C ATOM 1416 OE1 GLN A 90 10.078 -11.740 2.769 1.00 0.00 O ATOM 1417 NE2 GLN A 90 10.077 -10.560 0.858 1.00 0.00 N ATOM 0 H GLN A 90 4.745 -9.764 4.057 1.00 0.00 H new ATOM 0 HA GLN A 90 6.087 -12.228 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.306 -9.502 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.231 -10.806 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.498 -11.930 1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.641 -10.241 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.532 -10.062 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.091 -10.623 0.767 1.00 0.00 H new ATOM 1426 N GLY A 91 5.086 -12.148 5.728 1.00 0.00 N ATOM 1427 CA GLY A 91 4.989 -12.457 7.142 1.00 0.00 C ATOM 1428 C GLY A 91 4.379 -11.324 7.942 1.00 0.00 C ATOM 1429 O GLY A 91 4.226 -11.427 9.159 1.00 0.00 O ATOM 0 H GLY A 91 4.275 -12.421 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.387 -13.356 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.983 -12.679 7.531 1.00 0.00 H new ATOM 1433 N ARG A 92 4.032 -10.239 7.258 1.00 0.00 N ATOM 1434 CA ARG A 92 3.439 -9.079 7.914 1.00 0.00 C ATOM 1435 C ARG A 92 2.087 -8.737 7.296 1.00 0.00 C ATOM 1436 O ARG A 92 1.944 -8.701 6.072 1.00 0.00 O ATOM 1437 CB ARG A 92 4.378 -7.875 7.815 1.00 0.00 C ATOM 1438 CG ARG A 92 5.646 -8.022 8.640 1.00 0.00 C ATOM 1439 CD ARG A 92 6.038 -6.707 9.296 1.00 0.00 C ATOM 1440 NE ARG A 92 7.471 -6.639 9.571 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.024 -5.734 10.371 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.267 -4.825 10.972 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.335 -5.736 10.571 1.00 0.00 N ATOM 0 H ARG A 92 4.151 -10.138 6.250 1.00 0.00 H new ATOM 0 HA ARG A 92 3.286 -9.326 8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.650 -7.722 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 92 3.845 -6.981 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.497 -8.782 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.459 -8.368 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.754 -5.879 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.484 -6.587 10.227 1.00 0.00 H new ATOM 0 HE ARG A 92 8.081 -7.324 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.258 -4.820 10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.694 -4.131 11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.920 -6.433 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.758 -5.041 11.185 1.00 0.00 H new ATOM 1457 N CYS A 93 1.100 -8.486 8.146 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.242 -8.147 7.683 1.00 0.00 C ATOM 1459 C CYS A 93 -0.313 -6.689 7.243 1.00 0.00 C ATOM 1460 O CYS A 93 -1.086 -5.902 7.790 1.00 0.00 O ATOM 1461 CB CYS A 93 -1.267 -8.411 8.787 1.00 0.00 C ATOM 1462 SG CYS A 93 -1.088 -7.339 10.231 1.00 0.00 S ATOM 0 H CYS A 93 1.202 -8.510 9.161 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.474 -8.778 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.269 -8.285 8.376 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.182 -9.450 9.106 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.012 -6.100 9.845 1.00 0.00 H new ATOM 1468 N VAL A 94 0.499 -6.334 6.254 1.00 0.00 N ATOM 1469 CA VAL A 94 0.529 -4.970 5.740 1.00 0.00 C ATOM 1470 C VAL A 94 -0.881 -4.434 5.522 1.00 0.00 C ATOM 1471 O VAL A 94 -1.761 -5.146 5.038 1.00 0.00 O ATOM 1472 CB VAL A 94 1.309 -4.885 4.415 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.971 -6.068 3.520 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.016 -3.571 3.707 1.00 0.00 C ATOM 0 H VAL A 94 1.146 -6.973 5.792 1.00 0.00 H new ATOM 0 HA VAL A 94 1.035 -4.361 6.490 1.00 0.00 H new ATOM 0 HB VAL A 94 2.375 -4.921 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.531 -5.991 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.236 -6.996 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.097 -6.066 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.576 -3.528 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.051 -3.502 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.313 -2.739 4.346 1.00 0.00 H new ATOM 1484 N LYS A 95 -1.091 -3.172 5.883 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.395 -2.537 5.726 1.00 0.00 C ATOM 1486 C LYS A 95 -2.523 -1.894 4.349 1.00 0.00 C ATOM 1487 O LYS A 95 -1.838 -0.919 4.042 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.606 -1.484 6.816 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.906 -1.653 7.582 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.826 -2.808 8.566 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.225 -2.374 9.969 1.00 0.00 C ATOM 1492 NZ LYS A 95 -5.696 -2.178 10.091 1.00 0.00 N ATOM 0 H LYS A 95 -0.374 -2.569 6.286 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.161 -3.306 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.773 -1.527 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.588 -0.494 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.136 -0.732 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.723 -1.826 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.479 -3.616 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.811 -3.204 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.898 -3.125 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.713 -1.446 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.928 -1.883 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.005 -1.444 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.184 -3.070 9.875 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.408 -2.445 3.525 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.630 -1.922 2.182 1.00 0.00 C ATOM 1508 C VAL A 96 -4.965 -1.191 2.090 1.00 0.00 C ATOM 1509 O VAL A 96 -6.026 -1.787 2.277 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.600 -3.047 1.129 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.373 -4.260 1.624 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.159 -2.552 -0.196 1.00 0.00 C ATOM 0 H VAL A 96 -3.983 -3.253 3.763 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.820 -1.221 1.978 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.564 -3.346 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.342 -5.045 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.923 -4.627 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.409 -3.979 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.130 -3.360 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.190 -2.225 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.559 -1.716 -0.555 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.904 0.104 1.799 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.108 0.918 1.680 1.00 0.00 C ATOM 1524 C ASP A 97 -5.950 1.965 0.581 1.00 0.00 C ATOM 1525 O ASP A 97 -4.840 2.411 0.289 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.421 1.603 3.012 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.968 0.637 4.045 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -6.246 -0.314 4.410 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.119 0.833 4.487 1.00 0.00 O ATOM 0 H ASP A 97 -4.034 0.612 1.641 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.936 0.260 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.515 2.070 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.145 2.401 2.846 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.068 2.351 -0.025 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.053 3.345 -1.093 1.00 0.00 C ATOM 1536 C LEU A 98 -6.834 4.746 -0.531 1.00 0.00 C ATOM 1537 O LEU A 98 -7.597 5.213 0.313 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.366 3.297 -1.877 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.240 3.078 -3.385 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.835 1.734 -3.780 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.917 4.207 -4.147 1.00 0.00 C ATOM 0 H LEU A 98 -7.995 1.992 0.204 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.226 3.110 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.983 2.499 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.900 4.232 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.182 3.075 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.737 1.595 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.306 0.935 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.890 1.708 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.817 4.034 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.974 4.242 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.446 5.155 -3.887 1.00 0.00 H new ATOM 1553 N SER A 99 -5.786 5.410 -1.007 1.00 0.00 N ATOM 1554 CA SER A 99 -5.464 6.758 -0.551 1.00 0.00 C ATOM 1555 C SER A 99 -6.579 7.735 -0.913 1.00 0.00 C ATOM 1556 O SER A 99 -7.129 8.414 -0.046 1.00 0.00 O ATOM 1557 CB SER A 99 -4.143 7.225 -1.164 1.00 0.00 C ATOM 1558 OG SER A 99 -3.094 7.180 -0.212 1.00 0.00 O ATOM 0 H SER A 99 -5.145 5.037 -1.708 1.00 0.00 H new ATOM 0 HA SER A 99 -5.364 6.733 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.891 6.595 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.253 8.242 -1.541 1.00 0.00 H new ATOM 0 HG SER A 99 -2.265 6.897 -0.652 1.00 0.00 H new ATOM 1564 N GLU A 100 -6.907 7.798 -2.200 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.955 8.693 -2.676 1.00 0.00 C ATOM 1566 C GLU A 100 -7.459 10.134 -2.728 1.00 0.00 C ATOM 1567 O GLU A 100 -7.569 10.805 -3.755 1.00 0.00 O ATOM 1568 CB GLU A 100 -9.187 8.597 -1.774 1.00 0.00 C ATOM 1569 CG GLU A 100 -9.470 7.190 -1.276 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.915 6.998 -0.860 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -11.786 7.716 -1.394 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -11.176 6.129 -0.002 1.00 0.00 O ATOM 0 H GLU A 100 -6.463 7.241 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.228 8.386 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.051 9.256 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.056 8.961 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.224 6.475 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.820 6.971 -0.429 1.00 0.00 H new ATOM 1579 N LYS A 101 -6.913 10.606 -1.612 1.00 0.00 N ATOM 1580 CA LYS A 101 -6.398 11.968 -1.528 1.00 0.00 C ATOM 1581 C LYS A 101 -5.444 12.261 -2.682 1.00 0.00 C ATOM 1582 O LYS A 101 -5.347 13.398 -3.146 1.00 0.00 O ATOM 1583 CB LYS A 101 -5.682 12.183 -0.193 1.00 0.00 C ATOM 1584 CG LYS A 101 -4.633 11.126 0.112 1.00 0.00 C ATOM 1585 CD LYS A 101 -4.406 10.981 1.607 1.00 0.00 C ATOM 1586 CE LYS A 101 -3.469 9.825 1.919 1.00 0.00 C ATOM 1587 NZ LYS A 101 -3.550 9.414 3.348 1.00 0.00 N ATOM 0 H LYS A 101 -6.816 10.065 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.242 12.654 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.206 13.164 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.421 12.192 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.948 10.169 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.695 11.392 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.989 11.906 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.361 10.822 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.716 8.975 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.445 10.114 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.896 8.624 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.289 10.217 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.521 9.114 3.568 1.00 0.00 H new ATOM 1601 N TYR A 102 -4.744 11.231 -3.141 1.00 0.00 N ATOM 1602 CA TYR A 102 -3.796 11.378 -4.239 1.00 0.00 C ATOM 1603 C TYR A 102 -4.440 10.993 -5.568 1.00 0.00 C ATOM 1604 O TYR A 102 -5.186 10.016 -5.651 1.00 0.00 O ATOM 1605 CB TYR A 102 -2.557 10.518 -3.992 1.00 0.00 C ATOM 1606 CG TYR A 102 -1.815 10.877 -2.724 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -2.117 12.039 -2.023 1.00 0.00 C ATOM 1608 CD2 TYR A 102 -0.810 10.057 -2.228 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -1.441 12.371 -0.866 1.00 0.00 C ATOM 1610 CE2 TYR A 102 -0.129 10.380 -1.070 1.00 0.00 C ATOM 1611 CZ TYR A 102 -0.449 11.538 -0.393 1.00 0.00 C ATOM 1612 OH TYR A 102 0.227 11.865 0.761 1.00 0.00 O ATOM 0 H TYR A 102 -4.815 10.284 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.497 12.425 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.855 9.471 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.880 10.619 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.894 12.693 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.556 9.150 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.688 13.278 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.649 9.730 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 102 0.893 11.173 0.957 1.00 0.00 H new ATOM 1622 N LYS A 103 -4.145 11.767 -6.608 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.691 11.508 -7.934 1.00 0.00 C ATOM 1624 C LYS A 103 -3.735 10.651 -8.758 1.00 0.00 C ATOM 1625 O LYS A 103 -4.155 9.929 -9.664 1.00 0.00 O ATOM 1626 CB LYS A 103 -4.967 12.825 -8.662 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.271 12.830 -9.438 1.00 0.00 C ATOM 1628 CD LYS A 103 -7.345 13.631 -8.719 1.00 0.00 C ATOM 1629 CE LYS A 103 -7.360 15.081 -9.180 1.00 0.00 C ATOM 1630 NZ LYS A 103 -8.722 15.677 -9.091 1.00 0.00 N ATOM 0 H LYS A 103 -3.530 12.579 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.628 10.964 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.984 13.636 -7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.145 13.030 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.104 13.251 -10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.614 11.805 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.320 13.180 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.171 13.592 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.668 15.663 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.005 15.139 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.659 16.624 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.131 15.752 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.328 15.072 -8.501 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.449 10.733 -8.438 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.433 9.963 -9.146 1.00 0.00 C ATOM 1646 C LYS A 104 -0.064 10.140 -8.496 1.00 0.00 C ATOM 1647 O LYS A 104 0.151 11.076 -7.724 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.371 10.390 -10.614 1.00 0.00 C ATOM 1649 CG LYS A 104 -0.776 11.772 -10.821 1.00 0.00 C ATOM 1650 CD LYS A 104 -0.620 12.097 -12.298 1.00 0.00 C ATOM 1651 CE LYS A 104 0.828 11.975 -12.745 1.00 0.00 C ATOM 1652 NZ LYS A 104 1.160 12.950 -13.821 1.00 0.00 N ATOM 0 H LYS A 104 -2.085 11.326 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.708 8.910 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.780 9.662 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.377 10.371 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.415 12.518 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.196 11.828 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.242 11.423 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.977 13.109 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.486 12.138 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.014 10.962 -13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.156 12.835 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.549 12.779 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.007 13.918 -13.472 1.00 0.00 H new ATOM 1666 N LEU A 105 0.858 9.239 -8.814 1.00 0.00 N ATOM 1667 CA LEU A 105 2.208 9.297 -8.262 1.00 0.00 C ATOM 1668 C LEU A 105 3.135 10.093 -9.175 1.00 0.00 C ATOM 1669 O LEU A 105 3.865 9.523 -9.986 1.00 0.00 O ATOM 1670 CB LEU A 105 2.759 7.885 -8.062 1.00 0.00 C ATOM 1671 CG LEU A 105 1.889 6.935 -7.237 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.486 5.536 -7.228 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.726 7.458 -5.818 1.00 0.00 C ATOM 0 H LEU A 105 0.696 8.459 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 105 2.159 9.801 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.921 7.438 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.734 7.962 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 105 0.903 6.883 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.853 4.874 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.549 5.161 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.484 5.569 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.104 6.770 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.705 7.541 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.252 8.439 -5.844 1.00 0.00 H new ATOM 1685 N VAL A 106 3.104 11.415 -9.034 1.00 0.00 N ATOM 1686 CA VAL A 106 3.944 12.289 -9.843 1.00 0.00 C ATOM 1687 C VAL A 106 5.370 12.332 -9.306 1.00 0.00 C ATOM 1688 O VAL A 106 6.293 12.759 -10.000 1.00 0.00 O ATOM 1689 CB VAL A 106 3.381 13.722 -9.891 1.00 0.00 C ATOM 1690 CG1 VAL A 106 3.597 14.426 -8.560 1.00 0.00 C ATOM 1691 CG2 VAL A 106 4.018 14.507 -11.028 1.00 0.00 C ATOM 0 H VAL A 106 2.506 11.903 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 106 3.951 11.876 -10.852 1.00 0.00 H new ATOM 0 HB VAL A 106 2.308 13.666 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.193 15.437 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.089 13.873 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.664 14.473 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.609 15.517 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.096 14.555 -10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.806 14.012 -11.976 1.00 0.00 H new ATOM 1701 N SER A 107 5.542 11.888 -8.065 1.00 0.00 N ATOM 1702 CA SER A 107 6.856 11.880 -7.432 1.00 0.00 C ATOM 1703 C SER A 107 7.696 10.711 -7.939 1.00 0.00 C ATOM 1704 O SER A 107 7.264 9.560 -7.903 1.00 0.00 O ATOM 1705 CB SER A 107 6.712 11.796 -5.911 1.00 0.00 C ATOM 1706 OG SER A 107 7.980 11.768 -5.279 1.00 0.00 O ATOM 0 H SER A 107 4.789 11.529 -7.478 1.00 0.00 H new ATOM 0 HA SER A 107 7.363 12.809 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.141 12.651 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.150 10.901 -5.645 1.00 0.00 H new ATOM 0 HG SER A 107 7.882 11.432 -4.363 1.00 0.00 H new ATOM 1712 N GLY A 108 8.900 11.018 -8.412 1.00 0.00 N ATOM 1713 CA GLY A 108 9.783 9.984 -8.921 1.00 0.00 C ATOM 1714 C GLY A 108 10.565 10.437 -10.137 1.00 0.00 C ATOM 1715 O GLY A 108 11.795 10.498 -10.124 1.00 0.00 O ATOM 0 H GLY A 108 9.280 11.964 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.478 9.685 -8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.195 9.103 -9.178 1.00 0.00 H new ATOM 1719 N PRO A 109 9.846 10.761 -11.221 1.00 0.00 N ATOM 1720 CA PRO A 109 10.460 11.215 -12.473 1.00 0.00 C ATOM 1721 C PRO A 109 11.077 12.603 -12.345 1.00 0.00 C ATOM 1722 O PRO A 109 11.684 13.113 -13.289 1.00 0.00 O ATOM 1723 CB PRO A 109 9.287 11.240 -13.456 1.00 0.00 C ATOM 1724 CG PRO A 109 8.080 11.422 -12.601 1.00 0.00 C ATOM 1725 CD PRO A 109 8.377 10.711 -11.310 1.00 0.00 C ATOM 0 HA PRO A 109 11.279 10.567 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.390 12.053 -14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.231 10.314 -14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.880 12.479 -12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.195 11.005 -13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.906 11.207 -10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.010 9.685 -11.323 1.00 0.00 H new ATOM 1733 N SER A 110 10.919 13.212 -11.174 1.00 0.00 N ATOM 1734 CA SER A 110 11.458 14.544 -10.926 1.00 0.00 C ATOM 1735 C SER A 110 10.852 15.563 -11.885 1.00 0.00 C ATOM 1736 O SER A 110 10.548 15.246 -13.034 1.00 0.00 O ATOM 1737 CB SER A 110 12.981 14.535 -11.068 1.00 0.00 C ATOM 1738 OG SER A 110 13.571 13.593 -10.188 1.00 0.00 O ATOM 0 H SER A 110 10.422 12.804 -10.382 1.00 0.00 H new ATOM 0 HA SER A 110 11.197 14.831 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.252 14.296 -12.096 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.375 15.529 -10.858 1.00 0.00 H new ATOM 0 HG SER A 110 14.545 13.606 -10.300 1.00 0.00 H new ATOM 1744 N SER A 111 10.679 16.789 -11.402 1.00 0.00 N ATOM 1745 CA SER A 111 10.106 17.856 -12.215 1.00 0.00 C ATOM 1746 C SER A 111 11.186 18.831 -12.672 1.00 0.00 C ATOM 1747 O SER A 111 11.896 19.417 -11.856 1.00 0.00 O ATOM 1748 CB SER A 111 9.029 18.604 -11.426 1.00 0.00 C ATOM 1749 OG SER A 111 8.547 19.720 -12.153 1.00 0.00 O ATOM 0 H SER A 111 10.927 17.068 -10.453 1.00 0.00 H new ATOM 0 HA SER A 111 9.653 17.404 -13.097 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.204 17.929 -11.201 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.438 18.937 -10.472 1.00 0.00 H new ATOM 0 HG SER A 111 7.859 20.180 -11.628 1.00 0.00 H new ATOM 1755 N GLY A 112 11.304 19.000 -13.986 1.00 0.00 N ATOM 1756 CA GLY A 112 12.300 19.903 -14.532 1.00 0.00 C ATOM 1757 C GLY A 112 11.801 21.333 -14.616 1.00 0.00 C ATOM 1758 O GLY A 112 10.604 21.571 -14.769 1.00 0.00 O ATOM 0 H GLY A 112 10.727 18.527 -14.682 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.196 19.870 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.588 19.563 -15.527 1.00 0.00 H new TER 1762 GLY A 112