USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 928 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 71 ASN : amide:sc= 1.74 K(o=2.6,f=-3.4!) USER MOD Set 1.2: A 73 TYR OH : rot 30:sc= 0.875 USER MOD Set 2.1: A 44 ASN : amide:sc= 1.49 K(o=1.6,f=0.063) USER MOD Set 2.2: A 97 TYR OH : rot 39:sc= 0.0785 USER MOD Set 3.1: A 31 CYS SG : rot 86:sc= 0.311 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 0.297 USER MOD Set 4.1: A 20 SER OG : rot 170:sc= 0.788 USER MOD Set 4.2: A 101 GLN : amide:sc= 1.91 K(o=2.7,f=-3.9!) USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 22 SER OG : rot -152:sc= 0.937 USER MOD Single : A 1 LYS N :NH3+ -166:sc= 0 (180deg=-0.256) USER MOD Single : A 1 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0547) USER MOD Single : A 3 SER OG : rot 180:sc= 0.257 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 12 HIS : no HD1:sc= -0.79 K(o=-0.79,f=-2.5) USER MOD Single : A 13 MET CE :methyl -169:sc=-0.00303 (180deg=-0.198) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.087) USER MOD Single : A 21 SER OG : rot -52:sc= 0.0292 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00712 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 29 MET CE :methyl -171:sc= 0 (180deg=-0.0461) USER MOD Single : A 30 MET CE :methyl 154:sc= -0.752 (180deg=-3.17!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.113) USER MOD Single : A 35 MET CE :methyl 158:sc= 0 (180deg=-0.00545) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.0282 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.741) USER MOD Single : A 45 THR OG1 : rot -66:sc= 1.15 USER MOD Single : A 48 HIS : no HE2:sc= 0.151 K(o=0.15,f=-3.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= 0.235 F(o=-1.4!,f=0.23) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.115) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.462 (180deg=-0.86) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0756) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 70 THR OG1 : rot 97:sc= 0.944 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 75 SER OG : rot -150:sc= -0.0202 USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 77 SER OG : rot 44:sc= 0.126 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 79 MET CE :methyl 159:sc= 0 (180deg=-0.0614) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 89 SER OG : rot 180:sc= 0.287 USER MOD Single : A 90 SER OG : rot 160:sc= 0.618 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -177:sc= 0.353 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0463) USER MOD Single : A 105 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.053) USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0626) USER MOD Single : A 115 SER OG : rot 56:sc= 0.492 USER MOD Single : A 119 HIS : no HE2:sc= 0.325 K(o=0.32,f=-3.4!) USER MOD Single : A 123 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.000 -6.964 7.860 1.00 0.00 N ATOM 2 CA LYS A 1 -15.966 -8.215 8.642 1.00 0.00 C ATOM 3 C LYS A 1 -14.531 -8.738 8.748 1.00 0.00 C ATOM 4 O LYS A 1 -13.985 -8.868 9.842 1.00 0.00 O ATOM 5 CB LYS A 1 -16.904 -9.277 8.043 1.00 0.00 C ATOM 6 CG LYS A 1 -18.349 -8.776 7.900 1.00 0.00 C ATOM 7 CD LYS A 1 -19.251 -9.920 7.414 1.00 0.00 C ATOM 8 CE LYS A 1 -20.711 -9.478 7.248 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.871 -8.473 6.181 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.920 -6.497 7.992 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.241 -6.331 8.184 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.863 -7.181 6.852 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.326 -7.997 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.529 -9.577 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.892 -10.165 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.709 -8.398 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.388 -7.946 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.877 -10.296 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.202 -10.746 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.328 -10.347 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -21.073 -9.066 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.882 -8.279 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.386 -7.595 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -20.457 -8.835 5.298 1.00 0.00 H new ATOM 25 N GLU A 2 -13.921 -9.022 7.593 1.00 0.00 N ATOM 26 CA GLU A 2 -12.532 -9.412 7.466 1.00 0.00 C ATOM 27 C GLU A 2 -11.600 -8.407 8.152 1.00 0.00 C ATOM 28 O GLU A 2 -11.880 -7.210 8.196 1.00 0.00 O ATOM 29 CB GLU A 2 -12.206 -9.585 5.971 1.00 0.00 C ATOM 30 CG GLU A 2 -10.706 -9.651 5.647 1.00 0.00 C ATOM 31 CD GLU A 2 -10.470 -10.059 4.197 1.00 0.00 C ATOM 32 OE1 GLU A 2 -10.536 -9.156 3.336 1.00 0.00 O ATOM 33 OE2 GLU A 2 -10.228 -11.266 3.978 1.00 0.00 O ATOM 0 H GLU A 2 -14.406 -8.982 6.696 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.369 -10.362 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.682 -10.497 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.648 -8.756 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.249 -8.679 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.219 -10.365 6.312 1.00 0.00 H new ATOM 40 N SER A 3 -10.463 -8.908 8.641 1.00 0.00 N ATOM 41 CA SER A 3 -9.331 -8.121 9.094 1.00 0.00 C ATOM 42 C SER A 3 -8.099 -8.656 8.364 1.00 0.00 C ATOM 43 O SER A 3 -8.229 -9.478 7.459 1.00 0.00 O ATOM 44 CB SER A 3 -9.206 -8.205 10.619 1.00 0.00 C ATOM 45 OG SER A 3 -8.172 -7.346 11.069 1.00 0.00 O ATOM 0 H SER A 3 -10.307 -9.912 8.733 1.00 0.00 H new ATOM 0 HA SER A 3 -9.451 -7.062 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.151 -7.926 11.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.994 -9.231 10.919 1.00 0.00 H new ATOM 0 HG SER A 3 -8.100 -7.404 12.045 1.00 0.00 H new ATOM 51 N ALA A 4 -6.916 -8.172 8.734 1.00 0.00 N ATOM 52 CA ALA A 4 -5.649 -8.353 8.035 1.00 0.00 C ATOM 53 C ALA A 4 -5.741 -7.735 6.646 1.00 0.00 C ATOM 54 O ALA A 4 -5.214 -6.658 6.394 1.00 0.00 O ATOM 55 CB ALA A 4 -5.212 -9.827 7.943 1.00 0.00 C ATOM 0 H ALA A 4 -6.811 -7.610 9.579 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.882 -7.845 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.262 -9.893 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.095 -10.235 8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.969 -10.398 7.405 1.00 0.00 H new ATOM 61 N ALA A 5 -6.438 -8.429 5.756 1.00 0.00 N ATOM 62 CA ALA A 5 -6.439 -8.165 4.331 1.00 0.00 C ATOM 63 C ALA A 5 -7.359 -7.020 3.953 1.00 0.00 C ATOM 64 O ALA A 5 -7.008 -6.197 3.115 1.00 0.00 O ATOM 65 CB ALA A 5 -6.801 -9.444 3.580 1.00 0.00 C ATOM 0 H ALA A 5 -7.035 -9.214 6.018 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.436 -7.850 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.803 -9.248 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.068 -10.219 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.791 -9.780 3.889 1.00 0.00 H new ATOM 71 N ALA A 6 -8.526 -6.943 4.589 1.00 0.00 N ATOM 72 CA ALA A 6 -9.439 -5.830 4.367 1.00 0.00 C ATOM 73 C ALA A 6 -8.767 -4.559 4.865 1.00 0.00 C ATOM 74 O ALA A 6 -8.744 -3.544 4.174 1.00 0.00 O ATOM 75 CB ALA A 6 -10.772 -6.046 5.083 1.00 0.00 C ATOM 0 H ALA A 6 -8.859 -7.636 5.259 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.659 -5.751 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.428 -5.196 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.242 -6.956 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.598 -6.140 6.155 1.00 0.00 H new ATOM 81 N LYS A 7 -8.196 -4.631 6.068 1.00 0.00 N ATOM 82 CA LYS A 7 -7.485 -3.510 6.650 1.00 0.00 C ATOM 83 C LYS A 7 -6.315 -3.102 5.752 1.00 0.00 C ATOM 84 O LYS A 7 -6.208 -1.940 5.363 1.00 0.00 O ATOM 85 CB LYS A 7 -7.032 -3.892 8.063 1.00 0.00 C ATOM 86 CG LYS A 7 -8.197 -3.759 9.051 1.00 0.00 C ATOM 87 CD LYS A 7 -7.689 -3.882 10.491 1.00 0.00 C ATOM 88 CE LYS A 7 -8.828 -3.614 11.481 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.348 -3.657 12.874 1.00 0.00 N ATOM 0 H LYS A 7 -8.217 -5.464 6.656 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.139 -2.642 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.658 -4.916 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.208 -3.250 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.692 -2.797 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.941 -4.531 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.281 -4.879 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.877 -3.174 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.269 -2.638 11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.615 -4.355 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.141 -3.472 13.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.949 -4.596 13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.614 -2.933 13.011 1.00 0.00 H new ATOM 103 N PHE A 8 -5.469 -4.072 5.392 1.00 0.00 N ATOM 104 CA PHE A 8 -4.361 -3.889 4.468 1.00 0.00 C ATOM 105 C PHE A 8 -4.836 -3.183 3.199 1.00 0.00 C ATOM 106 O PHE A 8 -4.273 -2.163 2.813 1.00 0.00 O ATOM 107 CB PHE A 8 -3.739 -5.247 4.131 1.00 0.00 C ATOM 108 CG PHE A 8 -2.594 -5.178 3.138 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.423 -4.466 3.463 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.723 -5.762 1.865 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.393 -4.331 2.517 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.687 -5.637 0.924 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.522 -4.923 1.249 1.00 0.00 C ATOM 0 H PHE A 8 -5.543 -5.026 5.747 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.604 -3.263 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.380 -5.708 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.514 -5.899 3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.317 -4.023 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.620 -6.307 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.498 -3.772 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.787 -6.091 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.274 -4.829 0.525 1.00 0.00 H new ATOM 123 N GLU A 9 -5.885 -3.709 2.565 1.00 0.00 N ATOM 124 CA GLU A 9 -6.460 -3.122 1.371 1.00 0.00 C ATOM 125 C GLU A 9 -6.823 -1.661 1.642 1.00 0.00 C ATOM 126 O GLU A 9 -6.299 -0.772 0.984 1.00 0.00 O ATOM 127 CB GLU A 9 -7.664 -3.954 0.906 1.00 0.00 C ATOM 128 CG GLU A 9 -8.145 -3.497 -0.476 1.00 0.00 C ATOM 129 CD GLU A 9 -9.334 -4.303 -0.996 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.951 -5.025 -0.183 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.606 -4.177 -2.210 1.00 0.00 O ATOM 0 H GLU A 9 -6.357 -4.559 2.873 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.733 -3.132 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.390 -5.008 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.476 -3.860 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.422 -2.444 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.321 -3.578 -1.185 1.00 0.00 H new ATOM 138 N ARG A 10 -7.691 -1.409 2.624 1.00 0.00 N ATOM 139 CA ARG A 10 -8.148 -0.073 2.975 1.00 0.00 C ATOM 140 C ARG A 10 -6.984 0.907 3.153 1.00 0.00 C ATOM 141 O ARG A 10 -7.022 2.016 2.627 1.00 0.00 O ATOM 142 CB ARG A 10 -8.968 -0.154 4.269 1.00 0.00 C ATOM 143 CG ARG A 10 -10.356 -0.782 4.091 1.00 0.00 C ATOM 144 CD ARG A 10 -11.344 0.175 3.419 1.00 0.00 C ATOM 145 NE ARG A 10 -12.704 -0.367 3.492 1.00 0.00 N ATOM 146 CZ ARG A 10 -13.795 0.250 3.016 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.684 1.429 2.393 1.00 0.00 N ATOM 148 NH2 ARG A 10 -14.995 -0.316 3.167 1.00 0.00 N ATOM 0 H ARG A 10 -8.099 -2.142 3.204 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.762 0.304 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.410 -0.734 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.085 0.850 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.268 -1.689 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.746 -1.079 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.306 1.149 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.061 0.329 2.378 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.829 -1.277 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.767 1.861 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.516 1.895 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.079 -1.214 3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.828 0.150 2.806 1.00 0.00 H new ATOM 162 N GLN A 11 -5.980 0.528 3.946 1.00 0.00 N ATOM 163 CA GLN A 11 -4.921 1.447 4.343 1.00 0.00 C ATOM 164 C GLN A 11 -3.785 1.527 3.319 1.00 0.00 C ATOM 165 O GLN A 11 -3.080 2.532 3.283 1.00 0.00 O ATOM 166 CB GLN A 11 -4.414 1.081 5.745 1.00 0.00 C ATOM 167 CG GLN A 11 -3.529 -0.173 5.762 1.00 0.00 C ATOM 168 CD GLN A 11 -3.402 -0.757 7.166 1.00 0.00 C ATOM 169 OE1 GLN A 11 -3.679 -1.929 7.392 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.982 0.060 8.128 1.00 0.00 N ATOM 0 H GLN A 11 -5.881 -0.414 4.325 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.345 2.450 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.850 1.921 6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.268 0.923 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.949 -0.924 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.539 0.076 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.759 1.031 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.883 -0.285 9.083 1.00 0.00 H new ATOM 179 N HIS A 12 -3.568 0.463 2.538 1.00 0.00 N ATOM 180 CA HIS A 12 -2.381 0.292 1.702 1.00 0.00 C ATOM 181 C HIS A 12 -2.700 0.213 0.205 1.00 0.00 C ATOM 182 O HIS A 12 -1.778 0.238 -0.609 1.00 0.00 O ATOM 183 CB HIS A 12 -1.611 -0.954 2.173 1.00 0.00 C ATOM 184 CG HIS A 12 -0.119 -0.757 2.212 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.599 -0.298 3.301 1.00 0.00 N ATOM 186 CD2 HIS A 12 0.756 -0.981 1.188 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.894 -0.250 2.944 1.00 0.00 C ATOM 188 NE2 HIS A 12 2.012 -0.662 1.669 1.00 0.00 N ATOM 0 H HIS A 12 -4.225 -0.315 2.470 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.761 1.181 1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.959 -1.232 3.168 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.843 -1.787 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.514 -1.337 0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.708 0.068 3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.884 -0.728 1.144 1.00 0.00 H new ATOM 197 N MET A 13 -3.977 0.120 -0.183 1.00 0.00 N ATOM 198 CA MET A 13 -4.425 0.191 -1.567 1.00 0.00 C ATOM 199 C MET A 13 -5.492 1.271 -1.668 1.00 0.00 C ATOM 200 O MET A 13 -6.295 1.447 -0.758 1.00 0.00 O ATOM 201 CB MET A 13 -4.953 -1.173 -2.041 1.00 0.00 C ATOM 202 CG MET A 13 -5.058 -1.229 -3.573 1.00 0.00 C ATOM 203 SD MET A 13 -5.603 -2.798 -4.285 1.00 0.00 S ATOM 204 CE MET A 13 -7.390 -2.623 -4.120 1.00 0.00 C ATOM 0 H MET A 13 -4.742 -0.010 0.479 1.00 0.00 H new ATOM 0 HA MET A 13 -3.590 0.447 -2.219 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.290 -1.964 -1.691 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.932 -1.360 -1.600 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.747 -0.449 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.082 -0.985 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.870 -3.579 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.633 -2.310 -3.104 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.749 -1.874 -4.826 1.00 0.00 H new ATOM 214 N ASP A 14 -5.507 2.000 -2.783 1.00 0.00 N ATOM 215 CA ASP A 14 -6.588 2.917 -3.088 1.00 0.00 C ATOM 216 C ASP A 14 -6.571 3.198 -4.587 1.00 0.00 C ATOM 217 O ASP A 14 -6.313 4.326 -5.003 1.00 0.00 O ATOM 218 CB ASP A 14 -6.502 4.190 -2.228 1.00 0.00 C ATOM 219 CG ASP A 14 -7.695 5.118 -2.439 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.772 4.609 -2.819 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.515 6.331 -2.196 1.00 0.00 O ATOM 0 H ASP A 14 -4.773 1.968 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.549 2.469 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.444 3.911 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.583 4.725 -2.467 1.00 0.00 H new ATOM 226 N SER A 15 -6.776 2.116 -5.351 1.00 0.00 N ATOM 227 CA SER A 15 -7.049 2.020 -6.785 1.00 0.00 C ATOM 228 C SER A 15 -6.484 3.143 -7.673 1.00 0.00 C ATOM 229 O SER A 15 -7.120 3.536 -8.647 1.00 0.00 O ATOM 230 CB SER A 15 -8.562 1.807 -6.969 1.00 0.00 C ATOM 231 OG SER A 15 -9.285 2.748 -6.196 1.00 0.00 O ATOM 0 H SER A 15 -6.751 1.188 -4.929 1.00 0.00 H new ATOM 0 HA SER A 15 -6.488 1.162 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.826 1.910 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.833 0.794 -6.670 1.00 0.00 H new ATOM 0 HG SER A 15 -10.246 2.605 -6.322 1.00 0.00 H new ATOM 237 N GLY A 16 -5.262 3.611 -7.398 1.00 0.00 N ATOM 238 CA GLY A 16 -4.649 4.696 -8.150 1.00 0.00 C ATOM 239 C GLY A 16 -5.417 5.992 -7.946 1.00 0.00 C ATOM 240 O GLY A 16 -6.060 6.518 -8.853 1.00 0.00 O ATOM 0 H GLY A 16 -4.676 3.245 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.615 4.827 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.627 4.443 -9.210 1.00 0.00 H new ATOM 244 N ASN A 17 -5.348 6.498 -6.720 1.00 0.00 N ATOM 245 CA ASN A 17 -6.099 7.670 -6.301 1.00 0.00 C ATOM 246 C ASN A 17 -5.619 8.943 -6.980 1.00 0.00 C ATOM 247 O ASN A 17 -4.802 9.698 -6.459 1.00 0.00 O ATOM 248 CB ASN A 17 -6.200 7.803 -4.788 1.00 0.00 C ATOM 249 CG ASN A 17 -4.867 7.883 -4.049 1.00 0.00 C ATOM 250 OD1 ASN A 17 -4.410 8.956 -3.669 1.00 0.00 O ATOM 251 ND2 ASN A 17 -4.248 6.732 -3.796 1.00 0.00 N ATOM 0 H ASN A 17 -4.763 6.101 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.121 7.512 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.779 8.697 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.760 6.951 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.372 6.728 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.650 5.854 -4.124 1.00 0.00 H new ATOM 258 N SER A 18 -6.211 9.158 -8.149 1.00 0.00 N ATOM 259 CA SER A 18 -6.080 10.322 -8.999 1.00 0.00 C ATOM 260 C SER A 18 -4.702 10.296 -9.678 1.00 0.00 C ATOM 261 O SER A 18 -3.910 9.392 -9.408 1.00 0.00 O ATOM 262 CB SER A 18 -6.481 11.587 -8.219 1.00 0.00 C ATOM 263 OG SER A 18 -5.377 12.292 -7.687 1.00 0.00 O ATOM 0 H SER A 18 -6.842 8.466 -8.553 1.00 0.00 H new ATOM 0 HA SER A 18 -6.780 10.321 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.042 12.249 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.150 11.306 -7.405 1.00 0.00 H new ATOM 0 HG SER A 18 -5.696 13.084 -7.206 1.00 0.00 H new ATOM 269 N PRO A 19 -4.421 11.187 -10.642 1.00 0.00 N ATOM 270 CA PRO A 19 -3.178 11.117 -11.388 1.00 0.00 C ATOM 271 C PRO A 19 -2.008 11.512 -10.483 1.00 0.00 C ATOM 272 O PRO A 19 -2.212 11.923 -9.345 1.00 0.00 O ATOM 273 CB PRO A 19 -3.366 12.057 -12.579 1.00 0.00 C ATOM 274 CG PRO A 19 -4.342 13.105 -12.046 1.00 0.00 C ATOM 275 CD PRO A 19 -5.228 12.313 -11.082 1.00 0.00 C ATOM 0 HA PRO A 19 -2.944 10.114 -11.743 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.423 12.506 -12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.771 11.534 -13.445 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.821 13.916 -11.537 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.925 13.555 -12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.535 12.929 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.138 11.973 -11.576 1.00 0.00 H new ATOM 283 N SER A 20 -0.786 11.375 -11.002 1.00 0.00 N ATOM 284 CA SER A 20 0.497 11.469 -10.316 1.00 0.00 C ATOM 285 C SER A 20 0.809 12.813 -9.632 1.00 0.00 C ATOM 286 O SER A 20 1.835 13.418 -9.942 1.00 0.00 O ATOM 287 CB SER A 20 1.551 11.166 -11.385 1.00 0.00 C ATOM 288 OG SER A 20 1.174 10.012 -12.120 1.00 0.00 O ATOM 0 H SER A 20 -0.662 11.179 -11.995 1.00 0.00 H new ATOM 0 HA SER A 20 0.485 10.767 -9.483 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.656 12.018 -12.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.522 11.008 -10.916 1.00 0.00 H new ATOM 0 HG SER A 20 1.760 9.915 -12.900 1.00 0.00 H new ATOM 294 N SER A 21 -0.027 13.277 -8.699 1.00 0.00 N ATOM 295 CA SER A 21 0.183 14.489 -7.913 1.00 0.00 C ATOM 296 C SER A 21 -0.858 14.578 -6.784 1.00 0.00 C ATOM 297 O SER A 21 -1.308 15.668 -6.431 1.00 0.00 O ATOM 298 CB SER A 21 0.127 15.730 -8.826 1.00 0.00 C ATOM 299 OG SER A 21 0.757 16.839 -8.211 1.00 0.00 O ATOM 0 H SER A 21 -0.898 12.800 -8.465 1.00 0.00 H new ATOM 0 HA SER A 21 1.172 14.451 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.615 15.510 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.911 15.975 -9.050 1.00 0.00 H new ATOM 0 HG SER A 21 0.382 16.973 -7.316 1.00 0.00 H new ATOM 305 N SER A 22 -1.278 13.449 -6.199 1.00 0.00 N ATOM 306 CA SER A 22 -2.363 13.408 -5.224 1.00 0.00 C ATOM 307 C SER A 22 -1.900 13.876 -3.829 1.00 0.00 C ATOM 308 O SER A 22 -2.151 13.217 -2.820 1.00 0.00 O ATOM 309 CB SER A 22 -2.992 11.996 -5.243 1.00 0.00 C ATOM 310 OG SER A 22 -2.450 11.208 -6.291 1.00 0.00 O ATOM 0 H SER A 22 -0.869 12.535 -6.394 1.00 0.00 H new ATOM 0 HA SER A 22 -3.142 14.120 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.817 11.504 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.072 12.077 -5.367 1.00 0.00 H new ATOM 0 HG SER A 22 -3.109 10.539 -6.572 1.00 0.00 H new ATOM 316 N SER A 23 -1.208 15.015 -3.747 1.00 0.00 N ATOM 317 CA SER A 23 -0.605 15.534 -2.524 1.00 0.00 C ATOM 318 C SER A 23 -1.670 15.779 -1.454 1.00 0.00 C ATOM 319 O SER A 23 -1.717 15.105 -0.421 1.00 0.00 O ATOM 320 CB SER A 23 0.203 16.787 -2.875 1.00 0.00 C ATOM 321 OG SER A 23 1.027 16.479 -3.986 1.00 0.00 O ATOM 0 H SER A 23 -1.049 15.617 -4.555 1.00 0.00 H new ATOM 0 HA SER A 23 0.079 14.803 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.463 17.616 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.810 17.100 -2.025 1.00 0.00 H new ATOM 0 HG SER A 23 1.554 17.268 -4.231 1.00 0.00 H new ATOM 327 N ASN A 24 -2.573 16.724 -1.727 1.00 0.00 N ATOM 328 CA ASN A 24 -3.655 17.022 -0.802 1.00 0.00 C ATOM 329 C ASN A 24 -4.578 15.821 -0.645 1.00 0.00 C ATOM 330 O ASN A 24 -5.096 15.588 0.439 1.00 0.00 O ATOM 331 CB ASN A 24 -4.435 18.261 -1.247 1.00 0.00 C ATOM 332 CG ASN A 24 -5.543 18.579 -0.244 1.00 0.00 C ATOM 333 OD1 ASN A 24 -5.267 18.871 0.914 1.00 0.00 O ATOM 334 ND2 ASN A 24 -6.802 18.528 -0.670 1.00 0.00 N ATOM 0 H ASN A 24 -2.572 17.289 -2.576 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.216 17.239 0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.760 19.112 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.866 18.093 -2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.567 18.735 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.003 18.282 -1.639 1.00 0.00 H new ATOM 341 N TYR A 25 -4.755 15.047 -1.717 1.00 0.00 N ATOM 342 CA TYR A 25 -5.484 13.787 -1.687 1.00 0.00 C ATOM 343 C TYR A 25 -4.972 12.906 -0.543 1.00 0.00 C ATOM 344 O TYR A 25 -5.744 12.386 0.261 1.00 0.00 O ATOM 345 CB TYR A 25 -5.312 13.072 -3.038 1.00 0.00 C ATOM 346 CG TYR A 25 -6.597 12.516 -3.614 1.00 0.00 C ATOM 347 CD1 TYR A 25 -7.095 11.280 -3.160 1.00 0.00 C ATOM 348 CD2 TYR A 25 -7.308 13.243 -4.586 1.00 0.00 C ATOM 349 CE1 TYR A 25 -8.301 10.776 -3.674 1.00 0.00 C ATOM 350 CE2 TYR A 25 -8.500 12.724 -5.119 1.00 0.00 C ATOM 351 CZ TYR A 25 -8.996 11.492 -4.664 1.00 0.00 C ATOM 352 OH TYR A 25 -10.144 10.990 -5.198 1.00 0.00 O ATOM 0 H TYR A 25 -4.390 15.284 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.543 13.982 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.879 13.771 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.599 12.257 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.549 10.719 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.938 14.200 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.694 9.839 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.035 13.273 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.494 11.614 -5.867 1.00 0.00 H new ATOM 362 N CYS A 26 -3.649 12.746 -0.478 1.00 0.00 N ATOM 363 CA CYS A 26 -3.019 11.843 0.469 1.00 0.00 C ATOM 364 C CYS A 26 -3.139 12.396 1.886 1.00 0.00 C ATOM 365 O CYS A 26 -3.576 11.697 2.803 1.00 0.00 O ATOM 366 CB CYS A 26 -1.555 11.644 0.096 1.00 0.00 C ATOM 367 SG CYS A 26 -0.726 10.549 1.250 1.00 0.00 S ATOM 0 H CYS A 26 -2.991 13.240 -1.081 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.526 10.879 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.488 11.232 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.048 12.609 0.080 1.00 0.00 H new ATOM 372 N ASN A 27 -2.775 13.673 2.057 1.00 0.00 N ATOM 373 CA ASN A 27 -2.919 14.374 3.323 1.00 0.00 C ATOM 374 C ASN A 27 -4.347 14.235 3.856 1.00 0.00 C ATOM 375 O ASN A 27 -4.555 13.794 4.987 1.00 0.00 O ATOM 376 CB ASN A 27 -2.556 15.845 3.122 1.00 0.00 C ATOM 377 CG ASN A 27 -2.548 16.571 4.458 1.00 0.00 C ATOM 378 OD1 ASN A 27 -3.560 17.110 4.892 1.00 0.00 O ATOM 379 ND2 ASN A 27 -1.398 16.586 5.122 1.00 0.00 N ATOM 0 H ASN A 27 -2.372 14.244 1.314 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.247 13.935 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.576 15.924 2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.273 16.315 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.336 17.057 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.576 16.127 4.729 1.00 0.00 H new ATOM 386 N LEU A 28 -5.327 14.577 3.017 1.00 0.00 N ATOM 387 CA LEU A 28 -6.743 14.422 3.299 1.00 0.00 C ATOM 388 C LEU A 28 -7.029 12.996 3.753 1.00 0.00 C ATOM 389 O LEU A 28 -7.641 12.810 4.800 1.00 0.00 O ATOM 390 CB LEU A 28 -7.573 14.790 2.059 1.00 0.00 C ATOM 391 CG LEU A 28 -9.058 14.413 2.169 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.755 15.136 3.329 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.763 14.765 0.854 1.00 0.00 C ATOM 0 H LEU A 28 -5.145 14.980 2.098 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.027 15.098 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.493 15.863 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.146 14.294 1.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.118 13.342 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.803 14.838 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.268 14.871 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.690 16.213 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.818 14.500 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.669 15.835 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.304 14.211 0.035 1.00 0.00 H new ATOM 405 N MET A 29 -6.621 11.991 2.973 1.00 0.00 N ATOM 406 CA MET A 29 -6.928 10.607 3.295 1.00 0.00 C ATOM 407 C MET A 29 -6.460 10.249 4.708 1.00 0.00 C ATOM 408 O MET A 29 -7.268 9.798 5.521 1.00 0.00 O ATOM 409 CB MET A 29 -6.365 9.669 2.221 1.00 0.00 C ATOM 410 CG MET A 29 -6.733 8.206 2.515 1.00 0.00 C ATOM 411 SD MET A 29 -7.059 7.168 1.067 1.00 0.00 S ATOM 412 CE MET A 29 -8.655 7.847 0.554 1.00 0.00 C ATOM 0 H MET A 29 -6.079 12.116 2.118 1.00 0.00 H new ATOM 0 HA MET A 29 -8.010 10.477 3.294 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.754 9.956 1.244 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.281 9.772 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.922 7.755 3.086 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.617 8.195 3.153 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.082 7.221 -0.229 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.332 7.872 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.515 8.859 0.173 1.00 0.00 H new ATOM 422 N MET A 30 -5.179 10.449 5.030 1.00 0.00 N ATOM 423 CA MET A 30 -4.704 10.075 6.358 1.00 0.00 C ATOM 424 C MET A 30 -5.286 10.972 7.458 1.00 0.00 C ATOM 425 O MET A 30 -5.540 10.499 8.567 1.00 0.00 O ATOM 426 CB MET A 30 -3.182 9.962 6.432 1.00 0.00 C ATOM 427 CG MET A 30 -2.402 11.154 5.876 1.00 0.00 C ATOM 428 SD MET A 30 -0.825 11.488 6.698 1.00 0.00 S ATOM 429 CE MET A 30 -0.183 9.820 6.966 1.00 0.00 C ATOM 0 H MET A 30 -4.476 10.854 4.412 1.00 0.00 H new ATOM 0 HA MET A 30 -5.085 9.071 6.547 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.897 9.819 7.474 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.876 9.066 5.891 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.213 10.983 4.816 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.028 12.044 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.905 9.853 7.019 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.580 9.423 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.486 9.176 6.140 1.00 0.00 H new ATOM 439 N CYS A 31 -5.515 12.256 7.167 1.00 0.00 N ATOM 440 CA CYS A 31 -6.179 13.151 8.107 1.00 0.00 C ATOM 441 C CYS A 31 -7.571 12.616 8.454 1.00 0.00 C ATOM 442 O CYS A 31 -7.896 12.433 9.624 1.00 0.00 O ATOM 443 CB CYS A 31 -6.257 14.566 7.531 1.00 0.00 C ATOM 444 SG CYS A 31 -7.103 15.609 8.737 1.00 0.00 S ATOM 0 H CYS A 31 -5.248 12.695 6.286 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.595 13.195 9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.258 14.951 7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.796 14.563 6.584 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.241 16.065 9.597 1.00 0.00 H new ATOM 450 N CYS A 32 -8.369 12.297 7.433 1.00 0.00 N ATOM 451 CA CYS A 32 -9.684 11.677 7.565 1.00 0.00 C ATOM 452 C CYS A 32 -9.595 10.360 8.337 1.00 0.00 C ATOM 453 O CYS A 32 -10.398 10.107 9.233 1.00 0.00 O ATOM 454 CB CYS A 32 -10.286 11.449 6.176 1.00 0.00 C ATOM 455 SG CYS A 32 -11.842 10.549 6.355 1.00 0.00 S ATOM 0 H CYS A 32 -8.107 12.469 6.462 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.332 12.348 8.129 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.457 12.403 5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.593 10.884 5.553 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.366 10.350 5.182 1.00 0.00 H new ATOM 461 N ARG A 33 -8.587 9.541 8.020 1.00 0.00 N ATOM 462 CA ARG A 33 -8.293 8.306 8.740 1.00 0.00 C ATOM 463 C ARG A 33 -7.982 8.573 10.225 1.00 0.00 C ATOM 464 O ARG A 33 -8.087 7.661 11.043 1.00 0.00 O ATOM 465 CB ARG A 33 -7.129 7.585 8.037 1.00 0.00 C ATOM 466 CG ARG A 33 -6.977 6.088 8.344 1.00 0.00 C ATOM 467 CD ARG A 33 -7.843 5.186 7.455 1.00 0.00 C ATOM 468 NE ARG A 33 -9.278 5.327 7.736 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.906 4.829 8.811 1.00 0.00 C ATOM 470 NH1 ARG A 33 -9.229 4.141 9.737 1.00 0.00 N ATOM 471 NH2 ARG A 33 -11.219 5.030 8.955 1.00 0.00 N ATOM 0 H ARG A 33 -7.947 9.723 7.247 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.174 7.664 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.252 7.704 6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.200 8.087 8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.931 5.806 8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.237 5.912 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.656 5.426 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.548 4.147 7.601 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.841 5.844 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.226 3.991 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.716 3.766 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.734 5.558 8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.706 4.655 9.769 1.00 0.00 H new ATOM 485 N LYS A 34 -7.581 9.802 10.575 1.00 0.00 N ATOM 486 CA LYS A 34 -7.239 10.231 11.927 1.00 0.00 C ATOM 487 C LYS A 34 -6.110 9.379 12.502 1.00 0.00 C ATOM 488 O LYS A 34 -6.160 8.943 13.651 1.00 0.00 O ATOM 489 CB LYS A 34 -8.483 10.301 12.828 1.00 0.00 C ATOM 490 CG LYS A 34 -9.401 11.442 12.377 1.00 0.00 C ATOM 491 CD LYS A 34 -10.668 11.496 13.239 1.00 0.00 C ATOM 492 CE LYS A 34 -11.472 12.772 12.960 1.00 0.00 C ATOM 493 NZ LYS A 34 -11.824 12.901 11.534 1.00 0.00 N ATOM 0 H LYS A 34 -7.484 10.552 9.891 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.855 11.250 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.022 9.354 12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.182 10.455 13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.869 12.391 12.445 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.673 11.303 11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.286 10.621 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.396 11.457 14.294 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.382 12.765 13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.892 13.641 13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.504 13.678 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.966 13.103 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.250 12.013 11.200 1.00 0.00 H new ATOM 507 N MET A 35 -5.055 9.195 11.703 1.00 0.00 N ATOM 508 CA MET A 35 -3.820 8.553 12.121 1.00 0.00 C ATOM 509 C MET A 35 -2.669 9.565 12.076 1.00 0.00 C ATOM 510 O MET A 35 -1.511 9.184 11.936 1.00 0.00 O ATOM 511 CB MET A 35 -3.577 7.329 11.231 1.00 0.00 C ATOM 512 CG MET A 35 -4.746 6.338 11.328 1.00 0.00 C ATOM 513 SD MET A 35 -4.507 4.731 10.523 1.00 0.00 S ATOM 514 CE MET A 35 -3.381 3.931 11.687 1.00 0.00 C ATOM 0 H MET A 35 -5.042 9.497 10.729 1.00 0.00 H new ATOM 0 HA MET A 35 -3.888 8.205 13.152 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.450 7.647 10.196 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.652 6.836 11.529 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.960 6.164 12.382 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.630 6.808 10.897 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.441 2.849 11.567 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.361 4.262 11.492 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.661 4.199 12.706 1.00 0.00 H new ATOM 524 N THR A 36 -2.989 10.857 12.199 1.00 0.00 N ATOM 525 CA THR A 36 -2.070 11.977 12.065 1.00 0.00 C ATOM 526 C THR A 36 -1.872 12.691 13.408 1.00 0.00 C ATOM 527 O THR A 36 -1.535 13.875 13.450 1.00 0.00 O ATOM 528 CB THR A 36 -2.693 12.919 11.030 1.00 0.00 C ATOM 529 OG1 THR A 36 -4.058 13.113 11.360 1.00 0.00 O ATOM 530 CG2 THR A 36 -2.619 12.298 9.634 1.00 0.00 C ATOM 0 H THR A 36 -3.942 11.158 12.404 1.00 0.00 H new ATOM 0 HA THR A 36 -1.083 11.640 11.748 1.00 0.00 H new ATOM 0 HB THR A 36 -2.150 13.864 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.429 13.833 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.065 12.979 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.577 12.119 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.162 11.353 9.627 1.00 0.00 H new ATOM 538 N GLN A 37 -2.122 11.986 14.515 1.00 0.00 N ATOM 539 CA GLN A 37 -2.085 12.558 15.851 1.00 0.00 C ATOM 540 C GLN A 37 -0.678 13.077 16.167 1.00 0.00 C ATOM 541 O GLN A 37 0.243 12.293 16.390 1.00 0.00 O ATOM 542 CB GLN A 37 -2.556 11.502 16.863 1.00 0.00 C ATOM 543 CG GLN A 37 -2.688 12.082 18.279 1.00 0.00 C ATOM 544 CD GLN A 37 -3.231 11.062 19.277 1.00 0.00 C ATOM 545 OE1 GLN A 37 -3.400 9.889 18.962 1.00 0.00 O ATOM 546 NE2 GLN A 37 -3.513 11.500 20.500 1.00 0.00 N ATOM 0 H GLN A 37 -2.357 10.994 14.502 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.759 13.412 15.913 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.517 11.099 16.545 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.850 10.671 16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.713 12.434 18.617 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.348 12.949 18.254 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.364 12.481 20.738 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.879 10.855 21.201 1.00 0.00 H new ATOM 555 N GLY A 38 -0.503 14.401 16.189 1.00 0.00 N ATOM 556 CA GLY A 38 0.755 15.036 16.562 1.00 0.00 C ATOM 557 C GLY A 38 1.765 15.014 15.415 1.00 0.00 C ATOM 558 O GLY A 38 2.326 16.050 15.062 1.00 0.00 O ATOM 0 H GLY A 38 -1.239 15.064 15.946 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.567 16.067 16.861 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.177 14.525 17.428 1.00 0.00 H new ATOM 562 N LYS A 39 2.008 13.838 14.835 1.00 0.00 N ATOM 563 CA LYS A 39 2.846 13.671 13.660 1.00 0.00 C ATOM 564 C LYS A 39 2.126 12.777 12.652 1.00 0.00 C ATOM 565 O LYS A 39 1.194 12.055 13.001 1.00 0.00 O ATOM 566 CB LYS A 39 4.211 13.099 14.056 1.00 0.00 C ATOM 567 CG LYS A 39 4.937 14.023 15.045 1.00 0.00 C ATOM 568 CD LYS A 39 6.421 13.663 15.201 1.00 0.00 C ATOM 569 CE LYS A 39 6.616 12.249 15.758 1.00 0.00 C ATOM 570 NZ LYS A 39 8.039 11.972 16.026 1.00 0.00 N ATOM 0 H LYS A 39 1.617 12.961 15.180 1.00 0.00 H new ATOM 0 HA LYS A 39 3.026 14.639 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.079 12.114 14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.824 12.964 13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.850 15.055 14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.448 13.966 16.017 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.916 13.742 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.900 14.383 15.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.041 12.135 16.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.228 11.519 15.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.140 11.008 16.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.582 12.058 15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.400 12.655 16.722 1.00 0.00 H new ATOM 584 N CYS A 40 2.564 12.849 11.396 1.00 0.00 N ATOM 585 CA CYS A 40 2.070 12.032 10.297 1.00 0.00 C ATOM 586 C CYS A 40 2.949 10.785 10.196 1.00 0.00 C ATOM 587 O CYS A 40 4.121 10.824 10.569 1.00 0.00 O ATOM 588 CB CYS A 40 2.117 12.861 9.006 1.00 0.00 C ATOM 589 SG CYS A 40 0.649 13.873 8.692 1.00 0.00 S ATOM 0 H CYS A 40 3.296 13.499 11.110 1.00 0.00 H new ATOM 0 HA CYS A 40 1.039 11.720 10.463 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.989 13.514 9.043 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.261 12.185 8.163 1.00 0.00 H new ATOM 594 N LYS A 41 2.398 9.672 9.697 1.00 0.00 N ATOM 595 CA LYS A 41 3.189 8.476 9.410 1.00 0.00 C ATOM 596 C LYS A 41 4.324 8.838 8.446 1.00 0.00 C ATOM 597 O LYS A 41 4.137 9.717 7.611 1.00 0.00 O ATOM 598 CB LYS A 41 2.298 7.379 8.805 1.00 0.00 C ATOM 599 CG LYS A 41 1.702 6.443 9.863 1.00 0.00 C ATOM 600 CD LYS A 41 0.921 7.187 10.950 1.00 0.00 C ATOM 601 CE LYS A 41 0.314 6.184 11.931 1.00 0.00 C ATOM 602 NZ LYS A 41 -0.306 6.874 13.075 1.00 0.00 N ATOM 0 H LYS A 41 1.405 9.578 9.484 1.00 0.00 H new ATOM 0 HA LYS A 41 3.615 8.094 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.489 7.845 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.883 6.793 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.041 5.726 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.505 5.871 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.582 7.873 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.133 7.789 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.433 5.576 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.088 5.504 12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.011 6.250 13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.426 7.117 13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.772 7.743 12.745 1.00 0.00 H new ATOM 616 N PRO A 42 5.490 8.181 8.532 1.00 0.00 N ATOM 617 CA PRO A 42 6.667 8.564 7.770 1.00 0.00 C ATOM 618 C PRO A 42 6.460 8.380 6.263 1.00 0.00 C ATOM 619 O PRO A 42 6.664 9.320 5.495 1.00 0.00 O ATOM 620 CB PRO A 42 7.811 7.709 8.327 1.00 0.00 C ATOM 621 CG PRO A 42 7.112 6.495 8.942 1.00 0.00 C ATOM 622 CD PRO A 42 5.784 7.075 9.428 1.00 0.00 C ATOM 0 HA PRO A 42 6.891 9.625 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.505 7.412 7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.389 8.255 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.962 5.701 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.690 6.068 9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.994 6.325 9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.860 7.416 10.460 1.00 0.00 H new ATOM 630 N VAL A 43 6.069 7.170 5.845 1.00 0.00 N ATOM 631 CA VAL A 43 5.918 6.764 4.452 1.00 0.00 C ATOM 632 C VAL A 43 4.793 5.726 4.384 1.00 0.00 C ATOM 633 O VAL A 43 4.647 4.951 5.331 1.00 0.00 O ATOM 634 CB VAL A 43 7.238 6.166 3.920 1.00 0.00 C ATOM 635 CG1 VAL A 43 7.137 5.799 2.432 1.00 0.00 C ATOM 636 CG2 VAL A 43 8.446 7.095 4.113 1.00 0.00 C ATOM 0 H VAL A 43 5.841 6.421 6.498 1.00 0.00 H new ATOM 0 HA VAL A 43 5.672 7.626 3.832 1.00 0.00 H new ATOM 0 HB VAL A 43 7.398 5.267 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.086 5.381 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.346 5.062 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.907 6.693 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.341 6.615 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.273 8.032 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.582 7.299 5.175 1.00 0.00 H new ATOM 646 N ASN A 44 4.022 5.683 3.291 1.00 0.00 N ATOM 647 CA ASN A 44 3.101 4.582 3.012 1.00 0.00 C ATOM 648 C ASN A 44 2.876 4.446 1.509 1.00 0.00 C ATOM 649 O ASN A 44 2.757 5.449 0.807 1.00 0.00 O ATOM 650 CB ASN A 44 1.769 4.721 3.774 1.00 0.00 C ATOM 651 CG ASN A 44 0.672 5.462 3.004 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.490 6.663 3.170 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.102 4.754 2.184 1.00 0.00 N ATOM 0 H ASN A 44 4.021 6.412 2.577 1.00 0.00 H new ATOM 0 HA ASN A 44 3.565 3.666 3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.406 3.726 4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.954 5.245 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.863 5.210 1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.066 3.756 2.060 1.00 0.00 H new ATOM 660 N THR A 45 2.803 3.211 1.011 1.00 0.00 N ATOM 661 CA THR A 45 2.367 2.945 -0.350 1.00 0.00 C ATOM 662 C THR A 45 0.842 2.970 -0.388 1.00 0.00 C ATOM 663 O THR A 45 0.195 2.529 0.563 1.00 0.00 O ATOM 664 CB THR A 45 2.910 1.593 -0.829 1.00 0.00 C ATOM 665 OG1 THR A 45 4.279 1.491 -0.497 1.00 0.00 O ATOM 666 CG2 THR A 45 2.729 1.383 -2.335 1.00 0.00 C ATOM 0 H THR A 45 3.044 2.374 1.541 1.00 0.00 H new ATOM 0 HA THR A 45 2.755 3.710 -1.022 1.00 0.00 H new ATOM 0 HB THR A 45 2.335 0.816 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.789 2.157 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.131 0.410 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.668 1.423 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.258 2.166 -2.878 1.00 0.00 H new ATOM 674 N PHE A 46 0.291 3.485 -1.486 1.00 0.00 N ATOM 675 CA PHE A 46 -1.104 3.374 -1.862 1.00 0.00 C ATOM 676 C PHE A 46 -1.108 2.646 -3.204 1.00 0.00 C ATOM 677 O PHE A 46 -0.956 3.254 -4.265 1.00 0.00 O ATOM 678 CB PHE A 46 -1.777 4.751 -1.933 1.00 0.00 C ATOM 679 CG PHE A 46 -2.411 5.203 -0.630 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.448 4.438 -0.063 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.989 6.389 0.004 1.00 0.00 C ATOM 682 CE1 PHE A 46 -4.008 4.810 1.170 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.564 6.772 1.229 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.552 5.967 1.825 1.00 0.00 C ATOM 0 H PHE A 46 0.837 4.015 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.683 2.822 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.036 5.490 -2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.543 4.729 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.814 3.562 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.225 7.003 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.787 4.208 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.247 7.684 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.961 6.238 2.787 1.00 0.00 H new ATOM 694 N VAL A 47 -1.229 1.322 -3.137 1.00 0.00 N ATOM 695 CA VAL A 47 -1.269 0.451 -4.295 1.00 0.00 C ATOM 696 C VAL A 47 -2.486 0.795 -5.164 1.00 0.00 C ATOM 697 O VAL A 47 -3.484 1.360 -4.706 1.00 0.00 O ATOM 698 CB VAL A 47 -1.211 -1.022 -3.833 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.372 -2.030 -4.982 1.00 0.00 C ATOM 700 CG2 VAL A 47 0.133 -1.303 -3.143 1.00 0.00 C ATOM 0 H VAL A 47 -1.303 0.820 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.398 0.605 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.049 -1.153 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.321 -3.044 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.336 -1.878 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.573 -1.884 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.166 -2.344 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.948 -1.114 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.240 -0.651 -2.276 1.00 0.00 H new ATOM 710 N HIS A 48 -2.370 0.451 -6.444 1.00 0.00 N ATOM 711 CA HIS A 48 -3.308 0.721 -7.511 1.00 0.00 C ATOM 712 C HIS A 48 -3.547 -0.613 -8.198 1.00 0.00 C ATOM 713 O HIS A 48 -2.765 -0.988 -9.059 1.00 0.00 O ATOM 714 CB HIS A 48 -2.645 1.730 -8.459 1.00 0.00 C ATOM 715 CG HIS A 48 -3.385 2.074 -9.728 1.00 0.00 C ATOM 716 ND1 HIS A 48 -2.901 2.946 -10.681 1.00 0.00 N ATOM 717 CD2 HIS A 48 -4.630 1.662 -10.122 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.833 3.069 -11.641 1.00 0.00 C ATOM 719 NE2 HIS A 48 -4.892 2.299 -11.320 1.00 0.00 N ATOM 0 H HIS A 48 -1.554 -0.062 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.255 1.139 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.477 2.654 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.665 1.341 -8.735 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.995 3.415 -10.661 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.279 0.975 -9.600 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.748 3.684 -12.525 1.00 0.00 H new ATOM 728 N GLU A 49 -4.583 -1.348 -7.798 1.00 0.00 N ATOM 729 CA GLU A 49 -4.978 -2.600 -8.421 1.00 0.00 C ATOM 730 C GLU A 49 -6.462 -2.808 -8.123 1.00 0.00 C ATOM 731 O GLU A 49 -7.010 -2.137 -7.247 1.00 0.00 O ATOM 732 CB GLU A 49 -4.159 -3.769 -7.843 1.00 0.00 C ATOM 733 CG GLU A 49 -2.726 -3.874 -8.398 1.00 0.00 C ATOM 734 CD GLU A 49 -2.054 -5.223 -8.133 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.790 -6.223 -7.988 1.00 0.00 O ATOM 736 OE2 GLU A 49 -0.803 -5.237 -8.101 1.00 0.00 O ATOM 0 H GLU A 49 -5.180 -1.080 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.798 -2.564 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.110 -3.662 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.685 -4.702 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.750 -3.696 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.118 -3.084 -7.958 1.00 0.00 H new ATOM 743 N SER A 50 -7.109 -3.727 -8.845 1.00 0.00 N ATOM 744 CA SER A 50 -8.410 -4.241 -8.446 1.00 0.00 C ATOM 745 C SER A 50 -8.150 -5.348 -7.426 1.00 0.00 C ATOM 746 O SER A 50 -7.148 -6.060 -7.530 1.00 0.00 O ATOM 747 CB SER A 50 -9.181 -4.790 -9.654 1.00 0.00 C ATOM 748 OG SER A 50 -10.374 -5.423 -9.224 1.00 0.00 O ATOM 0 H SER A 50 -6.747 -4.128 -9.710 1.00 0.00 H new ATOM 0 HA SER A 50 -9.022 -3.447 -8.017 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.418 -3.979 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.560 -5.500 -10.200 1.00 0.00 H new ATOM 0 HG SER A 50 -10.860 -5.768 -10.002 1.00 0.00 H new ATOM 754 N LEU A 51 -9.072 -5.534 -6.479 1.00 0.00 N ATOM 755 CA LEU A 51 -9.025 -6.652 -5.548 1.00 0.00 C ATOM 756 C LEU A 51 -8.822 -7.960 -6.315 1.00 0.00 C ATOM 757 O LEU A 51 -8.041 -8.807 -5.895 1.00 0.00 O ATOM 758 CB LEU A 51 -10.315 -6.682 -4.716 1.00 0.00 C ATOM 759 CG LEU A 51 -10.396 -7.860 -3.728 1.00 0.00 C ATOM 760 CD1 LEU A 51 -9.217 -7.888 -2.747 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.706 -7.755 -2.938 1.00 0.00 C ATOM 0 H LEU A 51 -9.869 -4.912 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.183 -6.531 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.398 -5.748 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.170 -6.728 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.359 -8.782 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.324 -8.738 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.284 -7.981 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.204 -6.965 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.774 -8.585 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.726 -6.813 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.550 -7.793 -3.627 1.00 0.00 H new ATOM 773 N ALA A 52 -9.487 -8.107 -7.467 1.00 0.00 N ATOM 774 CA ALA A 52 -9.326 -9.269 -8.326 1.00 0.00 C ATOM 775 C ALA A 52 -7.860 -9.481 -8.708 1.00 0.00 C ATOM 776 O ALA A 52 -7.345 -10.596 -8.615 1.00 0.00 O ATOM 777 CB ALA A 52 -10.201 -9.115 -9.572 1.00 0.00 C ATOM 0 H ALA A 52 -10.150 -7.419 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.647 -10.154 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.078 -9.988 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.246 -9.028 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.903 -8.219 -10.117 1.00 0.00 H new ATOM 783 N ASP A 53 -7.181 -8.407 -9.121 1.00 0.00 N ATOM 784 CA ASP A 53 -5.777 -8.479 -9.489 1.00 0.00 C ATOM 785 C ASP A 53 -4.980 -8.911 -8.266 1.00 0.00 C ATOM 786 O ASP A 53 -4.168 -9.824 -8.353 1.00 0.00 O ATOM 787 CB ASP A 53 -5.245 -7.130 -9.984 1.00 0.00 C ATOM 788 CG ASP A 53 -6.034 -6.502 -11.122 1.00 0.00 C ATOM 789 OD1 ASP A 53 -6.440 -7.253 -12.034 1.00 0.00 O ATOM 790 OD2 ASP A 53 -6.224 -5.267 -11.047 1.00 0.00 O ATOM 0 H ASP A 53 -7.589 -7.476 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.671 -9.196 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.230 -6.434 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.213 -7.261 -10.308 1.00 0.00 H new ATOM 795 N VAL A 54 -5.220 -8.268 -7.120 1.00 0.00 N ATOM 796 CA VAL A 54 -4.461 -8.569 -5.912 1.00 0.00 C ATOM 797 C VAL A 54 -4.660 -10.044 -5.535 1.00 0.00 C ATOM 798 O VAL A 54 -3.717 -10.726 -5.140 1.00 0.00 O ATOM 799 CB VAL A 54 -4.849 -7.622 -4.765 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.106 -7.993 -3.477 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.518 -6.166 -5.108 1.00 0.00 C ATOM 0 H VAL A 54 -5.928 -7.543 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.400 -8.407 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.924 -7.726 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.397 -7.309 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.361 -9.013 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.031 -7.921 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.805 -5.522 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.448 -6.069 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.066 -5.869 -6.002 1.00 0.00 H new ATOM 811 N LYS A 55 -5.885 -10.558 -5.655 1.00 0.00 N ATOM 812 CA LYS A 55 -6.145 -11.956 -5.361 1.00 0.00 C ATOM 813 C LYS A 55 -5.422 -12.866 -6.351 1.00 0.00 C ATOM 814 O LYS A 55 -4.822 -13.860 -5.942 1.00 0.00 O ATOM 815 CB LYS A 55 -7.656 -12.243 -5.302 1.00 0.00 C ATOM 816 CG LYS A 55 -8.067 -12.998 -4.029 1.00 0.00 C ATOM 817 CD LYS A 55 -7.386 -14.363 -3.842 1.00 0.00 C ATOM 818 CE LYS A 55 -7.687 -15.340 -4.986 1.00 0.00 C ATOM 819 NZ LYS A 55 -7.061 -16.651 -4.740 1.00 0.00 N ATOM 0 H LYS A 55 -6.703 -10.026 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.744 -12.176 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.203 -11.301 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.945 -12.828 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.842 -12.374 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.147 -13.145 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.308 -14.219 -3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.715 -14.802 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.765 -15.462 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.320 -14.929 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.280 -17.293 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.030 -16.535 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.431 -17.051 -3.854 1.00 0.00 H new ATOM 833 N ALA A 56 -5.455 -12.533 -7.646 1.00 0.00 N ATOM 834 CA ALA A 56 -4.672 -13.263 -8.634 1.00 0.00 C ATOM 835 C ALA A 56 -3.207 -13.299 -8.194 1.00 0.00 C ATOM 836 O ALA A 56 -2.660 -14.376 -7.983 1.00 0.00 O ATOM 837 CB ALA A 56 -4.851 -12.657 -10.029 1.00 0.00 C ATOM 0 H ALA A 56 -6.012 -11.768 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.029 -14.291 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.257 -13.219 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.902 -12.702 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.522 -11.618 -10.019 1.00 0.00 H new ATOM 843 N VAL A 57 -2.601 -12.123 -7.991 1.00 0.00 N ATOM 844 CA VAL A 57 -1.246 -11.940 -7.475 1.00 0.00 C ATOM 845 C VAL A 57 -0.979 -12.878 -6.294 1.00 0.00 C ATOM 846 O VAL A 57 0.001 -13.624 -6.294 1.00 0.00 O ATOM 847 CB VAL A 57 -1.033 -10.464 -7.097 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.269 -10.239 -6.315 1.00 0.00 C ATOM 849 CG2 VAL A 57 -0.991 -9.577 -8.350 1.00 0.00 C ATOM 0 H VAL A 57 -3.065 -11.237 -8.192 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.527 -12.200 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.878 -10.194 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.370 -9.181 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.245 -10.821 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.117 -10.555 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.840 -8.538 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.171 -9.895 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.933 -9.667 -8.891 1.00 0.00 H new ATOM 859 N CYS A 58 -1.875 -12.859 -5.304 1.00 0.00 N ATOM 860 CA CYS A 58 -1.774 -13.631 -4.071 1.00 0.00 C ATOM 861 C CYS A 58 -1.656 -15.139 -4.318 1.00 0.00 C ATOM 862 O CYS A 58 -1.230 -15.874 -3.431 1.00 0.00 O ATOM 863 CB CYS A 58 -2.983 -13.323 -3.185 1.00 0.00 C ATOM 864 SG CYS A 58 -2.925 -14.015 -1.521 1.00 0.00 S ATOM 0 H CYS A 58 -2.717 -12.285 -5.344 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.854 -13.333 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.087 -12.241 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.879 -13.694 -3.682 1.00 0.00 H new ATOM 869 N SER A 59 -2.009 -15.612 -5.520 1.00 0.00 N ATOM 870 CA SER A 59 -1.761 -16.985 -5.944 1.00 0.00 C ATOM 871 C SER A 59 -1.200 -17.018 -7.374 1.00 0.00 C ATOM 872 O SER A 59 -1.555 -17.892 -8.162 1.00 0.00 O ATOM 873 CB SER A 59 -3.056 -17.796 -5.791 1.00 0.00 C ATOM 874 OG SER A 59 -2.770 -19.175 -5.646 1.00 0.00 O ATOM 0 H SER A 59 -2.478 -15.044 -6.226 1.00 0.00 H new ATOM 0 HA SER A 59 -1.002 -17.444 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.612 -17.442 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.693 -17.641 -6.662 1.00 0.00 H new ATOM 0 HG SER A 59 -3.608 -19.674 -5.548 1.00 0.00 H new ATOM 880 N GLN A 60 -0.322 -16.068 -7.716 1.00 0.00 N ATOM 881 CA GLN A 60 0.275 -15.962 -9.044 1.00 0.00 C ATOM 882 C GLN A 60 1.687 -16.524 -9.016 1.00 0.00 C ATOM 883 O GLN A 60 1.978 -17.531 -9.657 1.00 0.00 O ATOM 884 CB GLN A 60 0.263 -14.497 -9.495 1.00 0.00 C ATOM 885 CG GLN A 60 0.898 -14.257 -10.868 1.00 0.00 C ATOM 886 CD GLN A 60 0.561 -12.855 -11.362 1.00 0.00 C ATOM 887 OE1 GLN A 60 0.833 -11.836 -10.552 1.00 0.00 O flip ATOM 888 NE2 GLN A 60 0.038 -12.680 -12.457 1.00 0.00 N flip ATOM 0 H GLN A 60 -0.006 -15.346 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.305 -16.543 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.768 -14.144 -9.517 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.790 -13.896 -8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.979 -14.378 -10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.536 -14.999 -11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.161 -13.478 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.198 -11.737 -12.764 1.00 0.00 H new ATOM 897 N LYS A 61 2.573 -15.838 -8.296 1.00 0.00 N ATOM 898 CA LYS A 61 3.987 -16.158 -8.253 1.00 0.00 C ATOM 899 C LYS A 61 4.480 -15.946 -6.835 1.00 0.00 C ATOM 900 O LYS A 61 4.956 -14.868 -6.472 1.00 0.00 O ATOM 901 CB LYS A 61 4.712 -15.260 -9.252 1.00 0.00 C ATOM 902 CG LYS A 61 6.233 -15.449 -9.333 1.00 0.00 C ATOM 903 CD LYS A 61 6.610 -16.803 -9.951 1.00 0.00 C ATOM 904 CE LYS A 61 8.130 -16.963 -10.054 1.00 0.00 C ATOM 905 NZ LYS A 61 8.762 -17.023 -8.723 1.00 0.00 N ATOM 0 H LYS A 61 2.319 -15.035 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 61 4.178 -17.195 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.289 -15.433 -10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.506 -14.221 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.667 -14.645 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.662 -15.374 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.197 -17.609 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.165 -16.889 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.364 -17.871 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.547 -16.128 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.745 -17.348 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.751 -16.077 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.236 -17.686 -8.118 1.00 0.00 H new ATOM 919 N LYS A 62 4.390 -17.022 -6.060 1.00 0.00 N ATOM 920 CA LYS A 62 4.987 -17.091 -4.739 1.00 0.00 C ATOM 921 C LYS A 62 6.500 -16.859 -4.839 1.00 0.00 C ATOM 922 O LYS A 62 7.155 -17.436 -5.707 1.00 0.00 O ATOM 923 CB LYS A 62 4.703 -18.461 -4.109 1.00 0.00 C ATOM 924 CG LYS A 62 4.956 -18.442 -2.591 1.00 0.00 C ATOM 925 CD LYS A 62 5.454 -19.793 -2.059 1.00 0.00 C ATOM 926 CE LYS A 62 6.989 -19.890 -2.045 1.00 0.00 C ATOM 927 NZ LYS A 62 7.582 -19.799 -3.392 1.00 0.00 N ATOM 0 H LYS A 62 3.898 -17.872 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 62 4.552 -16.316 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.669 -18.746 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.335 -19.216 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.690 -17.671 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.035 -18.170 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.074 -19.944 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.048 -20.595 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.393 -19.093 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.284 -20.834 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.536 -20.213 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.987 -20.318 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.642 -18.801 -3.678 1.00 0.00 H new ATOM 941 N VAL A 63 7.058 -16.068 -3.923 1.00 0.00 N ATOM 942 CA VAL A 63 8.488 -15.922 -3.705 1.00 0.00 C ATOM 943 C VAL A 63 8.711 -15.881 -2.192 1.00 0.00 C ATOM 944 O VAL A 63 7.799 -15.543 -1.441 1.00 0.00 O ATOM 945 CB VAL A 63 9.044 -14.668 -4.410 1.00 0.00 C ATOM 946 CG1 VAL A 63 8.910 -14.779 -5.932 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.378 -13.366 -3.944 1.00 0.00 C ATOM 0 H VAL A 63 6.502 -15.492 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 63 9.030 -16.762 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 63 10.097 -14.624 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.311 -13.879 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.465 -15.649 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.859 -14.888 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.815 -12.522 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.308 -13.411 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.537 -13.239 -2.873 1.00 0.00 H new ATOM 957 N THR A 64 9.901 -16.242 -1.720 1.00 0.00 N ATOM 958 CA THR A 64 10.221 -16.140 -0.305 1.00 0.00 C ATOM 959 C THR A 64 10.375 -14.661 0.056 1.00 0.00 C ATOM 960 O THR A 64 11.097 -13.943 -0.635 1.00 0.00 O ATOM 961 CB THR A 64 11.512 -16.916 -0.028 1.00 0.00 C ATOM 962 OG1 THR A 64 11.562 -18.070 -0.848 1.00 0.00 O ATOM 963 CG2 THR A 64 11.596 -17.328 1.443 1.00 0.00 C ATOM 0 H THR A 64 10.657 -16.607 -2.299 1.00 0.00 H new ATOM 0 HA THR A 64 9.426 -16.568 0.306 1.00 0.00 H new ATOM 0 HB THR A 64 12.358 -16.267 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.390 -18.563 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.522 -17.878 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.581 -16.438 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.746 -17.963 1.692 1.00 0.00 H new ATOM 971 N CYS A 65 9.721 -14.186 1.120 1.00 0.00 N ATOM 972 CA CYS A 65 9.978 -12.846 1.614 1.00 0.00 C ATOM 973 C CYS A 65 11.408 -12.760 2.143 1.00 0.00 C ATOM 974 O CYS A 65 12.018 -13.774 2.481 1.00 0.00 O ATOM 975 CB CYS A 65 9.001 -12.493 2.734 1.00 0.00 C ATOM 976 SG CYS A 65 7.246 -12.371 2.322 1.00 0.00 S ATOM 0 H CYS A 65 9.019 -14.708 1.645 1.00 0.00 H new ATOM 0 HA CYS A 65 9.845 -12.140 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 65 9.108 -13.242 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 65 9.311 -11.539 3.159 1.00 0.00 H new ATOM 981 N LYS A 66 11.938 -11.539 2.248 1.00 0.00 N ATOM 982 CA LYS A 66 13.331 -11.310 2.624 1.00 0.00 C ATOM 983 C LYS A 66 13.666 -11.901 4.001 1.00 0.00 C ATOM 984 O LYS A 66 14.806 -12.284 4.251 1.00 0.00 O ATOM 985 CB LYS A 66 13.670 -9.810 2.545 1.00 0.00 C ATOM 986 CG LYS A 66 14.897 -9.541 1.661 1.00 0.00 C ATOM 987 CD LYS A 66 16.184 -10.142 2.247 1.00 0.00 C ATOM 988 CE LYS A 66 17.405 -9.843 1.370 1.00 0.00 C ATOM 989 NZ LYS A 66 17.307 -10.497 0.053 1.00 0.00 N ATOM 0 H LYS A 66 11.412 -10.683 2.074 1.00 0.00 H new ATOM 0 HA LYS A 66 13.959 -11.838 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.813 -9.265 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.856 -9.427 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.724 -9.957 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.024 -8.465 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.349 -9.742 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 66 16.067 -11.221 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.500 -8.766 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.308 -10.181 1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.211 -10.399 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.089 -11.506 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.551 -10.048 -0.502 1.00 0.00 H new ATOM 1003 N ASP A 67 12.672 -12.003 4.892 1.00 0.00 N ATOM 1004 CA ASP A 67 12.841 -12.632 6.199 1.00 0.00 C ATOM 1005 C ASP A 67 13.168 -14.130 6.115 1.00 0.00 C ATOM 1006 O ASP A 67 13.522 -14.728 7.126 1.00 0.00 O ATOM 1007 CB ASP A 67 11.621 -12.361 7.095 1.00 0.00 C ATOM 1008 CG ASP A 67 10.308 -13.001 6.641 1.00 0.00 C ATOM 1009 OD1 ASP A 67 10.339 -13.838 5.709 1.00 0.00 O ATOM 1010 OD2 ASP A 67 9.278 -12.634 7.243 1.00 0.00 O ATOM 0 H ASP A 67 11.730 -11.651 4.723 1.00 0.00 H new ATOM 0 HA ASP A 67 13.714 -12.170 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.847 -12.714 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.474 -11.283 7.161 1.00 0.00 H new ATOM 1015 N GLY A 68 13.028 -14.752 4.939 1.00 0.00 N ATOM 1016 CA GLY A 68 13.304 -16.167 4.755 1.00 0.00 C ATOM 1017 C GLY A 68 12.280 -17.047 5.473 1.00 0.00 C ATOM 1018 O GLY A 68 12.591 -18.185 5.816 1.00 0.00 O ATOM 0 H GLY A 68 12.719 -14.280 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.301 -16.402 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.303 -16.393 5.129 1.00 0.00 H new ATOM 1022 N GLN A 69 11.067 -16.528 5.697 1.00 0.00 N ATOM 1023 CA GLN A 69 10.012 -17.210 6.429 1.00 0.00 C ATOM 1024 C GLN A 69 8.717 -17.195 5.622 1.00 0.00 C ATOM 1025 O GLN A 69 8.181 -18.246 5.280 1.00 0.00 O ATOM 1026 CB GLN A 69 9.826 -16.534 7.795 1.00 0.00 C ATOM 1027 CG GLN A 69 8.866 -17.320 8.699 1.00 0.00 C ATOM 1028 CD GLN A 69 8.681 -16.661 10.063 1.00 0.00 C ATOM 1029 OE1 GLN A 69 9.072 -15.518 10.277 1.00 0.00 O ATOM 1030 NE2 GLN A 69 8.071 -17.373 11.006 1.00 0.00 N ATOM 0 H GLN A 69 10.794 -15.603 5.365 1.00 0.00 H new ATOM 0 HA GLN A 69 10.289 -18.252 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.794 -16.440 8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.443 -15.524 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.898 -17.408 8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.247 -18.332 8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.755 -18.322 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.919 -16.971 11.931 1.00 0.00 H new ATOM 1039 N THR A 70 8.181 -16.003 5.363 1.00 0.00 N ATOM 1040 CA THR A 70 6.858 -15.834 4.817 1.00 0.00 C ATOM 1041 C THR A 70 6.853 -15.960 3.294 1.00 0.00 C ATOM 1042 O THR A 70 7.849 -15.744 2.600 1.00 0.00 O ATOM 1043 CB THR A 70 6.304 -14.491 5.310 1.00 0.00 C ATOM 1044 OG1 THR A 70 7.340 -13.533 5.278 1.00 0.00 O ATOM 1045 CG2 THR A 70 5.819 -14.610 6.758 1.00 0.00 C ATOM 0 H THR A 70 8.669 -15.124 5.533 1.00 0.00 H new ATOM 0 HA THR A 70 6.204 -16.632 5.167 1.00 0.00 H new ATOM 0 HB THR A 70 5.473 -14.198 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.279 -13.013 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.429 -13.648 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.031 -15.361 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.651 -14.906 7.397 1.00 0.00 H new ATOM 1053 N ASN A 71 5.675 -16.331 2.807 1.00 0.00 N ATOM 1054 CA ASN A 71 5.292 -16.462 1.415 1.00 0.00 C ATOM 1055 C ASN A 71 4.933 -15.082 0.869 1.00 0.00 C ATOM 1056 O ASN A 71 3.820 -14.589 1.057 1.00 0.00 O ATOM 1057 CB ASN A 71 4.127 -17.462 1.265 1.00 0.00 C ATOM 1058 CG ASN A 71 2.928 -17.184 2.180 1.00 0.00 C ATOM 1059 OD1 ASN A 71 3.098 -16.851 3.350 1.00 0.00 O ATOM 1060 ND2 ASN A 71 1.708 -17.364 1.685 1.00 0.00 N ATOM 0 H ASN A 71 4.903 -16.566 3.431 1.00 0.00 H new ATOM 0 HA ASN A 71 6.125 -16.859 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.787 -17.452 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.498 -18.466 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.891 -17.226 2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.589 -17.641 0.710 1.00 0.00 H new ATOM 1067 N CYS A 72 5.897 -14.460 0.193 1.00 0.00 N ATOM 1068 CA CYS A 72 5.672 -13.262 -0.595 1.00 0.00 C ATOM 1069 C CYS A 72 5.082 -13.676 -1.939 1.00 0.00 C ATOM 1070 O CYS A 72 5.118 -14.853 -2.295 1.00 0.00 O ATOM 1071 CB CYS A 72 6.960 -12.437 -0.727 1.00 0.00 C ATOM 1072 SG CYS A 72 7.185 -11.221 0.590 1.00 0.00 S ATOM 0 H CYS A 72 6.865 -14.782 0.180 1.00 0.00 H new ATOM 0 HA CYS A 72 4.959 -12.605 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 72 7.815 -13.114 -0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.954 -11.922 -1.687 1.00 0.00 H new ATOM 1077 N TYR A 73 4.512 -12.723 -2.678 1.00 0.00 N ATOM 1078 CA TYR A 73 3.939 -12.936 -3.994 1.00 0.00 C ATOM 1079 C TYR A 73 4.305 -11.761 -4.883 1.00 0.00 C ATOM 1080 O TYR A 73 3.961 -10.622 -4.561 1.00 0.00 O ATOM 1081 CB TYR A 73 2.418 -13.077 -3.925 1.00 0.00 C ATOM 1082 CG TYR A 73 1.966 -14.326 -3.207 1.00 0.00 C ATOM 1083 CD1 TYR A 73 1.851 -15.540 -3.908 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.841 -14.305 -1.809 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.633 -16.738 -3.205 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.638 -15.503 -1.109 1.00 0.00 C ATOM 1087 CZ TYR A 73 1.511 -16.713 -1.805 1.00 0.00 C ATOM 1088 OH TYR A 73 1.364 -17.873 -1.102 1.00 0.00 O ATOM 0 H TYR A 73 4.438 -11.756 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 73 4.340 -13.863 -4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.002 -12.205 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.014 -13.082 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.930 -15.552 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.901 -13.369 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.560 -17.674 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.579 -15.493 -0.031 1.00 0.00 H new ATOM 0 HH TYR A 73 1.817 -18.602 -1.575 1.00 0.00 H new ATOM 1098 N GLN A 74 5.016 -12.027 -5.980 1.00 0.00 N ATOM 1099 CA GLN A 74 5.261 -11.025 -6.999 1.00 0.00 C ATOM 1100 C GLN A 74 4.038 -10.805 -7.883 1.00 0.00 C ATOM 1101 O GLN A 74 3.315 -11.734 -8.247 1.00 0.00 O ATOM 1102 CB GLN A 74 6.504 -11.377 -7.820 1.00 0.00 C ATOM 1103 CG GLN A 74 6.610 -10.578 -9.127 1.00 0.00 C ATOM 1104 CD GLN A 74 7.938 -10.727 -9.852 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.831 -11.446 -9.418 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.068 -10.035 -10.980 1.00 0.00 N ATOM 0 H GLN A 74 5.432 -12.937 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 74 5.455 -10.078 -6.495 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.394 -11.195 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.489 -12.442 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.808 -10.892 -9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.447 -9.523 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.302 -9.447 -11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.934 -10.092 -11.516 1.00 0.00 H new ATOM 1115 N SER A 75 3.887 -9.550 -8.291 1.00 0.00 N ATOM 1116 CA SER A 75 3.015 -9.184 -9.390 1.00 0.00 C ATOM 1117 C SER A 75 3.808 -9.391 -10.678 1.00 0.00 C ATOM 1118 O SER A 75 4.805 -8.715 -10.918 1.00 0.00 O ATOM 1119 CB SER A 75 2.482 -7.758 -9.251 1.00 0.00 C ATOM 1120 OG SER A 75 1.668 -7.680 -8.097 1.00 0.00 O ATOM 0 H SER A 75 4.369 -8.759 -7.865 1.00 0.00 H new ATOM 0 HA SER A 75 2.124 -9.812 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.310 -7.053 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.908 -7.483 -10.136 1.00 0.00 H new ATOM 0 HG SER A 75 0.975 -7.000 -8.231 1.00 0.00 H new ATOM 1126 N LYS A 76 3.408 -10.370 -11.488 1.00 0.00 N ATOM 1127 CA LYS A 76 3.958 -10.572 -12.820 1.00 0.00 C ATOM 1128 C LYS A 76 3.783 -9.298 -13.637 1.00 0.00 C ATOM 1129 O LYS A 76 4.676 -8.908 -14.388 1.00 0.00 O ATOM 1130 CB LYS A 76 3.272 -11.792 -13.448 1.00 0.00 C ATOM 1131 CG LYS A 76 3.940 -12.262 -14.744 1.00 0.00 C ATOM 1132 CD LYS A 76 3.244 -13.541 -15.229 1.00 0.00 C ATOM 1133 CE LYS A 76 3.922 -14.138 -16.467 1.00 0.00 C ATOM 1134 NZ LYS A 76 3.838 -13.237 -17.631 1.00 0.00 N ATOM 0 H LYS A 76 2.689 -11.047 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 76 5.028 -10.777 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.273 -12.611 -12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.229 -11.549 -13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.873 -11.485 -15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.000 -12.451 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.244 -14.279 -14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.202 -13.320 -15.459 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.969 -14.344 -16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.454 -15.092 -16.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.248 -13.706 -18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.842 -13.006 -17.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.365 -12.363 -17.432 1.00 0.00 H new ATOM 1148 N SER A 77 2.640 -8.639 -13.466 1.00 0.00 N ATOM 1149 CA SER A 77 2.360 -7.357 -14.048 1.00 0.00 C ATOM 1150 C SER A 77 2.921 -6.227 -13.181 1.00 0.00 C ATOM 1151 O SER A 77 3.053 -6.341 -11.963 1.00 0.00 O ATOM 1152 CB SER A 77 0.837 -7.241 -14.187 1.00 0.00 C ATOM 1153 OG SER A 77 0.218 -7.865 -13.069 1.00 0.00 O ATOM 0 H SER A 77 1.872 -9.003 -12.902 1.00 0.00 H new ATOM 0 HA SER A 77 2.838 -7.269 -15.024 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.543 -6.193 -14.243 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.507 -7.714 -15.112 1.00 0.00 H new ATOM 0 HG SER A 77 0.688 -7.607 -12.249 1.00 0.00 H new ATOM 1159 N THR A 78 3.226 -5.116 -13.840 1.00 0.00 N ATOM 1160 CA THR A 78 3.543 -3.833 -13.244 1.00 0.00 C ATOM 1161 C THR A 78 2.228 -3.080 -13.033 1.00 0.00 C ATOM 1162 O THR A 78 1.233 -3.405 -13.683 1.00 0.00 O ATOM 1163 CB THR A 78 4.433 -3.098 -14.255 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.799 -3.109 -15.519 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.781 -3.807 -14.437 1.00 0.00 C ATOM 0 H THR A 78 3.259 -5.089 -14.859 1.00 0.00 H new ATOM 0 HA THR A 78 4.055 -3.922 -12.286 1.00 0.00 H new ATOM 0 HB THR A 78 4.592 -2.088 -13.879 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.361 -2.640 -16.171 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.386 -3.259 -15.160 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.304 -3.845 -13.481 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.613 -4.821 -14.799 1.00 0.00 H new ATOM 1173 N MET A 79 2.204 -2.077 -12.150 1.00 0.00 N ATOM 1174 CA MET A 79 1.088 -1.141 -12.093 1.00 0.00 C ATOM 1175 C MET A 79 1.567 0.187 -11.507 1.00 0.00 C ATOM 1176 O MET A 79 2.615 0.253 -10.866 1.00 0.00 O ATOM 1177 CB MET A 79 -0.136 -1.732 -11.360 1.00 0.00 C ATOM 1178 CG MET A 79 -1.451 -0.977 -11.632 1.00 0.00 C ATOM 1179 SD MET A 79 -1.898 -0.537 -13.333 1.00 0.00 S ATOM 1180 CE MET A 79 -2.085 -2.178 -14.063 1.00 0.00 C ATOM 0 H MET A 79 2.943 -1.897 -11.470 1.00 0.00 H new ATOM 0 HA MET A 79 0.734 -0.948 -13.106 1.00 0.00 H new ATOM 0 HB2 MET A 79 -0.258 -2.773 -11.658 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.058 -1.728 -10.287 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.263 -1.581 -11.228 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.422 -0.054 -11.054 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.701 -2.109 -14.960 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.104 -2.573 -14.326 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.563 -2.844 -13.344 1.00 0.00 H new ATOM 1190 N ARG A 80 0.814 1.246 -11.796 1.00 0.00 N ATOM 1191 CA ARG A 80 1.131 2.626 -11.475 1.00 0.00 C ATOM 1192 C ARG A 80 0.732 2.907 -10.026 1.00 0.00 C ATOM 1193 O ARG A 80 -0.334 3.469 -9.781 1.00 0.00 O ATOM 1194 CB ARG A 80 0.377 3.530 -12.463 1.00 0.00 C ATOM 1195 CG ARG A 80 0.730 3.220 -13.928 1.00 0.00 C ATOM 1196 CD ARG A 80 -0.202 3.975 -14.879 1.00 0.00 C ATOM 1197 NE ARG A 80 -1.566 3.432 -14.818 1.00 0.00 N ATOM 1198 CZ ARG A 80 -2.619 3.933 -15.480 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -2.478 5.023 -16.243 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -3.809 3.333 -15.378 1.00 0.00 N ATOM 0 H ARG A 80 -0.077 1.155 -12.285 1.00 0.00 H new ATOM 0 HA ARG A 80 2.199 2.823 -11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.696 3.408 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.611 4.573 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.765 3.501 -14.125 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.651 2.148 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.216 5.033 -14.617 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.177 3.904 -15.899 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.723 2.614 -14.229 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.567 5.476 -16.323 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.281 5.401 -16.745 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.912 2.499 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.614 3.709 -15.879 1.00 0.00 H new ATOM 1214 N ILE A 81 1.552 2.470 -9.069 1.00 0.00 N ATOM 1215 CA ILE A 81 1.248 2.564 -7.654 1.00 0.00 C ATOM 1216 C ILE A 81 1.698 3.912 -7.091 1.00 0.00 C ATOM 1217 O ILE A 81 2.671 4.491 -7.572 1.00 0.00 O ATOM 1218 CB ILE A 81 1.888 1.383 -6.911 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.419 1.322 -7.055 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.267 0.065 -7.394 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.059 0.610 -5.863 1.00 0.00 C ATOM 0 H ILE A 81 2.455 2.037 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 81 0.169 2.508 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 81 1.682 1.536 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.680 0.801 -7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.820 2.332 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.725 -0.769 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.195 0.075 -7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.439 -0.048 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.141 0.583 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.818 1.147 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.675 -0.408 -5.799 1.00 0.00 H new ATOM 1233 N THR A 82 1.002 4.406 -6.065 1.00 0.00 N ATOM 1234 CA THR A 82 1.303 5.673 -5.417 1.00 0.00 C ATOM 1235 C THR A 82 2.146 5.388 -4.169 1.00 0.00 C ATOM 1236 O THR A 82 1.977 4.345 -3.542 1.00 0.00 O ATOM 1237 CB THR A 82 -0.026 6.379 -5.104 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.781 6.494 -6.295 1.00 0.00 O ATOM 1239 CG2 THR A 82 0.172 7.779 -4.521 1.00 0.00 C ATOM 0 H THR A 82 0.200 3.924 -5.658 1.00 0.00 H new ATOM 0 HA THR A 82 1.884 6.339 -6.055 1.00 0.00 H new ATOM 0 HB THR A 82 -0.543 5.776 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.631 6.942 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.800 8.230 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.739 7.710 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.718 8.396 -5.235 1.00 0.00 H new ATOM 1247 N ASP A 83 3.054 6.296 -3.799 1.00 0.00 N ATOM 1248 CA ASP A 83 3.891 6.205 -2.613 1.00 0.00 C ATOM 1249 C ASP A 83 3.964 7.575 -1.954 1.00 0.00 C ATOM 1250 O ASP A 83 4.507 8.513 -2.532 1.00 0.00 O ATOM 1251 CB ASP A 83 5.287 5.673 -2.956 1.00 0.00 C ATOM 1252 CG ASP A 83 5.277 4.162 -3.154 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.353 3.455 -2.123 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.185 3.739 -4.327 1.00 0.00 O ATOM 0 H ASP A 83 3.228 7.143 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 83 3.449 5.495 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.649 6.157 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.982 5.932 -2.157 1.00 0.00 H new ATOM 1259 N CYS A 84 3.391 7.688 -0.757 1.00 0.00 N ATOM 1260 CA CYS A 84 3.235 8.938 -0.036 1.00 0.00 C ATOM 1261 C CYS A 84 4.233 9.041 1.117 1.00 0.00 C ATOM 1262 O CYS A 84 4.504 8.019 1.748 1.00 0.00 O ATOM 1263 CB CYS A 84 1.792 9.047 0.449 1.00 0.00 C ATOM 1264 SG CYS A 84 1.276 10.743 0.733 1.00 0.00 S ATOM 0 H CYS A 84 3.013 6.886 -0.252 1.00 0.00 H new ATOM 0 HA CYS A 84 3.449 9.774 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.131 8.590 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.681 8.479 1.373 1.00 0.00 H new ATOM 1269 N ARG A 85 4.808 10.224 1.392 1.00 0.00 N ATOM 1270 CA ARG A 85 5.816 10.379 2.438 1.00 0.00 C ATOM 1271 C ARG A 85 5.892 11.780 3.013 1.00 0.00 C ATOM 1272 O ARG A 85 5.569 12.745 2.339 1.00 0.00 O ATOM 1273 CB ARG A 85 7.209 9.992 1.939 1.00 0.00 C ATOM 1274 CG ARG A 85 7.702 10.636 0.634 1.00 0.00 C ATOM 1275 CD ARG A 85 8.736 11.742 0.909 1.00 0.00 C ATOM 1276 NE ARG A 85 9.443 12.161 -0.310 1.00 0.00 N ATOM 1277 CZ ARG A 85 10.374 11.438 -0.953 1.00 0.00 C ATOM 1278 NH1 ARG A 85 10.735 10.233 -0.497 1.00 0.00 N ATOM 1279 NH2 ARG A 85 10.949 11.932 -2.054 1.00 0.00 N ATOM 0 H ARG A 85 4.586 11.088 0.897 1.00 0.00 H new ATOM 0 HA ARG A 85 5.492 9.704 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.926 10.233 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.230 8.910 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.145 9.873 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.855 11.055 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.234 12.604 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.460 11.385 1.642 1.00 0.00 H new ATOM 0 HE ARG A 85 9.207 13.074 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.302 9.856 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.443 9.691 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.680 12.853 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.657 11.388 -2.547 1.00 0.00 H new ATOM 1293 N GLU A 86 6.375 11.909 4.247 1.00 0.00 N ATOM 1294 CA GLU A 86 6.700 13.207 4.816 1.00 0.00 C ATOM 1295 C GLU A 86 7.744 13.895 3.932 1.00 0.00 C ATOM 1296 O GLU A 86 8.894 13.468 3.917 1.00 0.00 O ATOM 1297 CB GLU A 86 7.195 13.014 6.254 1.00 0.00 C ATOM 1298 CG GLU A 86 6.028 12.584 7.157 1.00 0.00 C ATOM 1299 CD GLU A 86 6.335 12.725 8.643 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.320 12.095 9.084 1.00 0.00 O ATOM 1301 OE2 GLU A 86 5.579 13.475 9.302 1.00 0.00 O ATOM 0 H GLU A 86 6.549 11.122 4.872 1.00 0.00 H new ATOM 0 HA GLU A 86 5.820 13.849 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.982 12.260 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.631 13.942 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.150 13.183 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.774 11.546 6.942 1.00 0.00 H new ATOM 1308 N THR A 87 7.340 14.944 3.197 1.00 0.00 N ATOM 1309 CA THR A 87 8.177 15.714 2.284 1.00 0.00 C ATOM 1310 C THR A 87 9.610 15.921 2.789 1.00 0.00 C ATOM 1311 O THR A 87 10.568 15.697 2.055 1.00 0.00 O ATOM 1312 CB THR A 87 7.467 17.046 1.992 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.219 16.807 1.378 1.00 0.00 O ATOM 1314 CG2 THR A 87 8.251 17.927 1.031 1.00 0.00 C ATOM 0 H THR A 87 6.380 15.287 3.230 1.00 0.00 H new ATOM 0 HA THR A 87 8.299 15.144 1.363 1.00 0.00 H new ATOM 0 HB THR A 87 7.365 17.547 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.544 16.634 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.705 18.854 0.860 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.227 18.155 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.384 17.404 0.084 1.00 0.00 H new ATOM 1322 N GLY A 88 9.736 16.368 4.038 1.00 0.00 N ATOM 1323 CA GLY A 88 11.007 16.633 4.700 1.00 0.00 C ATOM 1324 C GLY A 88 10.877 17.912 5.518 1.00 0.00 C ATOM 1325 O GLY A 88 11.583 18.888 5.280 1.00 0.00 O ATOM 0 H GLY A 88 8.930 16.561 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.278 15.798 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.803 16.736 3.962 1.00 0.00 H new ATOM 1329 N SER A 89 9.933 17.902 6.460 1.00 0.00 N ATOM 1330 CA SER A 89 9.474 19.079 7.187 1.00 0.00 C ATOM 1331 C SER A 89 8.302 18.647 8.064 1.00 0.00 C ATOM 1332 O SER A 89 8.358 18.731 9.286 1.00 0.00 O ATOM 1333 CB SER A 89 9.011 20.152 6.187 1.00 0.00 C ATOM 1334 OG SER A 89 8.193 19.567 5.179 1.00 0.00 O ATOM 0 H SER A 89 9.454 17.047 6.744 1.00 0.00 H new ATOM 0 HA SER A 89 10.275 19.496 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.455 20.930 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.877 20.631 5.730 1.00 0.00 H new ATOM 0 HG SER A 89 7.903 20.260 4.550 1.00 0.00 H new ATOM 1340 N SER A 90 7.267 18.170 7.369 1.00 0.00 N ATOM 1341 CA SER A 90 6.016 17.595 7.837 1.00 0.00 C ATOM 1342 C SER A 90 5.916 17.401 9.358 1.00 0.00 C ATOM 1343 O SER A 90 6.451 16.429 9.886 1.00 0.00 O ATOM 1344 CB SER A 90 5.826 16.260 7.110 1.00 0.00 C ATOM 1345 OG SER A 90 4.491 15.816 7.193 1.00 0.00 O ATOM 0 H SER A 90 7.295 18.182 6.349 1.00 0.00 H new ATOM 0 HA SER A 90 5.223 18.307 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.110 16.370 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.488 15.510 7.543 1.00 0.00 H new ATOM 0 HG SER A 90 4.318 15.164 6.482 1.00 0.00 H new ATOM 1351 N LYS A 91 5.173 18.272 10.047 1.00 0.00 N ATOM 1352 CA LYS A 91 4.876 18.123 11.464 1.00 0.00 C ATOM 1353 C LYS A 91 3.496 18.732 11.726 1.00 0.00 C ATOM 1354 O LYS A 91 3.301 19.922 11.492 1.00 0.00 O ATOM 1355 CB LYS A 91 5.988 18.786 12.294 1.00 0.00 C ATOM 1356 CG LYS A 91 6.290 17.985 13.567 1.00 0.00 C ATOM 1357 CD LYS A 91 7.456 18.637 14.323 1.00 0.00 C ATOM 1358 CE LYS A 91 7.974 17.743 15.456 1.00 0.00 C ATOM 1359 NZ LYS A 91 6.938 17.478 16.468 1.00 0.00 N ATOM 0 H LYS A 91 4.760 19.105 9.628 1.00 0.00 H new ATOM 0 HA LYS A 91 4.847 17.074 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.893 18.870 11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.689 19.799 12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.406 17.948 14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.541 16.956 13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.268 18.847 13.627 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.133 19.593 14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.325 16.798 15.041 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.831 18.220 15.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.348 16.927 17.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.572 18.380 16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.160 16.939 16.036 1.00 0.00 H new ATOM 1373 N TYR A 92 2.523 17.915 12.147 1.00 0.00 N ATOM 1374 CA TYR A 92 1.136 18.342 12.311 1.00 0.00 C ATOM 1375 C TYR A 92 1.057 19.587 13.210 1.00 0.00 C ATOM 1376 O TYR A 92 1.739 19.623 14.233 1.00 0.00 O ATOM 1377 CB TYR A 92 0.297 17.179 12.867 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.140 17.142 12.385 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -1.450 16.603 11.123 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -2.171 17.631 13.209 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -2.786 16.555 10.682 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.505 17.580 12.769 1.00 0.00 C ATOM 1383 CZ TYR A 92 -3.814 17.030 11.515 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.117 16.957 11.120 1.00 0.00 O ATOM 0 H TYR A 92 2.681 16.935 12.383 1.00 0.00 H new ATOM 0 HA TYR A 92 0.725 18.620 11.340 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.780 16.240 12.597 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.299 17.237 13.955 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.660 16.225 10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.937 18.045 14.179 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.020 16.155 9.707 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.294 17.965 13.397 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.692 17.330 11.820 1.00 0.00 H new ATOM 1394 N PRO A 93 0.268 20.622 12.866 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.682 20.698 11.760 1.00 0.00 C ATOM 1396 C PRO A 93 -0.007 20.856 10.396 1.00 0.00 C ATOM 1397 O PRO A 93 -0.591 20.483 9.380 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.559 21.915 12.070 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.613 22.835 12.840 1.00 0.00 C ATOM 1400 CD PRO A 93 0.222 21.845 13.652 1.00 0.00 C ATOM 0 HA PRO A 93 -1.251 19.771 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.929 22.387 11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.431 21.643 12.665 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.005 23.434 12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.155 23.530 13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.225 22.233 13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.227 21.665 14.629 1.00 0.00 H new ATOM 1408 N ASN A 94 1.224 21.369 10.352 1.00 0.00 N ATOM 1409 CA ASN A 94 1.976 21.575 9.120 1.00 0.00 C ATOM 1410 C ASN A 94 2.565 20.247 8.638 1.00 0.00 C ATOM 1411 O ASN A 94 3.771 20.133 8.416 1.00 0.00 O ATOM 1412 CB ASN A 94 3.080 22.619 9.352 1.00 0.00 C ATOM 1413 CG ASN A 94 2.509 23.977 9.741 1.00 0.00 C ATOM 1414 OD1 ASN A 94 2.368 24.281 10.921 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.173 24.810 8.759 1.00 0.00 N ATOM 0 H ASN A 94 1.732 21.657 11.188 1.00 0.00 H new ATOM 0 HA ASN A 94 1.308 21.950 8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.750 22.269 10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.677 22.723 8.446 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.787 25.728 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.301 24.530 7.787 1.00 0.00 H new ATOM 1422 N CYS A 95 1.716 19.232 8.473 1.00 0.00 N ATOM 1423 CA CYS A 95 2.107 17.972 7.864 1.00 0.00 C ATOM 1424 C CYS A 95 2.044 18.127 6.353 1.00 0.00 C ATOM 1425 O CYS A 95 1.039 18.573 5.805 1.00 0.00 O ATOM 1426 CB CYS A 95 1.238 16.822 8.343 1.00 0.00 C ATOM 1427 SG CYS A 95 1.326 15.312 7.352 1.00 0.00 S ATOM 0 H CYS A 95 0.738 19.266 8.760 1.00 0.00 H new ATOM 0 HA CYS A 95 3.126 17.727 8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.519 16.580 9.368 1.00 0.00 H new ATOM 0 HB3 CYS A 95 0.202 17.159 8.368 1.00 0.00 H new ATOM 1432 N ALA A 96 3.146 17.780 5.703 1.00 0.00 N ATOM 1433 CA ALA A 96 3.394 17.976 4.289 1.00 0.00 C ATOM 1434 C ALA A 96 3.664 16.599 3.707 1.00 0.00 C ATOM 1435 O ALA A 96 4.819 16.178 3.616 1.00 0.00 O ATOM 1436 CB ALA A 96 4.588 18.920 4.110 1.00 0.00 C ATOM 0 H ALA A 96 3.930 17.331 6.176 1.00 0.00 H new ATOM 0 HA ALA A 96 2.548 18.434 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.777 19.070 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.367 19.879 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.470 18.483 4.578 1.00 0.00 H new ATOM 1442 N TYR A 97 2.600 15.877 3.354 1.00 0.00 N ATOM 1443 CA TYR A 97 2.736 14.514 2.881 1.00 0.00 C ATOM 1444 C TYR A 97 2.866 14.542 1.351 1.00 0.00 C ATOM 1445 O TYR A 97 1.892 14.765 0.637 1.00 0.00 O ATOM 1446 CB TYR A 97 1.570 13.678 3.449 1.00 0.00 C ATOM 1447 CG TYR A 97 1.918 12.294 3.975 1.00 0.00 C ATOM 1448 CD1 TYR A 97 3.116 12.049 4.664 1.00 0.00 C ATOM 1449 CD2 TYR A 97 0.973 11.259 3.903 1.00 0.00 C ATOM 1450 CE1 TYR A 97 3.500 10.731 4.942 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.361 9.929 4.147 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.639 9.664 4.663 1.00 0.00 C ATOM 1453 OH TYR A 97 2.994 8.401 5.033 1.00 0.00 O ATOM 0 H TYR A 97 1.640 16.219 3.389 1.00 0.00 H new ATOM 0 HA TYR A 97 3.640 14.021 3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.108 14.244 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.818 13.567 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.739 12.873 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.055 11.484 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.470 10.537 5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.680 9.117 3.939 1.00 0.00 H new ATOM 0 HH TYR A 97 3.438 8.428 5.906 1.00 0.00 H new ATOM 1463 N LYS A 98 4.100 14.360 0.871 1.00 0.00 N ATOM 1464 CA LYS A 98 4.471 14.231 -0.525 1.00 0.00 C ATOM 1465 C LYS A 98 3.749 13.026 -1.115 1.00 0.00 C ATOM 1466 O LYS A 98 3.793 11.976 -0.487 1.00 0.00 O ATOM 1467 CB LYS A 98 5.993 14.025 -0.639 1.00 0.00 C ATOM 1468 CG LYS A 98 6.516 13.718 -2.056 1.00 0.00 C ATOM 1469 CD LYS A 98 6.597 14.955 -2.958 1.00 0.00 C ATOM 1470 CE LYS A 98 7.859 15.766 -2.641 1.00 0.00 C ATOM 1471 NZ LYS A 98 7.945 16.981 -3.467 1.00 0.00 N ATOM 0 H LYS A 98 4.908 14.296 1.490 1.00 0.00 H new ATOM 0 HA LYS A 98 4.191 15.134 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.492 14.922 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.282 13.207 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.506 13.268 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.865 12.979 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.606 14.650 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.713 15.576 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.859 16.042 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.741 15.148 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.811 17.504 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.970 16.716 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.116 17.582 -3.288 1.00 0.00 H new ATOM 1485 N THR A 99 3.178 13.129 -2.318 1.00 0.00 N ATOM 1486 CA THR A 99 2.596 11.993 -3.032 1.00 0.00 C ATOM 1487 C THR A 99 3.429 11.690 -4.281 1.00 0.00 C ATOM 1488 O THR A 99 3.231 12.309 -5.325 1.00 0.00 O ATOM 1489 CB THR A 99 1.124 12.290 -3.341 1.00 0.00 C ATOM 1490 OG1 THR A 99 0.463 12.477 -2.109 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.424 11.128 -4.044 1.00 0.00 C ATOM 0 H THR A 99 3.107 14.010 -2.826 1.00 0.00 H new ATOM 0 HA THR A 99 2.617 11.094 -2.416 1.00 0.00 H new ATOM 0 HB THR A 99 1.089 13.162 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.494 12.616 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.615 11.393 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.927 10.917 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.460 10.243 -3.408 1.00 0.00 H new ATOM 1499 N THR A 100 4.359 10.739 -4.165 1.00 0.00 N ATOM 1500 CA THR A 100 5.157 10.201 -5.261 1.00 0.00 C ATOM 1501 C THR A 100 4.401 8.998 -5.857 1.00 0.00 C ATOM 1502 O THR A 100 3.351 8.615 -5.341 1.00 0.00 O ATOM 1503 CB THR A 100 6.544 9.826 -4.691 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.009 10.887 -3.875 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.611 9.569 -5.760 1.00 0.00 C ATOM 0 H THR A 100 4.583 10.308 -3.268 1.00 0.00 H new ATOM 0 HA THR A 100 5.311 10.920 -6.066 1.00 0.00 H new ATOM 0 HB THR A 100 6.401 8.898 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.888 10.656 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.554 9.312 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.294 8.745 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.745 10.467 -6.364 1.00 0.00 H new ATOM 1513 N GLN A 101 4.907 8.384 -6.931 1.00 0.00 N ATOM 1514 CA GLN A 101 4.349 7.170 -7.511 1.00 0.00 C ATOM 1515 C GLN A 101 5.456 6.413 -8.247 1.00 0.00 C ATOM 1516 O GLN A 101 6.525 6.983 -8.464 1.00 0.00 O ATOM 1517 CB GLN A 101 3.158 7.532 -8.415 1.00 0.00 C ATOM 1518 CG GLN A 101 3.516 8.396 -9.633 1.00 0.00 C ATOM 1519 CD GLN A 101 3.630 7.569 -10.914 1.00 0.00 C ATOM 1520 OE1 GLN A 101 4.582 6.820 -11.094 1.00 0.00 O ATOM 1521 NE2 GLN A 101 2.663 7.693 -11.819 1.00 0.00 N ATOM 0 H GLN A 101 5.730 8.727 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 101 3.965 6.507 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.692 6.611 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.414 8.060 -7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.756 9.166 -9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.460 8.908 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.880 8.324 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.704 7.157 -12.686 1.00 0.00 H new ATOM 1530 N VAL A 102 5.211 5.149 -8.612 1.00 0.00 N ATOM 1531 CA VAL A 102 6.119 4.349 -9.427 1.00 0.00 C ATOM 1532 C VAL A 102 5.311 3.337 -10.248 1.00 0.00 C ATOM 1533 O VAL A 102 4.244 2.895 -9.821 1.00 0.00 O ATOM 1534 CB VAL A 102 7.214 3.703 -8.553 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.648 2.744 -7.501 1.00 0.00 C ATOM 1536 CG2 VAL A 102 8.261 2.968 -9.399 1.00 0.00 C ATOM 0 H VAL A 102 4.363 4.650 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 102 6.647 4.987 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 102 7.693 4.532 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.465 2.321 -6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.973 3.287 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.102 1.941 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.014 2.528 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.775 2.180 -9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.739 3.673 -10.079 1.00 0.00 H new ATOM 1546 N GLU A 103 5.811 3.007 -11.444 1.00 0.00 N ATOM 1547 CA GLU A 103 5.121 2.218 -12.455 1.00 0.00 C ATOM 1548 C GLU A 103 5.958 0.986 -12.793 1.00 0.00 C ATOM 1549 O GLU A 103 6.648 0.966 -13.808 1.00 0.00 O ATOM 1550 CB GLU A 103 4.860 3.112 -13.681 1.00 0.00 C ATOM 1551 CG GLU A 103 4.338 4.501 -13.276 1.00 0.00 C ATOM 1552 CD GLU A 103 3.776 5.305 -14.443 1.00 0.00 C ATOM 1553 OE1 GLU A 103 4.212 5.050 -15.587 1.00 0.00 O ATOM 1554 OE2 GLU A 103 2.909 6.164 -14.165 1.00 0.00 O ATOM 0 H GLU A 103 6.743 3.296 -11.740 1.00 0.00 H new ATOM 0 HA GLU A 103 4.158 1.861 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.782 3.223 -14.253 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.135 2.628 -14.336 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.562 4.382 -12.520 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.149 5.064 -12.814 1.00 0.00 H new ATOM 1561 N LYS A 104 5.913 -0.032 -11.931 1.00 0.00 N ATOM 1562 CA LYS A 104 6.701 -1.247 -12.009 1.00 0.00 C ATOM 1563 C LYS A 104 5.955 -2.289 -11.171 1.00 0.00 C ATOM 1564 O LYS A 104 4.807 -2.039 -10.794 1.00 0.00 O ATOM 1565 CB LYS A 104 8.155 -1.015 -11.556 1.00 0.00 C ATOM 1566 CG LYS A 104 8.992 -0.260 -12.601 1.00 0.00 C ATOM 1567 CD LYS A 104 10.492 -0.575 -12.500 1.00 0.00 C ATOM 1568 CE LYS A 104 11.134 -0.048 -11.212 1.00 0.00 C ATOM 1569 NZ LYS A 104 11.194 1.425 -11.202 1.00 0.00 N ATOM 0 H LYS A 104 5.292 -0.023 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 104 6.800 -1.600 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.154 -0.452 -10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.624 -1.977 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.637 -0.517 -13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.841 0.812 -12.476 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.634 -1.654 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.006 -0.142 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.563 -0.396 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.140 -0.455 -11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.738 1.745 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.656 1.760 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.230 1.811 -11.152 1.00 0.00 H new ATOM 1583 N HIS A 105 6.546 -3.463 -10.933 1.00 0.00 N ATOM 1584 CA HIS A 105 5.861 -4.553 -10.257 1.00 0.00 C ATOM 1585 C HIS A 105 6.066 -4.500 -8.752 1.00 0.00 C ATOM 1586 O HIS A 105 7.115 -4.084 -8.255 1.00 0.00 O ATOM 1587 CB HIS A 105 6.225 -5.918 -10.846 1.00 0.00 C ATOM 1588 CG HIS A 105 7.692 -6.239 -10.931 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.425 -6.923 -9.979 1.00 0.00 N ATOM 1590 CD2 HIS A 105 8.488 -6.046 -12.025 1.00 0.00 C ATOM 1591 CE1 HIS A 105 9.650 -7.139 -10.490 1.00 0.00 C ATOM 1592 NE2 HIS A 105 9.714 -6.605 -11.725 1.00 0.00 N ATOM 0 H HIS A 105 7.506 -3.678 -11.204 1.00 0.00 H new ATOM 0 HA HIS A 105 4.794 -4.417 -10.435 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.741 -6.689 -10.247 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.803 -5.981 -11.849 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.212 -5.552 -12.945 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.454 -7.658 -9.990 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.531 -6.612 -12.336 1.00 0.00 H new ATOM 1601 N ILE A 106 5.020 -4.928 -8.045 1.00 0.00 N ATOM 1602 CA ILE A 106 4.999 -5.017 -6.593 1.00 0.00 C ATOM 1603 C ILE A 106 5.244 -6.451 -6.152 1.00 0.00 C ATOM 1604 O ILE A 106 4.990 -7.399 -6.897 1.00 0.00 O ATOM 1605 CB ILE A 106 3.695 -4.435 -6.018 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.462 -5.302 -6.315 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.466 -3.017 -6.554 1.00 0.00 C ATOM 1608 CD1 ILE A 106 1.199 -4.780 -5.622 1.00 0.00 C ATOM 0 H ILE A 106 4.147 -5.228 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 106 5.809 -4.409 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 106 3.819 -4.414 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.295 -5.334 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.654 -6.325 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.541 -2.617 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.300 -2.379 -6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.394 -3.046 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.357 -5.428 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.353 -4.773 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.988 -3.767 -5.965 1.00 0.00 H new ATOM 1620 N ILE A 107 5.771 -6.584 -4.940 1.00 0.00 N ATOM 1621 CA ILE A 107 5.913 -7.825 -4.216 1.00 0.00 C ATOM 1622 C ILE A 107 5.118 -7.611 -2.936 1.00 0.00 C ATOM 1623 O ILE A 107 5.472 -6.755 -2.120 1.00 0.00 O ATOM 1624 CB ILE A 107 7.400 -8.121 -3.950 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.228 -8.473 -5.201 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.531 -9.345 -3.023 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.452 -7.341 -6.204 1.00 0.00 C ATOM 0 H ILE A 107 6.126 -5.784 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 107 5.543 -8.691 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 107 7.783 -7.194 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.202 -8.839 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.734 -9.296 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.585 -9.550 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.030 -9.140 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.071 -10.212 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.047 -7.708 -7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.490 -6.985 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.980 -6.522 -5.716 1.00 0.00 H new ATOM 1639 N VAL A 108 4.030 -8.363 -2.782 1.00 0.00 N ATOM 1640 CA VAL A 108 3.220 -8.361 -1.578 1.00 0.00 C ATOM 1641 C VAL A 108 3.509 -9.641 -0.794 1.00 0.00 C ATOM 1642 O VAL A 108 4.378 -10.416 -1.190 1.00 0.00 O ATOM 1643 CB VAL A 108 1.732 -8.179 -1.936 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.507 -6.815 -2.599 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.193 -9.289 -2.846 1.00 0.00 C ATOM 0 H VAL A 108 3.686 -8.997 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 108 3.475 -7.518 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 108 1.180 -8.235 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.452 -6.700 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.807 -6.023 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.102 -6.751 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.141 -9.104 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.758 -9.302 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.297 -10.252 -2.346 1.00 0.00 H new ATOM 1655 N ALA A 109 2.791 -9.880 0.302 1.00 0.00 N ATOM 1656 CA ALA A 109 2.784 -11.144 1.016 1.00 0.00 C ATOM 1657 C ALA A 109 1.374 -11.408 1.504 1.00 0.00 C ATOM 1658 O ALA A 109 0.653 -10.452 1.807 1.00 0.00 O ATOM 1659 CB ALA A 109 3.765 -11.123 2.189 1.00 0.00 C ATOM 0 H ALA A 109 2.184 -9.178 0.725 1.00 0.00 H new ATOM 0 HA ALA A 109 3.103 -11.942 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.737 -12.083 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.773 -10.940 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.485 -10.331 2.883 1.00 0.00 H new ATOM 1665 N CYS A 110 0.998 -12.689 1.559 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.327 -13.121 1.975 1.00 0.00 C ATOM 1667 C CYS A 110 -0.222 -13.899 3.279 1.00 0.00 C ATOM 1668 O CYS A 110 0.772 -14.582 3.517 1.00 0.00 O ATOM 1669 CB CYS A 110 -1.029 -13.937 0.886 1.00 0.00 C ATOM 1670 SG CYS A 110 -1.345 -13.007 -0.630 1.00 0.00 S ATOM 0 H CYS A 110 1.618 -13.460 1.311 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.944 -12.238 2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -0.419 -14.808 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.976 -14.309 1.277 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.228 -13.750 4.138 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.225 -14.318 5.474 1.00 0.00 C ATOM 1677 C GLY A 111 -1.366 -15.839 5.461 1.00 0.00 C ATOM 1678 O GLY A 111 -1.591 -16.456 4.418 1.00 0.00 O ATOM 0 H GLY A 111 -2.075 -13.225 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.298 -14.046 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.042 -13.885 6.052 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.247 -16.438 6.649 1.00 0.00 N ATOM 1683 CA GLY A 112 -1.573 -17.834 6.858 1.00 0.00 C ATOM 1684 C GLY A 112 -3.060 -18.051 6.586 1.00 0.00 C ATOM 1685 O GLY A 112 -3.847 -17.114 6.683 1.00 0.00 O ATOM 0 H GLY A 112 -0.921 -15.960 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.975 -18.462 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.332 -18.127 7.880 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.406 -19.293 6.237 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.709 -19.715 5.730 1.00 0.00 C ATOM 1691 C LYS A 113 -5.880 -18.931 6.353 1.00 0.00 C ATOM 1692 O LYS A 113 -6.036 -18.970 7.572 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.906 -21.219 5.972 1.00 0.00 C ATOM 1694 CG LYS A 113 -3.785 -22.083 5.378 1.00 0.00 C ATOM 1695 CD LYS A 113 -4.200 -23.559 5.418 1.00 0.00 C ATOM 1696 CE LYS A 113 -3.087 -24.483 4.907 1.00 0.00 C ATOM 1697 NZ LYS A 113 -1.925 -24.500 5.815 1.00 0.00 N ATOM 0 H LYS A 113 -2.748 -20.070 6.305 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.714 -19.502 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.966 -21.402 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -5.859 -21.527 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.583 -21.779 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.863 -21.938 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.460 -23.835 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.095 -23.700 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.477 -25.495 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.769 -24.155 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.263 -25.245 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.445 -23.578 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.246 -24.689 6.786 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.733 -18.260 5.556 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.731 -18.231 4.100 1.00 0.00 C ATOM 1713 C PRO A 114 -5.607 -17.353 3.545 1.00 0.00 C ATOM 1714 O PRO A 114 -5.184 -16.383 4.166 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.099 -17.671 3.705 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.452 -16.761 4.881 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.859 -17.506 6.078 1.00 0.00 C ATOM 0 HA PRO A 114 -6.557 -19.226 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.053 -17.118 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.836 -18.463 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.018 -15.768 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.529 -16.629 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.538 -16.809 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.597 -18.168 6.531 1.00 0.00 H new ATOM 1725 N SER A 115 -5.136 -17.686 2.345 1.00 0.00 N ATOM 1726 CA SER A 115 -4.121 -16.915 1.656 1.00 0.00 C ATOM 1727 C SER A 115 -4.748 -15.614 1.153 1.00 0.00 C ATOM 1728 O SER A 115 -5.188 -15.555 0.005 1.00 0.00 O ATOM 1729 CB SER A 115 -3.589 -17.766 0.502 1.00 0.00 C ATOM 1730 OG SER A 115 -4.690 -18.270 -0.230 1.00 0.00 O ATOM 0 H SER A 115 -5.454 -18.504 1.826 1.00 0.00 H new ATOM 0 HA SER A 115 -3.293 -16.657 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 115 -2.946 -17.168 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.982 -18.586 0.885 1.00 0.00 H new ATOM 0 HG SER A 115 -5.256 -17.526 -0.524 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.803 -14.602 2.019 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.287 -13.261 1.706 1.00 0.00 C ATOM 1738 C VAL A 116 -4.132 -12.260 1.856 1.00 0.00 C ATOM 1739 O VAL A 116 -3.283 -12.459 2.726 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.501 -12.915 2.591 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.685 -13.828 2.253 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.208 -12.997 4.097 1.00 0.00 C ATOM 0 H VAL A 116 -4.502 -14.698 2.989 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.632 -13.211 0.673 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.746 -11.876 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.534 -13.572 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.959 -13.696 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.404 -14.867 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.107 -12.741 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.898 -14.010 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.411 -12.298 4.351 1.00 0.00 H new ATOM 1752 N PRO A 117 -4.058 -11.216 1.011 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.963 -10.249 0.995 1.00 0.00 C ATOM 1754 C PRO A 117 -2.875 -9.523 2.334 1.00 0.00 C ATOM 1755 O PRO A 117 -3.909 -9.193 2.901 1.00 0.00 O ATOM 1756 CB PRO A 117 -3.298 -9.283 -0.149 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.824 -9.343 -0.204 1.00 0.00 C ATOM 1758 CD PRO A 117 -5.086 -10.821 0.061 1.00 0.00 C ATOM 0 HA PRO A 117 -1.993 -10.722 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.940 -8.274 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.846 -9.598 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.286 -8.704 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.211 -9.026 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.084 -10.979 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -5.022 -11.405 -0.857 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.667 -9.279 2.853 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.494 -8.683 4.171 1.00 0.00 C ATOM 1768 C VAL A 118 -0.293 -7.750 4.296 1.00 0.00 C ATOM 1769 O VAL A 118 -0.328 -6.840 5.123 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.522 -9.774 5.256 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.271 -10.656 5.242 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.722 -9.172 6.651 1.00 0.00 C ATOM 0 H VAL A 118 -0.792 -9.489 2.372 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.345 -8.020 4.325 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.375 -10.410 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.347 -11.407 6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.185 -11.151 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.611 -10.039 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.737 -9.970 7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.904 -8.486 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.668 -8.631 6.682 1.00 0.00 H new ATOM 1782 N HIS A 119 0.770 -7.969 3.519 1.00 0.00 N ATOM 1783 CA HIS A 119 1.951 -7.115 3.580 1.00 0.00 C ATOM 1784 C HIS A 119 2.338 -6.653 2.187 1.00 0.00 C ATOM 1785 O HIS A 119 2.210 -7.403 1.224 1.00 0.00 O ATOM 1786 CB HIS A 119 3.118 -7.845 4.265 1.00 0.00 C ATOM 1787 CG HIS A 119 4.051 -6.948 5.046 1.00 0.00 C ATOM 1788 ND1 HIS A 119 4.805 -5.894 4.556 1.00 0.00 N ATOM 1789 CD2 HIS A 119 4.331 -7.072 6.379 1.00 0.00 C ATOM 1790 CE1 HIS A 119 5.512 -5.380 5.575 1.00 0.00 C ATOM 1791 NE2 HIS A 119 5.243 -6.082 6.691 1.00 0.00 N ATOM 0 H HIS A 119 0.834 -8.730 2.843 1.00 0.00 H new ATOM 0 HA HIS A 119 1.713 -6.235 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.712 -8.599 4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.694 -8.373 3.506 1.00 0.00 H new ATOM 0 HD1 HIS A 119 4.820 -5.566 3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 119 3.918 -7.804 7.058 1.00 0.00 H new ATOM 0 HE1 HIS A 119 6.187 -4.540 5.510 1.00 0.00 H new ATOM 1800 N PHE A 120 2.825 -5.417 2.095 1.00 0.00 N ATOM 1801 CA PHE A 120 3.520 -4.899 0.934 1.00 0.00 C ATOM 1802 C PHE A 120 4.994 -5.090 1.258 1.00 0.00 C ATOM 1803 O PHE A 120 5.472 -4.482 2.214 1.00 0.00 O ATOM 1804 CB PHE A 120 3.190 -3.417 0.766 1.00 0.00 C ATOM 1805 CG PHE A 120 3.929 -2.752 -0.376 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.408 -2.813 -1.682 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.166 -2.122 -0.145 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.111 -2.224 -2.747 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.863 -1.527 -1.209 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.338 -1.580 -2.511 1.00 0.00 C ATOM 0 H PHE A 120 2.741 -4.736 2.850 1.00 0.00 H new ATOM 0 HA PHE A 120 3.240 -5.399 0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.117 -3.309 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.427 -2.894 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.468 -3.312 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.580 -2.096 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.708 -2.266 -3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.803 -1.028 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.877 -1.126 -3.330 1.00 0.00 H new ATOM 1820 N ASP A 121 5.688 -5.984 0.558 1.00 0.00 N ATOM 1821 CA ASP A 121 7.101 -6.220 0.816 1.00 0.00 C ATOM 1822 C ASP A 121 7.917 -5.086 0.204 1.00 0.00 C ATOM 1823 O ASP A 121 8.673 -4.418 0.905 1.00 0.00 O ATOM 1824 CB ASP A 121 7.528 -7.578 0.254 1.00 0.00 C ATOM 1825 CG ASP A 121 8.977 -7.910 0.596 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.856 -7.482 -0.183 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.181 -8.599 1.620 1.00 0.00 O ATOM 0 H ASP A 121 5.294 -6.554 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 121 7.279 -6.241 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.875 -8.356 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.402 -7.578 -0.829 1.00 0.00 H new ATOM 1832 N ALA A 122 7.765 -4.882 -1.108 1.00 0.00 N ATOM 1833 CA ALA A 122 8.550 -3.919 -1.867 1.00 0.00 C ATOM 1834 C ALA A 122 7.975 -3.802 -3.278 1.00 0.00 C ATOM 1835 O ALA A 122 6.984 -4.454 -3.606 1.00 0.00 O ATOM 1836 CB ALA A 122 10.017 -4.378 -1.924 1.00 0.00 C ATOM 0 H ALA A 122 7.085 -5.389 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 122 8.508 -2.944 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.602 -3.656 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.415 -4.451 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.075 -5.353 -2.408 1.00 0.00 H new ATOM 1842 N SER A 123 8.627 -3.007 -4.126 1.00 0.00 N ATOM 1843 CA SER A 123 8.376 -2.954 -5.553 1.00 0.00 C ATOM 1844 C SER A 123 9.706 -2.753 -6.264 1.00 0.00 C ATOM 1845 O SER A 123 10.656 -2.253 -5.664 1.00 0.00 O ATOM 1846 CB SER A 123 7.385 -1.839 -5.890 1.00 0.00 C ATOM 1847 OG SER A 123 7.716 -0.646 -5.203 1.00 0.00 O ATOM 0 H SER A 123 9.362 -2.368 -3.824 1.00 0.00 H new ATOM 0 HA SER A 123 7.924 -3.887 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.387 -1.657 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.376 -2.150 -5.621 1.00 0.00 H new ATOM 0 HG SER A 123 7.297 0.117 -5.652 1.00 0.00 H new ATOM 1853 N VAL A 124 9.771 -3.179 -7.525 1.00 0.00 N ATOM 1854 CA VAL A 124 10.980 -3.142 -8.343 1.00 0.00 C ATOM 1855 C VAL A 124 10.611 -3.430 -9.802 1.00 0.00 C ATOM 1856 O VAL A 124 9.456 -3.856 -10.026 1.00 0.00 O ATOM 1857 CB VAL A 124 12.047 -4.109 -7.780 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.613 -5.575 -7.870 1.00 0.00 C ATOM 1859 CG2 VAL A 124 13.417 -3.936 -8.450 1.00 0.00 C ATOM 1860 OXT VAL A 124 11.473 -3.197 -10.674 1.00 0.00 O ATOM 0 H VAL A 124 8.966 -3.568 -8.016 1.00 0.00 H new ATOM 0 HA VAL A 124 11.428 -2.149 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 124 12.146 -3.841 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.397 -6.212 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.695 -5.718 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.437 -5.839 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 124 14.126 -4.640 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 124 13.326 -4.127 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.773 -2.918 -8.292 1.00 0.00 H new TER 1870 VAL A 124