USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 843 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 Single : A 1 MET CE :methyl -171:sc= -0.485 (180deg=-0.577) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.061 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 120:sc= -0.371 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 28 MET CE :methyl 162:sc= -0.17 (180deg=-0.677) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 1.87 (180deg=0.62) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.569 K(o=-0.57,f=-7.4!) USER MOD Single : A 54 CYS SG : rot -41:sc= -1.42 USER MOD Single : A 55 ASN : amide:sc= -0.0221 K(o=-0.022,f=-2.2) USER MOD Single : A 57 MET CE :methyl -152:sc= -0.135 (180deg=-1.95) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 178:sc= -2.29 (180deg=-2.39) USER MOD Single : A 64 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.6) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.21) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-0.23) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 102 HIS : no HD1:sc=-0.00601 X(o=-0.006,f=-0.014) USER MOD Single : A 103 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0048) USER MOD Single : A 104 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.011) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.390 -10.338 -4.031 1.00 0.00 N ATOM 2 CA MET A 1 -5.184 -9.177 -4.925 1.00 0.00 C ATOM 3 C MET A 1 -4.025 -8.337 -4.414 1.00 0.00 C ATOM 4 O MET A 1 -3.810 -8.240 -3.209 1.00 0.00 O ATOM 5 CB MET A 1 -6.460 -8.332 -4.987 1.00 0.00 C ATOM 6 CG MET A 1 -6.408 -7.194 -5.994 1.00 0.00 C ATOM 7 SD MET A 1 -7.941 -6.245 -6.042 1.00 0.00 S ATOM 8 CE MET A 1 -7.579 -5.088 -7.360 1.00 0.00 C ATOM 0 H1 MET A 1 -6.409 -10.511 -3.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.940 -11.179 -4.445 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.966 -10.141 -3.102 1.00 0.00 H new ATOM 0 HA MET A 1 -4.950 -9.533 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.300 -8.981 -5.233 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.656 -7.918 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.581 -6.530 -5.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.204 -7.599 -6.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.362 -4.331 -7.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.620 -4.607 -7.168 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.534 -5.621 -8.310 1.00 0.00 H new ATOM 20 N LYS A 2 -3.270 -7.745 -5.322 1.00 0.00 N ATOM 21 CA LYS A 2 -2.124 -6.933 -4.943 1.00 0.00 C ATOM 22 C LYS A 2 -2.530 -5.481 -4.792 1.00 0.00 C ATOM 23 O LYS A 2 -3.484 -5.025 -5.421 1.00 0.00 O ATOM 24 CB LYS A 2 -1.008 -7.024 -5.989 1.00 0.00 C ATOM 25 CG LYS A 2 -0.247 -8.346 -6.010 1.00 0.00 C ATOM 26 CD LYS A 2 -1.124 -9.513 -6.433 1.00 0.00 C ATOM 27 CE LYS A 2 -0.296 -10.657 -7.001 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.148 -11.741 -7.564 1.00 0.00 N ATOM 0 H LYS A 2 -3.428 -7.810 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.755 -7.317 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.441 -6.856 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.298 -6.217 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.599 -8.264 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.162 -8.543 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.697 -9.868 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.843 -9.177 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.364 -10.274 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.340 -11.067 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.543 -12.499 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.760 -12.125 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.737 -11.357 -8.330 1.00 0.00 H new ATOM 42 N LEU A 3 -1.798 -4.756 -3.966 1.00 0.00 N ATOM 43 CA LEU A 3 -2.010 -3.327 -3.818 1.00 0.00 C ATOM 44 C LEU A 3 -1.671 -2.611 -5.123 1.00 0.00 C ATOM 45 O LEU A 3 -2.253 -1.582 -5.451 1.00 0.00 O ATOM 46 CB LEU A 3 -1.160 -2.791 -2.665 1.00 0.00 C ATOM 47 CG LEU A 3 -1.216 -1.281 -2.448 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.649 -0.814 -2.264 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.379 -0.897 -1.243 1.00 0.00 C ATOM 0 H LEU A 3 -1.049 -5.134 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.059 -3.140 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.476 -3.284 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.123 -3.076 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.810 -0.791 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.663 0.265 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.230 -1.062 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.084 -1.309 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.425 0.182 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.765 -1.400 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.656 -1.196 -1.409 1.00 0.00 H new ATOM 61 N SER A 4 -0.737 -3.181 -5.871 1.00 0.00 N ATOM 62 CA SER A 4 -0.348 -2.629 -7.159 1.00 0.00 C ATOM 63 C SER A 4 -1.414 -2.892 -8.224 1.00 0.00 C ATOM 64 O SER A 4 -1.410 -2.265 -9.284 1.00 0.00 O ATOM 65 CB SER A 4 0.995 -3.216 -7.594 1.00 0.00 C ATOM 66 OG SER A 4 0.993 -4.630 -7.487 1.00 0.00 O ATOM 0 H SER A 4 -0.234 -4.028 -5.606 1.00 0.00 H new ATOM 0 HA SER A 4 -0.249 -1.549 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.206 -2.926 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.793 -2.803 -6.977 1.00 0.00 H new ATOM 0 HG SER A 4 1.158 -5.025 -8.369 1.00 0.00 H new ATOM 72 N GLU A 5 -2.329 -3.814 -7.935 1.00 0.00 N ATOM 73 CA GLU A 5 -3.395 -4.158 -8.870 1.00 0.00 C ATOM 74 C GLU A 5 -4.609 -3.264 -8.663 1.00 0.00 C ATOM 75 O GLU A 5 -5.508 -3.218 -9.507 1.00 0.00 O ATOM 76 CB GLU A 5 -3.815 -5.615 -8.703 1.00 0.00 C ATOM 77 CG GLU A 5 -2.714 -6.616 -8.990 1.00 0.00 C ATOM 78 CD GLU A 5 -3.177 -8.042 -8.785 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.959 -8.284 -7.842 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.771 -8.927 -9.561 1.00 0.00 O ATOM 0 H GLU A 5 -2.353 -4.337 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.006 -4.008 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.170 -5.764 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.656 -5.817 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.369 -6.491 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.862 -6.414 -8.340 1.00 0.00 H new ATOM 87 N LEU A 6 -4.639 -2.568 -7.532 1.00 0.00 N ATOM 88 CA LEU A 6 -5.758 -1.690 -7.205 1.00 0.00 C ATOM 89 C LEU A 6 -5.897 -0.553 -8.208 1.00 0.00 C ATOM 90 O LEU A 6 -5.002 -0.298 -9.018 1.00 0.00 O ATOM 91 CB LEU A 6 -5.619 -1.117 -5.795 1.00 0.00 C ATOM 92 CG LEU A 6 -6.126 -2.018 -4.671 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.895 -1.361 -3.324 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.601 -2.329 -4.864 1.00 0.00 C ATOM 0 H LEU A 6 -3.903 -2.594 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.659 -2.302 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.568 -0.894 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.158 -0.171 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.570 -2.955 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.261 -2.015 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.829 -1.184 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.429 -0.411 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.946 -2.972 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.172 -1.401 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.744 -2.838 -5.817 1.00 0.00 H new ATOM 106 N LYS A 7 -7.029 0.127 -8.147 1.00 0.00 N ATOM 107 CA LYS A 7 -7.336 1.200 -9.076 1.00 0.00 C ATOM 108 C LYS A 7 -7.331 2.535 -8.347 1.00 0.00 C ATOM 109 O LYS A 7 -7.453 2.577 -7.121 1.00 0.00 O ATOM 110 CB LYS A 7 -8.708 0.961 -9.706 1.00 0.00 C ATOM 111 CG LYS A 7 -8.948 -0.480 -10.126 1.00 0.00 C ATOM 112 CD LYS A 7 -10.394 -0.701 -10.531 1.00 0.00 C ATOM 113 CE LYS A 7 -10.702 -2.174 -10.745 1.00 0.00 C ATOM 114 NZ LYS A 7 -12.162 -2.410 -10.899 1.00 0.00 N ATOM 0 H LYS A 7 -7.758 -0.048 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.579 1.220 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.480 1.256 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.814 1.606 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.292 -0.733 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.692 -1.148 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.053 -0.300 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.603 -0.149 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.179 -2.531 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.326 -2.752 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.336 -3.425 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.657 -2.092 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.515 -1.878 -11.720 1.00 0.00 H new ATOM 128 N ALA A 8 -7.197 3.620 -9.097 1.00 0.00 N ATOM 129 CA ALA A 8 -7.181 4.949 -8.512 1.00 0.00 C ATOM 130 C ALA A 8 -8.557 5.306 -7.967 1.00 0.00 C ATOM 131 O ALA A 8 -9.479 5.606 -8.725 1.00 0.00 O ATOM 132 CB ALA A 8 -6.723 5.979 -9.535 1.00 0.00 C ATOM 0 H ALA A 8 -7.098 3.604 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.472 4.954 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.718 6.968 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.718 5.731 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.405 5.976 -10.385 1.00 0.00 H new ATOM 138 N GLY A 9 -8.691 5.252 -6.650 1.00 0.00 N ATOM 139 CA GLY A 9 -9.958 5.551 -6.022 1.00 0.00 C ATOM 140 C GLY A 9 -10.559 4.355 -5.312 1.00 0.00 C ATOM 141 O GLY A 9 -11.584 4.482 -4.642 1.00 0.00 O ATOM 0 H GLY A 9 -7.941 5.005 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.821 6.361 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.657 5.908 -6.778 1.00 0.00 H new ATOM 145 N ASP A 10 -9.933 3.194 -5.451 1.00 0.00 N ATOM 146 CA ASP A 10 -10.443 1.980 -4.817 1.00 0.00 C ATOM 147 C ASP A 10 -10.018 1.890 -3.355 1.00 0.00 C ATOM 148 O ASP A 10 -8.933 2.344 -2.975 1.00 0.00 O ATOM 149 CB ASP A 10 -10.006 0.722 -5.576 1.00 0.00 C ATOM 150 CG ASP A 10 -11.106 0.190 -6.477 1.00 0.00 C ATOM 151 OD1 ASP A 10 -12.000 -0.518 -5.972 1.00 0.00 O ATOM 152 OD2 ASP A 10 -11.092 0.483 -7.689 1.00 0.00 O ATOM 0 H ASP A 10 -9.078 3.065 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.531 2.038 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.124 0.948 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.717 -0.050 -4.863 1.00 0.00 H new ATOM 157 N ARG A 11 -10.891 1.307 -2.542 1.00 0.00 N ATOM 158 CA ARG A 11 -10.668 1.178 -1.104 1.00 0.00 C ATOM 159 C ARG A 11 -10.459 -0.289 -0.741 1.00 0.00 C ATOM 160 O ARG A 11 -11.269 -1.143 -1.104 1.00 0.00 O ATOM 161 CB ARG A 11 -11.877 1.740 -0.346 1.00 0.00 C ATOM 162 CG ARG A 11 -12.138 3.213 -0.624 1.00 0.00 C ATOM 163 CD ARG A 11 -13.588 3.594 -0.352 1.00 0.00 C ATOM 164 NE ARG A 11 -13.983 3.376 1.039 1.00 0.00 N ATOM 165 CZ ARG A 11 -15.219 3.574 1.502 1.00 0.00 C ATOM 166 NH1 ARG A 11 -16.190 3.970 0.683 1.00 0.00 N ATOM 167 NH2 ARG A 11 -15.480 3.363 2.784 1.00 0.00 N ATOM 0 H ARG A 11 -11.775 0.909 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.777 1.740 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.763 1.165 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.721 1.603 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.480 3.822 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.893 3.436 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.736 4.644 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.240 3.013 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.271 3.053 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.992 4.124 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.132 4.119 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.738 3.051 3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.423 3.513 3.144 1.00 0.00 H new ATOM 181 N ALA A 12 -9.383 -0.589 -0.023 1.00 0.00 N ATOM 182 CA ALA A 12 -9.056 -1.973 0.286 1.00 0.00 C ATOM 183 C ALA A 12 -8.564 -2.147 1.716 1.00 0.00 C ATOM 184 O ALA A 12 -8.260 -1.175 2.412 1.00 0.00 O ATOM 185 CB ALA A 12 -8.014 -2.498 -0.688 1.00 0.00 C ATOM 0 H ALA A 12 -8.730 0.099 0.352 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.976 -2.549 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.779 -3.534 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.405 -2.443 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.110 -1.894 -0.614 1.00 0.00 H new ATOM 191 N GLU A 13 -8.511 -3.402 2.133 1.00 0.00 N ATOM 192 CA GLU A 13 -8.000 -3.791 3.437 1.00 0.00 C ATOM 193 C GLU A 13 -6.689 -4.555 3.266 1.00 0.00 C ATOM 194 O GLU A 13 -6.600 -5.446 2.415 1.00 0.00 O ATOM 195 CB GLU A 13 -9.031 -4.686 4.135 1.00 0.00 C ATOM 196 CG GLU A 13 -8.541 -5.322 5.428 1.00 0.00 C ATOM 197 CD GLU A 13 -8.477 -4.350 6.583 1.00 0.00 C ATOM 198 OE1 GLU A 13 -7.719 -3.373 6.502 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.193 -4.573 7.586 1.00 0.00 O ATOM 0 H GLU A 13 -8.826 -4.190 1.567 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.820 -2.901 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.921 -4.094 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.332 -5.476 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.202 -6.147 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.551 -5.747 5.264 1.00 0.00 H new ATOM 206 N VAL A 14 -5.677 -4.211 4.050 1.00 0.00 N ATOM 207 CA VAL A 14 -4.418 -4.941 4.005 1.00 0.00 C ATOM 208 C VAL A 14 -4.551 -6.261 4.753 1.00 0.00 C ATOM 209 O VAL A 14 -4.653 -6.284 5.982 1.00 0.00 O ATOM 210 CB VAL A 14 -3.241 -4.140 4.608 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.967 -4.971 4.594 1.00 0.00 C ATOM 212 CG2 VAL A 14 -3.028 -2.846 3.845 1.00 0.00 C ATOM 0 H VAL A 14 -5.701 -3.440 4.718 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.198 -5.117 2.952 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.489 -3.898 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.149 -4.391 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.117 -5.876 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.721 -5.242 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.195 -2.297 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.804 -3.071 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.932 -2.239 3.899 1.00 0.00 H new ATOM 222 N THR A 15 -4.560 -7.357 4.010 1.00 0.00 N ATOM 223 CA THR A 15 -4.660 -8.672 4.611 1.00 0.00 C ATOM 224 C THR A 15 -3.275 -9.217 4.936 1.00 0.00 C ATOM 225 O THR A 15 -3.056 -9.802 5.998 1.00 0.00 O ATOM 226 CB THR A 15 -5.405 -9.651 3.687 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.870 -9.575 2.362 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.893 -9.334 3.655 1.00 0.00 C ATOM 0 H THR A 15 -4.499 -7.359 2.992 1.00 0.00 H new ATOM 0 HA THR A 15 -5.229 -8.572 5.535 1.00 0.00 H new ATOM 0 HB THR A 15 -5.270 -10.660 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.348 -10.202 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.401 -10.038 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.304 -9.417 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.041 -8.319 3.285 1.00 0.00 H new ATOM 236 N SER A 16 -2.336 -9.009 4.025 1.00 0.00 N ATOM 237 CA SER A 16 -0.962 -9.438 4.230 1.00 0.00 C ATOM 238 C SER A 16 -0.004 -8.585 3.407 1.00 0.00 C ATOM 239 O SER A 16 0.065 -8.706 2.184 1.00 0.00 O ATOM 240 CB SER A 16 -0.794 -10.917 3.864 1.00 0.00 C ATOM 241 OG SER A 16 -1.661 -11.741 4.633 1.00 0.00 O ATOM 0 H SER A 16 -2.503 -8.543 3.133 1.00 0.00 H new ATOM 0 HA SER A 16 -0.724 -9.312 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.002 -11.057 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.240 -11.220 4.029 1.00 0.00 H new ATOM 0 HG SER A 16 -1.533 -12.678 4.377 1.00 0.00 H new ATOM 247 N VAL A 17 0.716 -7.705 4.083 1.00 0.00 N ATOM 248 CA VAL A 17 1.717 -6.881 3.428 1.00 0.00 C ATOM 249 C VAL A 17 3.054 -7.620 3.368 1.00 0.00 C ATOM 250 O VAL A 17 3.697 -7.855 4.391 1.00 0.00 O ATOM 251 CB VAL A 17 1.882 -5.514 4.143 1.00 0.00 C ATOM 252 CG1 VAL A 17 2.020 -5.692 5.650 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.073 -4.745 3.580 1.00 0.00 C ATOM 0 H VAL A 17 0.625 -7.543 5.086 1.00 0.00 H new ATOM 0 HA VAL A 17 1.377 -6.683 2.411 1.00 0.00 H new ATOM 0 HB VAL A 17 0.980 -4.932 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.134 -4.716 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.129 -6.183 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.896 -6.304 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.167 -3.790 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.983 -5.327 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.921 -4.567 2.515 1.00 0.00 H new ATOM 263 N ALA A 18 3.445 -8.025 2.170 1.00 0.00 N ATOM 264 CA ALA A 18 4.736 -8.660 1.973 1.00 0.00 C ATOM 265 C ALA A 18 5.689 -7.695 1.291 1.00 0.00 C ATOM 266 O ALA A 18 5.291 -6.936 0.410 1.00 0.00 O ATOM 267 CB ALA A 18 4.592 -9.942 1.168 1.00 0.00 C ATOM 0 H ALA A 18 2.887 -7.925 1.322 1.00 0.00 H new ATOM 0 HA ALA A 18 5.147 -8.926 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.572 -10.399 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.939 -10.634 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.162 -9.713 0.193 1.00 0.00 H new ATOM 273 N ALA A 19 6.938 -7.718 1.719 1.00 0.00 N ATOM 274 CA ALA A 19 7.955 -6.828 1.188 1.00 0.00 C ATOM 275 C ALA A 19 9.303 -7.209 1.769 1.00 0.00 C ATOM 276 O ALA A 19 9.398 -8.189 2.512 1.00 0.00 O ATOM 277 CB ALA A 19 7.627 -5.377 1.521 1.00 0.00 C ATOM 0 H ALA A 19 7.276 -8.352 2.443 1.00 0.00 H new ATOM 0 HA ALA A 19 7.985 -6.926 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.401 -4.726 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.664 -5.112 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.581 -5.253 2.603 1.00 0.00 H new ATOM 283 N GLU A 20 10.335 -6.450 1.432 1.00 0.00 N ATOM 284 CA GLU A 20 11.641 -6.641 2.039 1.00 0.00 C ATOM 285 C GLU A 20 11.502 -6.462 3.549 1.00 0.00 C ATOM 286 O GLU A 20 10.724 -5.617 3.992 1.00 0.00 O ATOM 287 CB GLU A 20 12.627 -5.609 1.482 1.00 0.00 C ATOM 288 CG GLU A 20 14.088 -5.972 1.675 1.00 0.00 C ATOM 289 CD GLU A 20 14.542 -7.035 0.700 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.048 -8.178 0.780 1.00 0.00 O ATOM 291 OE2 GLU A 20 15.390 -6.730 -0.160 1.00 0.00 O ATOM 0 H GLU A 20 10.293 -5.699 0.743 1.00 0.00 H new ATOM 0 HA GLU A 20 12.016 -7.639 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.435 -5.479 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.437 -4.648 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.702 -5.080 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.242 -6.326 2.694 1.00 0.00 H new ATOM 298 N PRO A 21 12.232 -7.245 4.361 1.00 0.00 N ATOM 299 CA PRO A 21 12.149 -7.168 5.824 1.00 0.00 C ATOM 300 C PRO A 21 12.287 -5.736 6.339 1.00 0.00 C ATOM 301 O PRO A 21 11.533 -5.306 7.212 1.00 0.00 O ATOM 302 CB PRO A 21 13.317 -8.037 6.314 1.00 0.00 C ATOM 303 CG PRO A 21 14.096 -8.416 5.097 1.00 0.00 C ATOM 304 CD PRO A 21 13.168 -8.284 3.927 1.00 0.00 C ATOM 0 HA PRO A 21 11.180 -7.509 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.941 -7.488 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.952 -8.923 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.964 -7.767 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.470 -9.437 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.700 -7.994 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.657 -9.222 3.710 1.00 0.00 H new ATOM 312 N ALA A 22 13.237 -5.002 5.773 1.00 0.00 N ATOM 313 CA ALA A 22 13.461 -3.611 6.149 1.00 0.00 C ATOM 314 C ALA A 22 12.288 -2.724 5.736 1.00 0.00 C ATOM 315 O ALA A 22 11.853 -1.857 6.497 1.00 0.00 O ATOM 316 CB ALA A 22 14.746 -3.102 5.516 1.00 0.00 C ATOM 0 H ALA A 22 13.867 -5.348 5.049 1.00 0.00 H new ATOM 0 HA ALA A 22 13.549 -3.567 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.906 -2.062 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.585 -3.706 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.670 -3.172 4.431 1.00 0.00 H new ATOM 322 N VAL A 23 11.765 -2.960 4.541 1.00 0.00 N ATOM 323 CA VAL A 23 10.704 -2.128 3.993 1.00 0.00 C ATOM 324 C VAL A 23 9.390 -2.413 4.702 1.00 0.00 C ATOM 325 O VAL A 23 8.666 -1.493 5.080 1.00 0.00 O ATOM 326 CB VAL A 23 10.533 -2.354 2.479 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.356 -1.551 1.941 1.00 0.00 C ATOM 328 CG2 VAL A 23 11.808 -1.985 1.741 1.00 0.00 C ATOM 0 H VAL A 23 12.059 -3.723 3.931 1.00 0.00 H new ATOM 0 HA VAL A 23 10.987 -1.088 4.154 1.00 0.00 H new ATOM 0 HB VAL A 23 10.328 -3.412 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.255 -1.727 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.442 -1.861 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.528 -0.490 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.671 -2.150 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.040 -0.935 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.629 -2.604 2.101 1.00 0.00 H new ATOM 338 N ARG A 24 9.104 -3.693 4.899 1.00 0.00 N ATOM 339 CA ARG A 24 7.900 -4.108 5.599 1.00 0.00 C ATOM 340 C ARG A 24 7.893 -3.536 7.010 1.00 0.00 C ATOM 341 O ARG A 24 6.874 -3.040 7.480 1.00 0.00 O ATOM 342 CB ARG A 24 7.800 -5.636 5.631 1.00 0.00 C ATOM 343 CG ARG A 24 6.544 -6.143 6.322 1.00 0.00 C ATOM 344 CD ARG A 24 6.254 -7.599 5.996 1.00 0.00 C ATOM 345 NE ARG A 24 7.335 -8.504 6.387 1.00 0.00 N ATOM 346 CZ ARG A 24 7.205 -9.459 7.310 1.00 0.00 C ATOM 347 NH1 ARG A 24 6.080 -9.563 8.014 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.208 -10.300 7.534 1.00 0.00 N ATOM 0 H ARG A 24 9.693 -4.463 4.582 1.00 0.00 H new ATOM 0 HA ARG A 24 7.031 -3.723 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.823 -6.016 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.675 -6.040 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.654 -6.029 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.694 -5.530 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.336 -7.901 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.077 -7.696 4.925 1.00 0.00 H new ATOM 0 HE ARG A 24 8.240 -8.399 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.313 -8.911 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.985 -10.295 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.074 -10.215 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.113 -11.031 8.239 1.00 0.00 H new ATOM 362 N ARG A 25 9.044 -3.589 7.665 1.00 0.00 N ATOM 363 CA ARG A 25 9.207 -3.006 8.988 1.00 0.00 C ATOM 364 C ARG A 25 8.877 -1.513 8.959 1.00 0.00 C ATOM 365 O ARG A 25 8.150 -1.013 9.814 1.00 0.00 O ATOM 366 CB ARG A 25 10.644 -3.237 9.486 1.00 0.00 C ATOM 367 CG ARG A 25 11.064 -2.344 10.644 1.00 0.00 C ATOM 368 CD ARG A 25 10.188 -2.533 11.871 1.00 0.00 C ATOM 369 NE ARG A 25 10.516 -1.556 12.903 1.00 0.00 N ATOM 370 CZ ARG A 25 9.785 -1.337 13.992 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.676 -2.030 14.205 1.00 0.00 N ATOM 372 NH2 ARG A 25 10.172 -0.421 14.872 1.00 0.00 N ATOM 0 H ARG A 25 9.885 -4.034 7.297 1.00 0.00 H new ATOM 0 HA ARG A 25 8.516 -3.491 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.746 -4.278 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.332 -3.080 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.101 -2.557 10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.022 -1.301 10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.139 -2.434 11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.320 -3.541 12.264 1.00 0.00 H new ATOM 0 HE ARG A 25 11.364 -1.003 12.781 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.379 -2.736 13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.120 -1.857 15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.027 0.111 14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.614 -0.250 15.709 1.00 0.00 H new ATOM 386 N ARG A 26 9.394 -0.815 7.955 1.00 0.00 N ATOM 387 CA ARG A 26 9.172 0.613 7.827 1.00 0.00 C ATOM 388 C ARG A 26 7.698 0.906 7.561 1.00 0.00 C ATOM 389 O ARG A 26 7.107 1.777 8.197 1.00 0.00 O ATOM 390 CB ARG A 26 10.035 1.182 6.701 1.00 0.00 C ATOM 391 CG ARG A 26 10.099 2.693 6.715 1.00 0.00 C ATOM 392 CD ARG A 26 10.963 3.236 5.591 1.00 0.00 C ATOM 393 NE ARG A 26 11.259 4.653 5.783 1.00 0.00 N ATOM 394 CZ ARG A 26 12.020 5.380 4.971 1.00 0.00 C ATOM 395 NH1 ARG A 26 12.511 4.850 3.860 1.00 0.00 N ATOM 396 NH2 ARG A 26 12.284 6.645 5.270 1.00 0.00 N ATOM 0 H ARG A 26 9.971 -1.220 7.218 1.00 0.00 H new ATOM 0 HA ARG A 26 9.455 1.092 8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.045 0.780 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.638 0.849 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.091 3.099 6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.496 3.030 7.673 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.894 2.672 5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.453 3.095 4.638 1.00 0.00 H new ATOM 0 HE ARG A 26 10.854 5.117 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.306 3.879 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.094 5.413 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.903 7.058 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.868 7.205 4.648 1.00 0.00 H new ATOM 410 N LEU A 27 7.108 0.162 6.634 1.00 0.00 N ATOM 411 CA LEU A 27 5.701 0.330 6.294 1.00 0.00 C ATOM 412 C LEU A 27 4.818 0.082 7.511 1.00 0.00 C ATOM 413 O LEU A 27 3.919 0.873 7.808 1.00 0.00 O ATOM 414 CB LEU A 27 5.300 -0.621 5.162 1.00 0.00 C ATOM 415 CG LEU A 27 6.001 -0.382 3.822 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.561 -1.423 2.801 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.713 1.024 3.312 1.00 0.00 C ATOM 0 H LEU A 27 7.584 -0.566 6.102 1.00 0.00 H new ATOM 0 HA LEU A 27 5.559 1.357 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.502 -1.643 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.224 -0.542 5.009 1.00 0.00 H new ATOM 0 HG LEU A 27 7.076 -0.478 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.068 -1.240 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.817 -2.419 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.483 -1.356 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.219 1.176 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.639 1.149 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.075 1.755 4.035 1.00 0.00 H new ATOM 429 N MET A 28 5.095 -1.003 8.226 1.00 0.00 N ATOM 430 CA MET A 28 4.311 -1.366 9.404 1.00 0.00 C ATOM 431 C MET A 28 4.465 -0.320 10.499 1.00 0.00 C ATOM 432 O MET A 28 3.529 -0.045 11.250 1.00 0.00 O ATOM 433 CB MET A 28 4.733 -2.738 9.932 1.00 0.00 C ATOM 434 CG MET A 28 4.364 -3.890 9.011 1.00 0.00 C ATOM 435 SD MET A 28 4.973 -5.482 9.608 1.00 0.00 S ATOM 436 CE MET A 28 4.164 -5.576 11.203 1.00 0.00 C ATOM 0 H MET A 28 5.856 -1.647 8.012 1.00 0.00 H new ATOM 0 HA MET A 28 3.263 -1.410 9.108 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.812 -2.741 10.088 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.270 -2.901 10.905 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.280 -3.935 8.909 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.770 -3.700 8.017 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.172 -6.608 11.555 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.693 -4.945 11.917 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.134 -5.232 11.109 1.00 0.00 H new ATOM 446 N ASP A 29 5.649 0.269 10.573 1.00 0.00 N ATOM 447 CA ASP A 29 5.944 1.280 11.579 1.00 0.00 C ATOM 448 C ASP A 29 5.234 2.590 11.254 1.00 0.00 C ATOM 449 O ASP A 29 4.866 3.349 12.155 1.00 0.00 O ATOM 450 CB ASP A 29 7.454 1.499 11.676 1.00 0.00 C ATOM 451 CG ASP A 29 7.841 2.407 12.823 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.411 2.149 13.965 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.606 3.367 12.591 1.00 0.00 O ATOM 0 H ASP A 29 6.426 0.063 9.945 1.00 0.00 H new ATOM 0 HA ASP A 29 5.578 0.927 12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.949 0.536 11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.815 1.927 10.741 1.00 0.00 H new ATOM 458 N LEU A 30 5.029 2.849 9.964 1.00 0.00 N ATOM 459 CA LEU A 30 4.282 4.020 9.537 1.00 0.00 C ATOM 460 C LEU A 30 2.804 3.833 9.851 1.00 0.00 C ATOM 461 O LEU A 30 2.150 4.736 10.364 1.00 0.00 O ATOM 462 CB LEU A 30 4.472 4.263 8.037 1.00 0.00 C ATOM 463 CG LEU A 30 5.898 4.600 7.605 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.984 4.712 6.090 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.360 5.892 8.263 1.00 0.00 C ATOM 0 H LEU A 30 5.370 2.263 9.202 1.00 0.00 H new ATOM 0 HA LEU A 30 4.657 4.889 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.147 3.373 7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.815 5.078 7.732 1.00 0.00 H new ATOM 0 HG LEU A 30 6.557 3.794 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.007 4.953 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.692 3.764 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.314 5.500 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.378 6.118 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.698 6.707 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.335 5.777 9.347 1.00 0.00 H new ATOM 477 N GLY A 31 2.292 2.643 9.557 1.00 0.00 N ATOM 478 CA GLY A 31 0.898 2.355 9.818 1.00 0.00 C ATOM 479 C GLY A 31 0.337 1.277 8.912 1.00 0.00 C ATOM 480 O GLY A 31 -0.773 0.792 9.133 1.00 0.00 O ATOM 0 H GLY A 31 2.819 1.874 9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.785 2.044 10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.314 3.267 9.693 1.00 0.00 H new ATOM 484 N LEU A 32 1.103 0.893 7.898 1.00 0.00 N ATOM 485 CA LEU A 32 0.656 -0.118 6.954 1.00 0.00 C ATOM 486 C LEU A 32 0.843 -1.507 7.556 1.00 0.00 C ATOM 487 O LEU A 32 1.897 -2.127 7.421 1.00 0.00 O ATOM 488 CB LEU A 32 1.419 0.013 5.628 1.00 0.00 C ATOM 489 CG LEU A 32 0.694 -0.517 4.380 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.438 -0.102 3.122 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.548 -2.034 4.424 1.00 0.00 C ATOM 0 H LEU A 32 2.034 1.266 7.711 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.404 0.030 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.653 1.066 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.368 -0.514 5.724 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.305 -0.082 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.913 -0.484 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.486 0.986 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.449 -0.509 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.031 -2.376 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.535 -2.493 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.027 -2.319 5.305 1.00 0.00 H new ATOM 503 N VAL A 33 -0.180 -1.968 8.251 1.00 0.00 N ATOM 504 CA VAL A 33 -0.162 -3.279 8.876 1.00 0.00 C ATOM 505 C VAL A 33 -1.387 -4.073 8.449 1.00 0.00 C ATOM 506 O VAL A 33 -2.214 -3.582 7.683 1.00 0.00 O ATOM 507 CB VAL A 33 -0.144 -3.176 10.420 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.137 -2.512 10.901 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.365 -2.418 10.926 1.00 0.00 C ATOM 0 H VAL A 33 -1.044 -1.447 8.398 1.00 0.00 H new ATOM 0 HA VAL A 33 0.748 -3.784 8.552 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.178 -4.187 10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.128 -2.450 11.989 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.996 -3.101 10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.207 -1.509 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.331 -2.358 12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.368 -1.412 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.271 -2.941 10.620 1.00 0.00 H new ATOM 519 N ARG A 34 -1.498 -5.296 8.939 1.00 0.00 N ATOM 520 CA ARG A 34 -2.681 -6.105 8.692 1.00 0.00 C ATOM 521 C ARG A 34 -3.881 -5.464 9.381 1.00 0.00 C ATOM 522 O ARG A 34 -3.920 -5.356 10.606 1.00 0.00 O ATOM 523 CB ARG A 34 -2.461 -7.532 9.206 1.00 0.00 C ATOM 524 CG ARG A 34 -3.685 -8.432 9.101 1.00 0.00 C ATOM 525 CD ARG A 34 -3.422 -9.786 9.740 1.00 0.00 C ATOM 526 NE ARG A 34 -2.858 -9.642 11.082 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.961 -10.477 11.609 1.00 0.00 C ATOM 528 NH1 ARG A 34 -1.646 -11.604 10.981 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.392 -10.193 12.775 1.00 0.00 N ATOM 0 H ARG A 34 -0.785 -5.751 9.509 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.872 -6.156 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.643 -7.985 8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.147 -7.486 10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.535 -7.955 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.953 -8.566 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.352 -10.352 9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.736 -10.358 9.115 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.170 -8.854 11.650 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.090 -11.834 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.960 -12.240 11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.641 -9.336 13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.706 -10.832 13.177 1.00 0.00 H new ATOM 543 N GLY A 35 -4.841 -5.014 8.591 1.00 0.00 N ATOM 544 CA GLY A 35 -5.990 -4.329 9.146 1.00 0.00 C ATOM 545 C GLY A 35 -5.949 -2.835 8.886 1.00 0.00 C ATOM 546 O GLY A 35 -6.830 -2.095 9.329 1.00 0.00 O ATOM 0 H GLY A 35 -4.847 -5.110 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.901 -4.746 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.033 -4.508 10.220 1.00 0.00 H new ATOM 550 N ALA A 36 -4.902 -2.383 8.207 1.00 0.00 N ATOM 551 CA ALA A 36 -4.813 -0.998 7.776 1.00 0.00 C ATOM 552 C ALA A 36 -5.706 -0.749 6.567 1.00 0.00 C ATOM 553 O ALA A 36 -5.470 -1.296 5.488 1.00 0.00 O ATOM 554 CB ALA A 36 -3.374 -0.633 7.452 1.00 0.00 C ATOM 0 H ALA A 36 -4.102 -2.959 7.944 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.158 -0.365 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.326 0.408 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.756 -0.768 8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.007 -1.277 6.653 1.00 0.00 H new ATOM 560 N LYS A 37 -6.731 0.070 6.754 1.00 0.00 N ATOM 561 CA LYS A 37 -7.601 0.466 5.655 1.00 0.00 C ATOM 562 C LYS A 37 -6.909 1.528 4.821 1.00 0.00 C ATOM 563 O LYS A 37 -6.448 2.543 5.352 1.00 0.00 O ATOM 564 CB LYS A 37 -8.943 1.011 6.162 1.00 0.00 C ATOM 565 CG LYS A 37 -9.905 -0.043 6.698 1.00 0.00 C ATOM 566 CD LYS A 37 -9.341 -0.782 7.895 1.00 0.00 C ATOM 567 CE LYS A 37 -10.351 -1.752 8.477 1.00 0.00 C ATOM 568 NZ LYS A 37 -9.710 -2.714 9.407 1.00 0.00 N ATOM 0 H LYS A 37 -6.981 0.474 7.657 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.803 -0.418 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.748 1.738 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.431 1.547 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.844 0.434 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.134 -0.758 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.443 -1.324 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.042 -0.064 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.127 -1.197 9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.841 -2.297 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.676 -3.655 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.743 -2.397 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.261 -2.765 10.288 1.00 0.00 H new ATOM 582 N LEU A 38 -6.827 1.306 3.525 1.00 0.00 N ATOM 583 CA LEU A 38 -6.132 2.230 2.659 1.00 0.00 C ATOM 584 C LEU A 38 -6.901 2.462 1.370 1.00 0.00 C ATOM 585 O LEU A 38 -7.724 1.641 0.960 1.00 0.00 O ATOM 586 CB LEU A 38 -4.726 1.717 2.339 1.00 0.00 C ATOM 587 CG LEU A 38 -4.664 0.469 1.459 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.262 0.292 0.906 1.00 0.00 C ATOM 589 CD2 LEU A 38 -5.071 -0.773 2.232 1.00 0.00 C ATOM 0 H LEU A 38 -7.231 0.498 3.052 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.053 3.180 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.171 2.515 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.214 1.504 3.277 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.366 0.604 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.228 -0.600 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.993 1.164 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.557 0.184 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.016 -1.643 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.398 -0.912 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.092 -0.657 2.596 1.00 0.00 H new ATOM 601 N LYS A 39 -6.631 3.595 0.747 1.00 0.00 N ATOM 602 CA LYS A 39 -7.233 3.943 -0.526 1.00 0.00 C ATOM 603 C LYS A 39 -6.162 4.431 -1.491 1.00 0.00 C ATOM 604 O LYS A 39 -5.314 5.251 -1.127 1.00 0.00 O ATOM 605 CB LYS A 39 -8.303 5.021 -0.330 1.00 0.00 C ATOM 606 CG LYS A 39 -8.807 5.626 -1.630 1.00 0.00 C ATOM 607 CD LYS A 39 -9.903 6.643 -1.379 1.00 0.00 C ATOM 608 CE LYS A 39 -10.219 7.441 -2.632 1.00 0.00 C ATOM 609 NZ LYS A 39 -11.405 8.315 -2.448 1.00 0.00 N ATOM 0 H LYS A 39 -5.988 4.299 1.110 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.708 3.056 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.146 4.590 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.896 5.815 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.980 6.103 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.184 4.835 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.803 6.133 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.596 7.321 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.357 8.051 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.397 6.758 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.587 8.842 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.234 7.731 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.226 8.985 -1.673 1.00 0.00 H new ATOM 623 N VAL A 40 -6.193 3.911 -2.709 1.00 0.00 N ATOM 624 CA VAL A 40 -5.267 4.335 -3.746 1.00 0.00 C ATOM 625 C VAL A 40 -5.654 5.715 -4.253 1.00 0.00 C ATOM 626 O VAL A 40 -6.735 5.901 -4.809 1.00 0.00 O ATOM 627 CB VAL A 40 -5.235 3.331 -4.919 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.320 3.821 -6.030 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.788 1.966 -4.425 1.00 0.00 C ATOM 0 H VAL A 40 -6.853 3.191 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.268 4.374 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.242 3.246 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.315 3.096 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.680 4.781 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.308 3.938 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.769 1.265 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.790 2.044 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.484 1.608 -3.667 1.00 0.00 H new ATOM 639 N LEU A 41 -4.772 6.680 -4.036 1.00 0.00 N ATOM 640 CA LEU A 41 -5.050 8.065 -4.380 1.00 0.00 C ATOM 641 C LEU A 41 -4.859 8.300 -5.871 1.00 0.00 C ATOM 642 O LEU A 41 -5.767 8.778 -6.557 1.00 0.00 O ATOM 643 CB LEU A 41 -4.139 9.003 -3.582 1.00 0.00 C ATOM 644 CG LEU A 41 -4.238 8.872 -2.063 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.187 9.736 -1.390 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.630 9.251 -1.584 1.00 0.00 C ATOM 0 H LEU A 41 -3.853 6.527 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.089 8.277 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.106 8.820 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.373 10.031 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.056 7.832 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.269 9.633 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.195 9.418 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.341 10.779 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.681 9.151 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.843 10.283 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.365 8.591 -2.044 1.00 0.00 H new ATOM 658 N ARG A 42 -3.671 7.968 -6.363 1.00 0.00 N ATOM 659 CA ARG A 42 -3.341 8.151 -7.767 1.00 0.00 C ATOM 660 C ARG A 42 -2.033 7.434 -8.078 1.00 0.00 C ATOM 661 O ARG A 42 -1.280 7.078 -7.169 1.00 0.00 O ATOM 662 CB ARG A 42 -3.208 9.644 -8.099 1.00 0.00 C ATOM 663 CG ARG A 42 -3.218 9.953 -9.591 1.00 0.00 C ATOM 664 CD ARG A 42 -4.606 9.786 -10.195 1.00 0.00 C ATOM 665 NE ARG A 42 -5.535 10.807 -9.712 1.00 0.00 N ATOM 666 CZ ARG A 42 -6.803 10.923 -10.115 1.00 0.00 C ATOM 667 NH1 ARG A 42 -7.315 10.079 -11.004 1.00 0.00 N ATOM 668 NH2 ARG A 42 -7.559 11.895 -9.630 1.00 0.00 N ATOM 0 H ARG A 42 -2.917 7.568 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.142 7.731 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.024 10.186 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.280 10.020 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.872 10.974 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.517 9.294 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.539 9.841 -11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.993 8.797 -9.949 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.192 11.475 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.738 9.331 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.285 10.179 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.173 12.551 -8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.528 11.988 -9.935 1.00 0.00 H new ATOM 682 N PHE A 43 -1.778 7.216 -9.354 1.00 0.00 N ATOM 683 CA PHE A 43 -0.537 6.605 -9.798 1.00 0.00 C ATOM 684 C PHE A 43 0.329 7.655 -10.475 1.00 0.00 C ATOM 685 O PHE A 43 -0.190 8.624 -11.031 1.00 0.00 O ATOM 686 CB PHE A 43 -0.818 5.467 -10.783 1.00 0.00 C ATOM 687 CG PHE A 43 -1.644 4.347 -10.212 1.00 0.00 C ATOM 688 CD1 PHE A 43 -3.029 4.376 -10.288 1.00 0.00 C ATOM 689 CD2 PHE A 43 -1.034 3.261 -9.606 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.786 3.343 -9.770 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.788 2.226 -9.086 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.165 2.267 -9.168 1.00 0.00 C ATOM 0 H PHE A 43 -2.420 7.455 -10.109 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.018 6.197 -8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.331 5.874 -11.654 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.131 5.061 -11.133 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.521 5.215 -10.757 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.043 3.223 -9.539 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.863 3.377 -9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.300 1.385 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.756 1.459 -8.762 1.00 0.00 H new ATOM 702 N ALA A 44 1.637 7.475 -10.416 1.00 0.00 N ATOM 703 CA ALA A 44 2.550 8.342 -11.147 1.00 0.00 C ATOM 704 C ALA A 44 2.384 8.119 -12.650 1.00 0.00 C ATOM 705 O ALA A 44 1.768 7.134 -13.058 1.00 0.00 O ATOM 706 CB ALA A 44 3.981 8.077 -10.710 1.00 0.00 C ATOM 0 H ALA A 44 2.091 6.741 -9.873 1.00 0.00 H new ATOM 0 HA ALA A 44 2.316 9.383 -10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.657 8.730 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.078 8.274 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.236 7.037 -10.912 1.00 0.00 H new ATOM 712 N PRO A 45 2.926 9.019 -13.499 1.00 0.00 N ATOM 713 CA PRO A 45 2.789 8.933 -14.971 1.00 0.00 C ATOM 714 C PRO A 45 3.358 7.645 -15.587 1.00 0.00 C ATOM 715 O PRO A 45 3.379 7.493 -16.806 1.00 0.00 O ATOM 716 CB PRO A 45 3.579 10.149 -15.477 1.00 0.00 C ATOM 717 CG PRO A 45 4.467 10.533 -14.347 1.00 0.00 C ATOM 718 CD PRO A 45 3.700 10.210 -13.102 1.00 0.00 C ATOM 0 HA PRO A 45 1.737 8.920 -15.255 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.158 9.900 -16.366 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.912 10.967 -15.749 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.407 9.982 -14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.718 11.593 -14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.362 10.001 -12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.052 11.033 -12.801 1.00 0.00 H new ATOM 726 N LEU A 46 3.802 6.718 -14.752 1.00 0.00 N ATOM 727 CA LEU A 46 4.341 5.451 -15.226 1.00 0.00 C ATOM 728 C LEU A 46 3.740 4.293 -14.434 1.00 0.00 C ATOM 729 O LEU A 46 4.219 3.163 -14.506 1.00 0.00 O ATOM 730 CB LEU A 46 5.867 5.437 -15.086 1.00 0.00 C ATOM 731 CG LEU A 46 6.621 6.447 -15.955 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.106 6.432 -15.624 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.407 6.146 -17.431 1.00 0.00 C ATOM 0 H LEU A 46 3.800 6.820 -13.737 1.00 0.00 H new ATOM 0 HA LEU A 46 4.080 5.336 -16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.120 5.623 -14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.227 4.437 -15.328 1.00 0.00 H new ATOM 0 HG LEU A 46 6.228 7.441 -15.743 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.626 7.156 -16.251 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.248 6.693 -14.575 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.510 5.436 -15.808 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.950 6.874 -18.033 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.773 5.144 -17.655 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.344 6.204 -17.664 1.00 0.00 H new ATOM 745 N GLY A 47 2.685 4.584 -13.675 1.00 0.00 N ATOM 746 CA GLY A 47 2.057 3.572 -12.840 1.00 0.00 C ATOM 747 C GLY A 47 2.882 3.270 -11.606 1.00 0.00 C ATOM 748 O GLY A 47 2.548 2.382 -10.823 1.00 0.00 O ATOM 0 H GLY A 47 2.253 5.506 -13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.066 3.912 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.919 2.658 -13.418 1.00 0.00 H new ATOM 752 N ASP A 48 3.956 4.030 -11.442 1.00 0.00 N ATOM 753 CA ASP A 48 4.899 3.850 -10.350 1.00 0.00 C ATOM 754 C ASP A 48 5.715 5.127 -10.172 1.00 0.00 C ATOM 755 O ASP A 48 6.215 5.682 -11.152 1.00 0.00 O ATOM 756 CB ASP A 48 5.823 2.664 -10.651 1.00 0.00 C ATOM 757 CG ASP A 48 7.021 2.604 -9.729 1.00 0.00 C ATOM 758 OD1 ASP A 48 6.839 2.366 -8.516 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.158 2.807 -10.211 1.00 0.00 O ATOM 0 H ASP A 48 4.198 4.796 -12.070 1.00 0.00 H new ATOM 0 HA ASP A 48 4.356 3.642 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.256 1.737 -10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.168 2.731 -11.683 1.00 0.00 H new ATOM 764 N PRO A 49 5.857 5.626 -8.932 1.00 0.00 N ATOM 765 CA PRO A 49 5.293 4.996 -7.729 1.00 0.00 C ATOM 766 C PRO A 49 3.790 5.235 -7.559 1.00 0.00 C ATOM 767 O PRO A 49 3.108 5.703 -8.477 1.00 0.00 O ATOM 768 CB PRO A 49 6.073 5.675 -6.607 1.00 0.00 C ATOM 769 CG PRO A 49 6.360 7.034 -7.133 1.00 0.00 C ATOM 770 CD PRO A 49 6.598 6.859 -8.606 1.00 0.00 C ATOM 0 HA PRO A 49 5.384 3.910 -7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.490 5.719 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.991 5.135 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.524 7.709 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.233 7.467 -6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.229 7.711 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.660 6.760 -8.832 1.00 0.00 H new ATOM 778 N ILE A 50 3.280 4.901 -6.378 1.00 0.00 N ATOM 779 CA ILE A 50 1.853 5.002 -6.096 1.00 0.00 C ATOM 780 C ILE A 50 1.604 5.790 -4.810 1.00 0.00 C ATOM 781 O ILE A 50 2.327 5.630 -3.824 1.00 0.00 O ATOM 782 CB ILE A 50 1.220 3.598 -5.944 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.576 2.711 -7.143 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.293 3.707 -5.796 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.085 1.283 -7.011 1.00 0.00 C ATOM 0 H ILE A 50 3.838 4.556 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 50 1.394 5.522 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 50 1.625 3.137 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.153 3.149 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.659 2.703 -7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.721 2.710 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.530 4.299 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.711 4.190 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.374 0.716 -7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.529 0.826 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.001 1.279 -6.916 1.00 0.00 H new ATOM 797 N GLU A 51 0.586 6.646 -4.829 1.00 0.00 N ATOM 798 CA GLU A 51 0.172 7.371 -3.634 1.00 0.00 C ATOM 799 C GLU A 51 -0.989 6.649 -2.965 1.00 0.00 C ATOM 800 O GLU A 51 -2.027 6.422 -3.593 1.00 0.00 O ATOM 801 CB GLU A 51 -0.266 8.798 -3.977 1.00 0.00 C ATOM 802 CG GLU A 51 0.806 9.641 -4.640 1.00 0.00 C ATOM 803 CD GLU A 51 0.379 11.086 -4.798 1.00 0.00 C ATOM 804 OE1 GLU A 51 -0.445 11.377 -5.690 1.00 0.00 O ATOM 805 OE2 GLU A 51 0.863 11.941 -4.025 1.00 0.00 O ATOM 0 H GLU A 51 0.033 6.854 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 51 1.027 7.416 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.133 8.750 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.588 9.296 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.720 9.596 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.041 9.224 -5.619 1.00 0.00 H new ATOM 812 N VAL A 52 -0.825 6.289 -1.701 1.00 0.00 N ATOM 813 CA VAL A 52 -1.888 5.610 -0.973 1.00 0.00 C ATOM 814 C VAL A 52 -2.202 6.314 0.344 1.00 0.00 C ATOM 815 O VAL A 52 -1.310 6.812 1.032 1.00 0.00 O ATOM 816 CB VAL A 52 -1.555 4.124 -0.694 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.549 3.323 -1.986 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.222 3.985 0.030 1.00 0.00 C ATOM 0 H VAL A 52 0.025 6.453 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.766 5.648 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.333 3.724 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.313 2.282 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.531 3.382 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.799 3.731 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.015 2.930 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.572 4.410 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.268 4.515 0.981 1.00 0.00 H new ATOM 828 N ASN A 53 -3.483 6.374 0.672 1.00 0.00 N ATOM 829 CA ASN A 53 -3.924 6.904 1.954 1.00 0.00 C ATOM 830 C ASN A 53 -4.127 5.747 2.918 1.00 0.00 C ATOM 831 O ASN A 53 -5.128 5.035 2.839 1.00 0.00 O ATOM 832 CB ASN A 53 -5.226 7.704 1.786 1.00 0.00 C ATOM 833 CG ASN A 53 -5.712 8.360 3.076 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.489 7.860 4.178 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.392 9.490 2.942 1.00 0.00 N ATOM 0 H ASN A 53 -4.240 6.060 0.065 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.167 7.580 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.074 8.475 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.005 7.040 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.748 9.972 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.559 9.878 2.013 1.00 0.00 H new ATOM 842 N CYS A 54 -3.167 5.543 3.803 1.00 0.00 N ATOM 843 CA CYS A 54 -3.235 4.446 4.749 1.00 0.00 C ATOM 844 C CYS A 54 -3.564 4.966 6.143 1.00 0.00 C ATOM 845 O CYS A 54 -2.773 5.692 6.745 1.00 0.00 O ATOM 846 CB CYS A 54 -1.912 3.676 4.768 1.00 0.00 C ATOM 847 SG CYS A 54 -1.946 2.172 5.770 1.00 0.00 S ATOM 0 H CYS A 54 -2.332 6.123 3.885 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.028 3.767 4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.643 3.412 3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.128 4.333 5.144 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.599 2.399 6.871 1.00 0.00 H new ATOM 853 N ASN A 55 -4.754 4.617 6.625 1.00 0.00 N ATOM 854 CA ASN A 55 -5.199 4.971 7.976 1.00 0.00 C ATOM 855 C ASN A 55 -5.212 6.484 8.195 1.00 0.00 C ATOM 856 O ASN A 55 -5.044 6.965 9.318 1.00 0.00 O ATOM 857 CB ASN A 55 -4.328 4.278 9.036 1.00 0.00 C ATOM 858 CG ASN A 55 -4.577 2.780 9.104 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.678 2.303 8.821 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.558 2.023 9.483 1.00 0.00 N ATOM 0 H ASN A 55 -5.439 4.081 6.092 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.225 4.617 8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.277 4.459 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.527 4.721 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.671 1.011 9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.661 2.452 9.710 1.00 0.00 H new ATOM 867 N GLY A 56 -5.440 7.231 7.122 1.00 0.00 N ATOM 868 CA GLY A 56 -5.553 8.672 7.230 1.00 0.00 C ATOM 869 C GLY A 56 -4.248 9.384 6.937 1.00 0.00 C ATOM 870 O GLY A 56 -4.177 10.613 6.992 1.00 0.00 O ATOM 0 H GLY A 56 -5.549 6.863 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.318 9.025 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.887 8.932 8.235 1.00 0.00 H new ATOM 874 N MET A 57 -3.213 8.618 6.631 1.00 0.00 N ATOM 875 CA MET A 57 -1.910 9.184 6.321 1.00 0.00 C ATOM 876 C MET A 57 -1.594 9.034 4.842 1.00 0.00 C ATOM 877 O MET A 57 -1.887 8.006 4.232 1.00 0.00 O ATOM 878 CB MET A 57 -0.827 8.529 7.179 1.00 0.00 C ATOM 879 CG MET A 57 -0.902 8.928 8.646 1.00 0.00 C ATOM 880 SD MET A 57 0.253 8.009 9.680 1.00 0.00 S ATOM 881 CE MET A 57 -0.433 6.357 9.550 1.00 0.00 C ATOM 0 H MET A 57 -3.250 7.599 6.591 1.00 0.00 H new ATOM 0 HA MET A 57 -1.933 10.249 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.915 7.446 7.099 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.153 8.799 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.696 9.994 8.739 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.917 8.766 9.010 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.194 5.792 10.451 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.515 6.420 9.438 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.007 5.854 8.682 1.00 0.00 H new ATOM 891 N LEU A 58 -1.020 10.077 4.267 1.00 0.00 N ATOM 892 CA LEU A 58 -0.646 10.071 2.863 1.00 0.00 C ATOM 893 C LEU A 58 0.818 9.682 2.718 1.00 0.00 C ATOM 894 O LEU A 58 1.709 10.479 3.008 1.00 0.00 O ATOM 895 CB LEU A 58 -0.876 11.453 2.240 1.00 0.00 C ATOM 896 CG LEU A 58 -2.274 12.040 2.437 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.370 13.409 1.782 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.338 11.106 1.880 1.00 0.00 C ATOM 0 H LEU A 58 -0.801 10.945 4.755 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.268 9.343 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.147 12.147 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.676 11.388 1.171 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.450 12.153 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.371 13.814 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.637 14.079 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.171 13.316 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.324 11.546 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.168 10.956 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.285 10.147 2.394 1.00 0.00 H new ATOM 910 N LEU A 59 1.066 8.455 2.293 1.00 0.00 N ATOM 911 CA LEU A 59 2.428 7.984 2.118 1.00 0.00 C ATOM 912 C LEU A 59 2.617 7.402 0.725 1.00 0.00 C ATOM 913 O LEU A 59 1.787 6.630 0.239 1.00 0.00 O ATOM 914 CB LEU A 59 2.840 6.969 3.208 1.00 0.00 C ATOM 915 CG LEU A 59 1.810 5.897 3.605 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.506 4.724 4.294 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.755 6.477 4.542 1.00 0.00 C ATOM 0 H LEU A 59 0.346 7.770 2.064 1.00 0.00 H new ATOM 0 HA LEU A 59 3.087 8.845 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.742 6.460 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.107 7.528 4.105 1.00 0.00 H new ATOM 0 HG LEU A 59 1.321 5.548 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.766 3.973 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.235 4.283 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.015 5.078 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.038 5.700 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.237 6.851 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.235 7.295 4.043 1.00 0.00 H new ATOM 929 N THR A 60 3.699 7.799 0.077 1.00 0.00 N ATOM 930 CA THR A 60 3.972 7.369 -1.280 1.00 0.00 C ATOM 931 C THR A 60 5.066 6.307 -1.305 1.00 0.00 C ATOM 932 O THR A 60 6.185 6.539 -0.841 1.00 0.00 O ATOM 933 CB THR A 60 4.394 8.560 -2.161 1.00 0.00 C ATOM 934 OG1 THR A 60 3.393 9.588 -2.100 1.00 0.00 O ATOM 935 CG2 THR A 60 4.592 8.125 -3.604 1.00 0.00 C ATOM 0 H THR A 60 4.404 8.421 0.472 1.00 0.00 H new ATOM 0 HA THR A 60 3.052 6.941 -1.679 1.00 0.00 H new ATOM 0 HB THR A 60 5.341 8.947 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.666 10.344 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.890 8.984 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.369 7.362 -3.651 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.659 7.716 -3.992 1.00 0.00 H new ATOM 943 N MET A 61 4.737 5.144 -1.847 1.00 0.00 N ATOM 944 CA MET A 61 5.690 4.051 -1.947 1.00 0.00 C ATOM 945 C MET A 61 5.801 3.582 -3.391 1.00 0.00 C ATOM 946 O MET A 61 5.082 4.067 -4.264 1.00 0.00 O ATOM 947 CB MET A 61 5.288 2.899 -1.015 1.00 0.00 C ATOM 948 CG MET A 61 3.831 2.471 -1.138 1.00 0.00 C ATOM 949 SD MET A 61 3.460 1.647 -2.697 1.00 0.00 S ATOM 950 CE MET A 61 1.685 1.506 -2.583 1.00 0.00 C ATOM 0 H MET A 61 3.813 4.933 -2.225 1.00 0.00 H new ATOM 0 HA MET A 61 6.670 4.407 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.926 2.040 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.481 3.197 0.016 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.585 1.802 -0.314 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.192 3.348 -1.038 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.297 1.047 -3.492 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.424 0.888 -1.724 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.248 2.497 -2.463 1.00 0.00 H new ATOM 960 N ARG A 62 6.699 2.642 -3.640 1.00 0.00 N ATOM 961 CA ARG A 62 6.979 2.193 -4.998 1.00 0.00 C ATOM 962 C ARG A 62 6.063 1.027 -5.374 1.00 0.00 C ATOM 963 O ARG A 62 5.659 0.249 -4.511 1.00 0.00 O ATOM 964 CB ARG A 62 8.450 1.784 -5.108 1.00 0.00 C ATOM 965 CG ARG A 62 9.410 2.788 -4.480 1.00 0.00 C ATOM 966 CD ARG A 62 9.359 4.145 -5.170 1.00 0.00 C ATOM 967 NE ARG A 62 10.442 4.319 -6.137 1.00 0.00 N ATOM 968 CZ ARG A 62 10.344 4.040 -7.431 1.00 0.00 C ATOM 969 NH1 ARG A 62 9.214 3.569 -7.923 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.379 4.243 -8.233 1.00 0.00 N ATOM 0 H ARG A 62 7.248 2.173 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 62 6.786 3.010 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.586 0.815 -4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.706 1.658 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.166 2.910 -3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.426 2.396 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.401 4.256 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.415 4.934 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 62 11.333 4.679 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.414 3.419 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.141 3.355 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.251 4.614 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.303 4.029 -9.227 1.00 0.00 H new ATOM 984 N ARG A 63 5.750 0.897 -6.659 1.00 0.00 N ATOM 985 CA ARG A 63 4.813 -0.124 -7.123 1.00 0.00 C ATOM 986 C ARG A 63 5.345 -1.524 -6.841 1.00 0.00 C ATOM 987 O ARG A 63 4.577 -2.448 -6.575 1.00 0.00 O ATOM 988 CB ARG A 63 4.542 0.027 -8.621 1.00 0.00 C ATOM 989 CG ARG A 63 3.413 -0.857 -9.127 1.00 0.00 C ATOM 990 CD ARG A 63 3.297 -0.805 -10.639 1.00 0.00 C ATOM 991 NE ARG A 63 2.149 -1.570 -11.129 1.00 0.00 N ATOM 992 CZ ARG A 63 2.245 -2.761 -11.722 1.00 0.00 C ATOM 993 NH1 ARG A 63 3.423 -3.369 -11.814 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.156 -3.358 -12.191 1.00 0.00 N ATOM 0 H ARG A 63 6.131 1.486 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 63 3.880 0.015 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.301 1.068 -8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.452 -0.209 -9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.586 -1.886 -8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.472 -0.539 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.204 0.233 -10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.211 -1.197 -11.086 1.00 0.00 H new ATOM 0 HE ARG A 63 1.219 -1.168 -11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.257 -2.925 -11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.493 -4.280 -12.268 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.246 -2.906 -12.098 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.229 -4.269 -12.645 1.00 0.00 H new ATOM 1008 N ASN A 64 6.665 -1.668 -6.891 1.00 0.00 N ATOM 1009 CA ASN A 64 7.310 -2.945 -6.603 1.00 0.00 C ATOM 1010 C ASN A 64 7.056 -3.363 -5.158 1.00 0.00 C ATOM 1011 O ASN A 64 6.985 -4.555 -4.853 1.00 0.00 O ATOM 1012 CB ASN A 64 8.817 -2.874 -6.895 1.00 0.00 C ATOM 1013 CG ASN A 64 9.501 -1.696 -6.227 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.530 -0.595 -6.772 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.074 -1.917 -5.057 1.00 0.00 N ATOM 0 H ASN A 64 7.311 -0.915 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 64 6.875 -3.701 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.289 -3.798 -6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.969 -2.811 -7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.561 -1.160 -4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.030 -2.844 -4.634 1.00 0.00 H new ATOM 1022 N GLU A 65 6.893 -2.378 -4.281 1.00 0.00 N ATOM 1023 CA GLU A 65 6.566 -2.642 -2.887 1.00 0.00 C ATOM 1024 C GLU A 65 5.110 -3.083 -2.787 1.00 0.00 C ATOM 1025 O GLU A 65 4.768 -4.014 -2.061 1.00 0.00 O ATOM 1026 CB GLU A 65 6.789 -1.389 -2.037 1.00 0.00 C ATOM 1027 CG GLU A 65 8.117 -0.698 -2.308 1.00 0.00 C ATOM 1028 CD GLU A 65 9.331 -1.479 -1.839 1.00 0.00 C ATOM 1029 OE1 GLU A 65 9.395 -2.698 -2.079 1.00 0.00 O ATOM 1030 OE2 GLU A 65 10.254 -0.856 -1.269 1.00 0.00 O ATOM 0 H GLU A 65 6.982 -1.389 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 65 7.216 -3.433 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.978 -0.685 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.739 -1.662 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.207 -0.516 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.114 0.276 -1.818 1.00 0.00 H new ATOM 1037 N ALA A 66 4.266 -2.411 -3.565 1.00 0.00 N ATOM 1038 CA ALA A 66 2.832 -2.671 -3.585 1.00 0.00 C ATOM 1039 C ALA A 66 2.515 -4.057 -4.139 1.00 0.00 C ATOM 1040 O ALA A 66 1.456 -4.618 -3.858 1.00 0.00 O ATOM 1041 CB ALA A 66 2.123 -1.603 -4.398 1.00 0.00 C ATOM 0 H ALA A 66 4.559 -1.669 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 66 2.473 -2.640 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.052 -1.805 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.304 -0.625 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.503 -1.611 -5.419 1.00 0.00 H new ATOM 1047 N GLU A 67 3.414 -4.587 -4.963 1.00 0.00 N ATOM 1048 CA GLU A 67 3.254 -5.932 -5.509 1.00 0.00 C ATOM 1049 C GLU A 67 3.240 -6.975 -4.400 1.00 0.00 C ATOM 1050 O GLU A 67 2.428 -7.897 -4.414 1.00 0.00 O ATOM 1051 CB GLU A 67 4.370 -6.254 -6.502 1.00 0.00 C ATOM 1052 CG GLU A 67 4.290 -5.454 -7.787 1.00 0.00 C ATOM 1053 CD GLU A 67 5.388 -5.823 -8.758 1.00 0.00 C ATOM 1054 OE1 GLU A 67 5.350 -6.945 -9.306 1.00 0.00 O ATOM 1055 OE2 GLU A 67 6.291 -4.995 -8.982 1.00 0.00 O ATOM 0 H GLU A 67 4.261 -4.106 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 67 2.297 -5.961 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.333 -6.066 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.335 -7.316 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.321 -5.620 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.354 -4.391 -7.556 1.00 0.00 H new ATOM 1062 N GLY A 68 4.153 -6.829 -3.448 1.00 0.00 N ATOM 1063 CA GLY A 68 4.198 -7.738 -2.319 1.00 0.00 C ATOM 1064 C GLY A 68 2.981 -7.605 -1.423 1.00 0.00 C ATOM 1065 O GLY A 68 2.545 -8.573 -0.794 1.00 0.00 O ATOM 0 H GLY A 68 4.863 -6.097 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.268 -8.763 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.098 -7.545 -1.736 1.00 0.00 H new ATOM 1069 N ILE A 69 2.428 -6.402 -1.366 1.00 0.00 N ATOM 1070 CA ILE A 69 1.300 -6.118 -0.493 1.00 0.00 C ATOM 1071 C ILE A 69 0.015 -6.722 -1.046 1.00 0.00 C ATOM 1072 O ILE A 69 -0.432 -6.369 -2.137 1.00 0.00 O ATOM 1073 CB ILE A 69 1.111 -4.599 -0.304 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.429 -3.955 0.136 1.00 0.00 C ATOM 1075 CG2 ILE A 69 0.019 -4.326 0.724 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.377 -2.443 0.216 1.00 0.00 C ATOM 0 H ILE A 69 2.745 -5.604 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 69 1.519 -6.570 0.474 1.00 0.00 H new ATOM 0 HB ILE A 69 0.808 -4.162 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.707 -4.351 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.215 -4.245 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.104 -3.250 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.920 -4.761 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.299 -4.771 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.347 -2.062 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.130 -2.035 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.616 -2.143 0.936 1.00 0.00 H new ATOM 1088 N THR A 70 -0.562 -7.640 -0.288 1.00 0.00 N ATOM 1089 CA THR A 70 -1.802 -8.288 -0.670 1.00 0.00 C ATOM 1090 C THR A 70 -2.979 -7.616 0.038 1.00 0.00 C ATOM 1091 O THR A 70 -3.003 -7.516 1.270 1.00 0.00 O ATOM 1092 CB THR A 70 -1.760 -9.782 -0.306 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.559 -10.367 -0.833 1.00 0.00 O ATOM 1094 CG2 THR A 70 -2.972 -10.519 -0.854 1.00 0.00 C ATOM 0 H THR A 70 -0.184 -7.955 0.606 1.00 0.00 H new ATOM 0 HA THR A 70 -1.928 -8.193 -1.748 1.00 0.00 H new ATOM 0 HB THR A 70 -1.773 -9.871 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.529 -11.319 -0.601 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.912 -11.572 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.881 -10.086 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.993 -10.428 -1.940 1.00 0.00 H new ATOM 1102 N VAL A 71 -3.934 -7.143 -0.742 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.087 -6.439 -0.206 1.00 0.00 C ATOM 1104 C VAL A 71 -6.381 -7.075 -0.695 1.00 0.00 C ATOM 1105 O VAL A 71 -6.381 -7.865 -1.642 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.091 -4.948 -0.610 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.832 -4.249 -0.125 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.242 -4.795 -2.117 1.00 0.00 C ATOM 0 H VAL A 71 -3.934 -7.234 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.019 -6.511 0.880 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.948 -4.474 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.860 -3.201 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.774 -4.316 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.957 -4.728 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.242 -3.736 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.411 -5.292 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.181 -5.247 -2.436 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.476 -6.730 -0.039 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.795 -7.138 -0.483 1.00 0.00 C ATOM 1120 C HIS A 72 -9.712 -5.923 -0.494 1.00 0.00 C ATOM 1121 O HIS A 72 -9.810 -5.206 0.504 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.361 -8.238 0.425 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.634 -8.846 -0.091 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -10.621 -9.943 -0.920 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.917 -8.466 0.120 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -11.888 -10.202 -1.196 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.712 -9.334 -0.587 1.00 0.00 N ATOM 0 H HIS A 72 -7.475 -6.164 0.809 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.725 -7.548 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.614 -9.023 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.542 -7.822 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.251 -7.638 0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.219 -11.010 -1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.731 -9.322 -0.639 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.356 -5.682 -1.627 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.230 -4.527 -1.789 1.00 0.00 C ATOM 1137 C ILE A 73 -12.390 -4.576 -0.799 1.00 0.00 C ATOM 1138 O ILE A 73 -13.076 -5.593 -0.675 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.773 -4.437 -3.232 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.619 -4.226 -4.217 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.800 -3.316 -3.363 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.061 -4.148 -5.664 1.00 0.00 C ATOM 0 H ILE A 73 -10.289 -6.275 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.635 -3.637 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.272 -5.377 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.094 -3.307 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.906 -5.043 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.165 -3.275 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.634 -3.506 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.335 -2.364 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.191 -3.998 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.560 -5.076 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.751 -3.314 -5.789 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.593 -3.477 -0.088 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.641 -3.402 0.919 1.00 0.00 C ATOM 1156 C LEU A 74 -14.987 -3.097 0.281 1.00 0.00 C ATOM 1157 O LEU A 74 -15.403 -1.941 0.191 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.309 -2.347 1.981 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.142 -2.696 2.905 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.847 -1.542 3.849 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.451 -3.963 3.687 1.00 0.00 C ATOM 0 H LEU A 74 -12.045 -2.623 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.701 -4.375 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.084 -1.407 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.196 -2.178 2.591 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.256 -2.873 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.014 -1.808 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.587 -0.656 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.728 -1.334 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.612 -4.201 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.348 -3.810 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.615 -4.788 2.993 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.649 -4.144 -0.180 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.963 -4.028 -0.787 1.00 0.00 C ATOM 1175 C ALA A 75 -17.650 -5.384 -0.783 1.00 0.00 C ATOM 1176 O ALA A 75 -17.082 -6.367 -0.305 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.848 -3.489 -2.206 1.00 0.00 C ATOM 0 H ALA A 75 -15.291 -5.098 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.563 -3.327 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.842 -3.408 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.380 -2.505 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -16.240 -4.167 -2.805 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.864 -5.434 -1.307 1.00 0.00 N ATOM 1184 CA GLY A 76 -19.576 -6.692 -1.402 1.00 0.00 C ATOM 1185 C GLY A 76 -19.165 -7.482 -2.629 1.00 0.00 C ATOM 1186 O GLY A 76 -18.115 -7.223 -3.219 1.00 0.00 O ATOM 0 H GLY A 76 -19.370 -4.626 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.386 -7.285 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.649 -6.501 -1.436 1.00 0.00 H new ATOM 1190 N ASP A 77 -19.989 -8.440 -3.022 1.00 0.00 N ATOM 1191 CA ASP A 77 -19.696 -9.252 -4.196 1.00 0.00 C ATOM 1192 C ASP A 77 -20.096 -8.506 -5.459 1.00 0.00 C ATOM 1193 O ASP A 77 -21.278 -8.441 -5.812 1.00 0.00 O ATOM 1194 CB ASP A 77 -20.414 -10.603 -4.117 1.00 0.00 C ATOM 1195 CG ASP A 77 -20.090 -11.510 -5.289 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -18.946 -12.011 -5.359 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -20.978 -11.742 -6.132 1.00 0.00 O ATOM 0 H ASP A 77 -20.862 -8.675 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 77 -18.623 -9.443 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -20.137 -11.103 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -21.490 -10.436 -4.080 1.00 0.00 H new ATOM 1202 N GLU A 78 -19.112 -7.901 -6.108 1.00 0.00 N ATOM 1203 CA GLU A 78 -19.357 -7.149 -7.325 1.00 0.00 C ATOM 1204 C GLU A 78 -19.737 -8.103 -8.450 1.00 0.00 C ATOM 1205 O GLU A 78 -18.906 -8.862 -8.947 1.00 0.00 O ATOM 1206 CB GLU A 78 -18.116 -6.332 -7.708 1.00 0.00 C ATOM 1207 CG GLU A 78 -18.419 -5.076 -8.521 1.00 0.00 C ATOM 1208 CD GLU A 78 -19.117 -5.358 -9.839 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -20.365 -5.385 -9.861 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -18.421 -5.547 -10.862 1.00 0.00 O ATOM 0 H GLU A 78 -18.137 -7.918 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 78 -20.181 -6.456 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.590 -6.044 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.439 -6.967 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -19.042 -4.409 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.486 -4.548 -8.719 1.00 0.00 H new ATOM 1217 N GLY A 79 -21.001 -8.073 -8.822 1.00 0.00 N ATOM 1218 CA GLY A 79 -21.484 -8.907 -9.895 1.00 0.00 C ATOM 1219 C GLY A 79 -22.789 -8.382 -10.439 1.00 0.00 C ATOM 1220 O GLY A 79 -23.652 -9.150 -10.859 1.00 0.00 O ATOM 0 H GLY A 79 -21.710 -7.478 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -20.742 -8.946 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.619 -9.927 -9.535 1.00 0.00 H new ATOM 1224 N HIS A 80 -22.932 -7.065 -10.426 1.00 0.00 N ATOM 1225 CA HIS A 80 -24.161 -6.416 -10.864 1.00 0.00 C ATOM 1226 C HIS A 80 -23.831 -5.204 -11.720 1.00 0.00 C ATOM 1227 O HIS A 80 -22.746 -4.637 -11.594 1.00 0.00 O ATOM 1228 CB HIS A 80 -25.002 -5.980 -9.659 1.00 0.00 C ATOM 1229 CG HIS A 80 -25.573 -7.114 -8.866 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -25.065 -7.461 -7.636 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -26.611 -7.930 -9.163 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -25.804 -8.475 -7.216 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -26.753 -8.795 -8.110 1.00 0.00 N ATOM 0 H HIS A 80 -22.206 -6.420 -10.114 1.00 0.00 H new ATOM 0 HA HIS A 80 -24.736 -7.131 -11.452 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -24.385 -5.367 -9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -25.819 -5.349 -10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -27.213 -7.904 -10.059 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -25.662 -8.981 -6.273 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -27.446 -9.538 -8.022 1.00 0.00 H new ATOM 1241 N PRO A 81 -24.739 -4.804 -12.623 1.00 0.00 N ATOM 1242 CA PRO A 81 -24.563 -3.592 -13.426 1.00 0.00 C ATOM 1243 C PRO A 81 -24.587 -2.338 -12.557 1.00 0.00 C ATOM 1244 O PRO A 81 -25.632 -1.702 -12.397 1.00 0.00 O ATOM 1245 CB PRO A 81 -25.753 -3.606 -14.395 1.00 0.00 C ATOM 1246 CG PRO A 81 -26.294 -4.995 -14.336 1.00 0.00 C ATOM 1247 CD PRO A 81 -25.987 -5.503 -12.956 1.00 0.00 C ATOM 0 HA PRO A 81 -23.602 -3.576 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.508 -2.877 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -25.439 -3.349 -15.407 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -27.368 -5.004 -14.525 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -25.832 -5.626 -15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -26.784 -5.266 -12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -25.861 -6.586 -12.942 1.00 0.00 H new ATOM 1255 N HIS A 82 -23.429 -2.021 -11.976 1.00 0.00 N ATOM 1256 CA HIS A 82 -23.280 -0.917 -11.032 1.00 0.00 C ATOM 1257 C HIS A 82 -24.227 -1.095 -9.841 1.00 0.00 C ATOM 1258 O HIS A 82 -25.344 -0.571 -9.825 1.00 0.00 O ATOM 1259 CB HIS A 82 -23.498 0.442 -11.712 1.00 0.00 C ATOM 1260 CG HIS A 82 -23.197 1.609 -10.816 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -21.907 1.927 -10.458 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -24.048 2.475 -10.215 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -22.003 2.968 -9.650 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -23.281 3.338 -9.473 1.00 0.00 N ATOM 0 H HIS A 82 -22.562 -2.529 -12.150 1.00 0.00 H new ATOM 0 HA HIS A 82 -22.255 -0.932 -10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.868 0.502 -12.599 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -24.532 0.510 -12.050 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -25.124 2.484 -10.303 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.159 3.460 -9.190 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.617 4.111 -8.898 1.00 0.00 H new ATOM 1272 N GLY A 83 -23.778 -1.857 -8.851 1.00 0.00 N ATOM 1273 CA GLY A 83 -24.604 -2.142 -7.688 1.00 0.00 C ATOM 1274 C GLY A 83 -24.377 -1.161 -6.554 1.00 0.00 C ATOM 1275 O GLY A 83 -24.657 -1.464 -5.392 1.00 0.00 O ATOM 0 H GLY A 83 -22.853 -2.285 -8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -25.654 -2.118 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -24.393 -3.152 -7.337 1.00 0.00 H new ATOM 1279 N TRP A 84 -23.873 0.017 -6.885 1.00 0.00 N ATOM 1280 CA TRP A 84 -23.621 1.047 -5.891 1.00 0.00 C ATOM 1281 C TRP A 84 -24.556 2.228 -6.086 1.00 0.00 C ATOM 1282 O TRP A 84 -25.004 2.493 -7.201 1.00 0.00 O ATOM 1283 CB TRP A 84 -22.160 1.507 -5.942 1.00 0.00 C ATOM 1284 CG TRP A 84 -21.264 0.702 -5.053 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -21.060 -0.643 -5.105 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -20.458 1.192 -3.975 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -20.177 -1.023 -4.124 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -19.795 0.085 -3.417 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -20.239 2.459 -3.423 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -18.917 0.206 -2.342 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -19.369 2.578 -2.356 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -18.721 1.456 -1.822 1.00 0.00 C ATOM 0 H TRP A 84 -23.630 0.284 -7.839 1.00 0.00 H new ATOM 0 HA TRP A 84 -23.812 0.618 -4.907 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -21.799 1.441 -6.968 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -22.104 2.556 -5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -21.524 -1.313 -5.814 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -19.858 -1.976 -3.951 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -20.741 3.328 -3.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -18.410 -0.656 -1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -19.185 3.552 -1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -18.053 1.581 -0.983 1.00 0.00 H new ATOM 1303 N PRO A 85 -24.876 2.932 -4.989 1.00 0.00 N ATOM 1304 CA PRO A 85 -25.756 4.105 -5.021 1.00 0.00 C ATOM 1305 C PRO A 85 -25.243 5.185 -5.968 1.00 0.00 C ATOM 1306 O PRO A 85 -24.133 5.699 -5.798 1.00 0.00 O ATOM 1307 CB PRO A 85 -25.742 4.611 -3.574 1.00 0.00 C ATOM 1308 CG PRO A 85 -25.335 3.435 -2.759 1.00 0.00 C ATOM 1309 CD PRO A 85 -24.411 2.629 -3.625 1.00 0.00 C ATOM 0 HA PRO A 85 -26.752 3.854 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -25.042 5.437 -3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -26.724 4.978 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.835 3.750 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -26.203 2.847 -2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -23.370 2.918 -3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -24.479 1.564 -3.404 1.00 0.00 H new ATOM 1317 N GLY A 86 -26.053 5.517 -6.960 1.00 0.00 N ATOM 1318 CA GLY A 86 -25.667 6.502 -7.943 1.00 0.00 C ATOM 1319 C GLY A 86 -25.578 5.912 -9.333 1.00 0.00 C ATOM 1320 O GLY A 86 -26.336 5.005 -9.680 1.00 0.00 O ATOM 0 H GLY A 86 -26.980 5.116 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -26.390 7.318 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -24.703 6.929 -7.668 1.00 0.00 H new ATOM 1324 N PHE A 87 -24.651 6.422 -10.129 1.00 0.00 N ATOM 1325 CA PHE A 87 -24.462 5.941 -11.488 1.00 0.00 C ATOM 1326 C PHE A 87 -23.071 6.308 -11.995 1.00 0.00 C ATOM 1327 O PHE A 87 -22.753 7.483 -12.169 1.00 0.00 O ATOM 1328 CB PHE A 87 -25.552 6.493 -12.429 1.00 0.00 C ATOM 1329 CG PHE A 87 -25.675 7.996 -12.450 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -26.349 8.665 -11.440 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -25.127 8.737 -13.487 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -26.473 10.040 -11.462 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -25.246 10.114 -13.514 1.00 0.00 C ATOM 1334 CZ PHE A 87 -25.920 10.766 -12.501 1.00 0.00 C ATOM 0 H PHE A 87 -24.016 7.172 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 87 -24.550 4.855 -11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -25.346 6.146 -13.442 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -26.512 6.069 -12.136 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -26.783 8.104 -10.626 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -24.601 8.232 -14.283 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -27.001 10.548 -10.669 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -24.812 10.679 -14.326 1.00 0.00 H new ATOM 0 HZ PHE A 87 -26.015 11.842 -12.520 1.00 0.00 H new ATOM 1344 N ARG A 88 -22.235 5.301 -12.207 1.00 0.00 N ATOM 1345 CA ARG A 88 -20.893 5.533 -12.718 1.00 0.00 C ATOM 1346 C ARG A 88 -20.605 4.653 -13.926 1.00 0.00 C ATOM 1347 O ARG A 88 -20.326 3.459 -13.798 1.00 0.00 O ATOM 1348 CB ARG A 88 -19.830 5.314 -11.634 1.00 0.00 C ATOM 1349 CG ARG A 88 -19.179 6.606 -11.162 1.00 0.00 C ATOM 1350 CD ARG A 88 -20.183 7.511 -10.465 1.00 0.00 C ATOM 1351 NE ARG A 88 -19.710 8.889 -10.361 1.00 0.00 N ATOM 1352 CZ ARG A 88 -20.245 9.795 -9.545 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -21.218 9.450 -8.710 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -19.804 11.044 -9.563 1.00 0.00 N ATOM 0 H ARG A 88 -22.461 4.322 -12.034 1.00 0.00 H new ATOM 0 HA ARG A 88 -20.845 6.576 -13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -20.288 4.813 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -19.059 4.646 -12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -18.361 6.375 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -18.746 7.129 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -21.126 7.493 -11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -20.387 7.123 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.925 9.174 -10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -21.558 8.488 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -21.626 10.147 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.055 11.311 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.213 11.738 -8.938 1.00 0.00 H new ATOM 1368 N ARG A 89 -20.693 5.258 -15.097 1.00 0.00 N ATOM 1369 CA ARG A 89 -20.360 4.601 -16.345 1.00 0.00 C ATOM 1370 C ARG A 89 -19.591 5.601 -17.203 1.00 0.00 C ATOM 1371 O ARG A 89 -20.157 6.286 -18.056 1.00 0.00 O ATOM 1372 CB ARG A 89 -21.635 4.105 -17.046 1.00 0.00 C ATOM 1373 CG ARG A 89 -21.406 2.994 -18.066 1.00 0.00 C ATOM 1374 CD ARG A 89 -20.855 3.519 -19.385 1.00 0.00 C ATOM 1375 NE ARG A 89 -21.784 4.436 -20.042 1.00 0.00 N ATOM 1376 CZ ARG A 89 -21.798 4.671 -21.352 1.00 0.00 C ATOM 1377 NH1 ARG A 89 -20.940 4.058 -22.155 1.00 0.00 N ATOM 1378 NH2 ARG A 89 -22.680 5.521 -21.859 1.00 0.00 N ATOM 0 H ARG A 89 -20.999 6.225 -15.208 1.00 0.00 H new ATOM 0 HA ARG A 89 -19.739 3.722 -16.169 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -22.334 3.748 -16.290 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -22.110 4.948 -17.547 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -20.713 2.262 -17.652 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -22.346 2.474 -18.250 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.909 4.029 -19.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -20.644 2.681 -20.049 1.00 0.00 H new ATOM 0 HE ARG A 89 -22.464 4.926 -19.461 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -20.262 3.400 -21.770 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -20.958 4.244 -23.158 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -23.345 5.992 -21.246 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -22.694 5.704 -22.862 1.00 0.00 H new ATOM 1392 N ARG A 90 -18.301 5.712 -16.927 1.00 0.00 N ATOM 1393 CA ARG A 90 -17.485 6.775 -17.498 1.00 0.00 C ATOM 1394 C ARG A 90 -16.518 6.231 -18.543 1.00 0.00 C ATOM 1395 O ARG A 90 -15.651 6.952 -19.041 1.00 0.00 O ATOM 1396 CB ARG A 90 -16.715 7.480 -16.376 1.00 0.00 C ATOM 1397 CG ARG A 90 -16.235 8.877 -16.731 1.00 0.00 C ATOM 1398 CD ARG A 90 -17.403 9.810 -17.003 1.00 0.00 C ATOM 1399 NE ARG A 90 -16.986 11.209 -17.098 1.00 0.00 N ATOM 1400 CZ ARG A 90 -17.726 12.169 -17.649 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -18.900 11.879 -18.199 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -17.294 13.422 -17.651 1.00 0.00 N ATOM 0 H ARG A 90 -17.794 5.078 -16.309 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.141 7.488 -17.997 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -17.354 7.541 -15.495 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.853 6.870 -16.104 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.632 9.275 -15.915 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.592 8.830 -17.610 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.892 9.515 -17.931 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.141 9.706 -16.207 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.074 11.464 -16.720 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.239 10.917 -18.201 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.463 12.618 -18.620 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.394 13.652 -17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.862 14.157 -18.073 1.00 0.00 H new ATOM 1416 N HIS A 91 -16.675 4.961 -18.888 1.00 0.00 N ATOM 1417 CA HIS A 91 -15.803 4.328 -19.869 1.00 0.00 C ATOM 1418 C HIS A 91 -16.189 4.745 -21.285 1.00 0.00 C ATOM 1419 O HIS A 91 -16.764 3.963 -22.040 1.00 0.00 O ATOM 1420 CB HIS A 91 -15.840 2.803 -19.738 1.00 0.00 C ATOM 1421 CG HIS A 91 -15.126 2.280 -18.527 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -13.936 1.595 -18.636 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -15.476 2.352 -17.218 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -13.594 1.267 -17.401 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -14.498 1.705 -16.512 1.00 0.00 N ATOM 0 H HIS A 91 -17.396 4.349 -18.505 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.785 4.663 -19.672 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -16.879 2.476 -19.704 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -15.395 2.361 -20.629 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -16.356 2.828 -16.812 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.701 0.717 -17.142 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.463 1.580 -15.500 1.00 0.00 H new ATOM 1433 N ARG A 92 -15.898 5.996 -21.614 1.00 0.00 N ATOM 1434 CA ARG A 92 -16.160 6.536 -22.938 1.00 0.00 C ATOM 1435 C ARG A 92 -15.418 7.851 -23.124 1.00 0.00 C ATOM 1436 O ARG A 92 -15.823 8.888 -22.591 1.00 0.00 O ATOM 1437 CB ARG A 92 -17.661 6.749 -23.156 1.00 0.00 C ATOM 1438 CG ARG A 92 -17.992 7.362 -24.506 1.00 0.00 C ATOM 1439 CD ARG A 92 -19.490 7.410 -24.741 1.00 0.00 C ATOM 1440 NE ARG A 92 -19.827 8.008 -26.029 1.00 0.00 N ATOM 1441 CZ ARG A 92 -20.669 7.463 -26.905 1.00 0.00 C ATOM 1442 NH1 ARG A 92 -21.218 6.274 -26.659 1.00 0.00 N ATOM 1443 NH2 ARG A 92 -20.949 8.105 -28.031 1.00 0.00 N ATOM 0 H ARG A 92 -15.474 6.664 -20.970 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.804 5.816 -23.675 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -18.174 5.792 -23.064 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -18.047 7.394 -22.367 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -17.581 8.370 -24.560 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.517 6.782 -25.297 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -19.896 6.400 -24.694 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.963 7.981 -23.942 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.391 8.897 -26.273 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -20.994 5.777 -25.797 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.862 5.861 -27.333 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.520 9.011 -28.222 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.593 7.693 -28.706 1.00 0.00 H new ATOM 1457 N PHE A 93 -14.325 7.799 -23.864 1.00 0.00 N ATOM 1458 CA PHE A 93 -13.538 8.984 -24.153 1.00 0.00 C ATOM 1459 C PHE A 93 -13.936 9.546 -25.510 1.00 0.00 C ATOM 1460 O PHE A 93 -14.158 10.749 -25.658 1.00 0.00 O ATOM 1461 CB PHE A 93 -12.044 8.650 -24.124 1.00 0.00 C ATOM 1462 CG PHE A 93 -11.568 8.164 -22.782 1.00 0.00 C ATOM 1463 CD1 PHE A 93 -11.126 9.063 -21.825 1.00 0.00 C ATOM 1464 CD2 PHE A 93 -11.565 6.811 -22.478 1.00 0.00 C ATOM 1465 CE1 PHE A 93 -10.691 8.623 -20.588 1.00 0.00 C ATOM 1466 CE2 PHE A 93 -11.132 6.364 -21.243 1.00 0.00 C ATOM 1467 CZ PHE A 93 -10.694 7.270 -20.296 1.00 0.00 C ATOM 0 H PHE A 93 -13.960 6.941 -24.279 1.00 0.00 H new ATOM 0 HA PHE A 93 -13.733 9.737 -23.390 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.835 7.887 -24.874 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -11.475 9.537 -24.404 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -11.121 10.120 -22.048 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.905 6.098 -23.214 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.349 9.334 -19.851 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -11.136 5.308 -21.019 1.00 0.00 H new ATOM 0 HZ PHE A 93 -10.355 6.923 -19.331 1.00 0.00 H new ATOM 1477 N GLY A 94 -14.053 8.660 -26.489 1.00 0.00 N ATOM 1478 CA GLY A 94 -14.463 9.070 -27.814 1.00 0.00 C ATOM 1479 C GLY A 94 -13.429 8.731 -28.866 1.00 0.00 C ATOM 1480 O GLY A 94 -12.229 8.878 -28.636 1.00 0.00 O ATOM 0 H GLY A 94 -13.870 7.662 -26.387 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.407 8.586 -28.066 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.645 10.145 -27.819 1.00 0.00 H new ATOM 1484 N LYS A 95 -13.893 8.268 -30.017 1.00 0.00 N ATOM 1485 CA LYS A 95 -13.010 7.944 -31.125 1.00 0.00 C ATOM 1486 C LYS A 95 -13.696 8.276 -32.445 1.00 0.00 C ATOM 1487 O LYS A 95 -14.647 7.604 -32.849 1.00 0.00 O ATOM 1488 CB LYS A 95 -12.614 6.465 -31.073 1.00 0.00 C ATOM 1489 CG LYS A 95 -11.593 6.069 -32.125 1.00 0.00 C ATOM 1490 CD LYS A 95 -11.048 4.675 -31.867 1.00 0.00 C ATOM 1491 CE LYS A 95 -9.950 4.315 -32.851 1.00 0.00 C ATOM 1492 NZ LYS A 95 -9.244 3.072 -32.450 1.00 0.00 N ATOM 0 H LYS A 95 -14.882 8.108 -30.208 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.101 8.541 -31.046 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -12.211 6.240 -30.086 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.508 5.854 -31.199 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.053 6.105 -33.113 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.773 6.788 -32.128 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.660 4.618 -30.850 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.857 3.948 -31.941 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.379 4.186 -33.845 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.235 5.135 -32.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.501 2.856 -33.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.814 3.204 -31.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.922 2.284 -32.412 1.00 0.00 H new ATOM 1506 N ARG A 96 -13.217 9.321 -33.102 1.00 0.00 N ATOM 1507 CA ARG A 96 -13.862 9.835 -34.301 1.00 0.00 C ATOM 1508 C ARG A 96 -13.470 9.052 -35.545 1.00 0.00 C ATOM 1509 O ARG A 96 -12.287 8.893 -35.855 1.00 0.00 O ATOM 1510 CB ARG A 96 -13.526 11.312 -34.502 1.00 0.00 C ATOM 1511 CG ARG A 96 -14.284 12.236 -33.570 1.00 0.00 C ATOM 1512 CD ARG A 96 -14.057 13.692 -33.936 1.00 0.00 C ATOM 1513 NE ARG A 96 -15.071 14.564 -33.353 1.00 0.00 N ATOM 1514 CZ ARG A 96 -15.404 15.757 -33.844 1.00 0.00 C ATOM 1515 NH1 ARG A 96 -14.760 16.253 -34.894 1.00 0.00 N ATOM 1516 NH2 ARG A 96 -16.376 16.452 -33.278 1.00 0.00 N ATOM 0 H ARG A 96 -12.379 9.832 -32.823 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.936 9.720 -34.155 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.456 11.457 -34.353 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.745 11.589 -35.533 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -15.349 12.009 -33.615 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.964 12.062 -32.542 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.070 14.003 -33.593 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.066 13.799 -35.021 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.556 14.240 -32.516 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.007 15.720 -35.329 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.019 17.167 -35.266 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.868 16.074 -32.468 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.634 17.366 -33.651 1.00 0.00 H new ATOM 1530 N ALA A 97 -14.476 8.562 -36.248 1.00 0.00 N ATOM 1531 CA ALA A 97 -14.277 7.954 -37.550 1.00 0.00 C ATOM 1532 C ALA A 97 -14.635 8.969 -38.623 1.00 0.00 C ATOM 1533 O ALA A 97 -15.763 9.464 -38.666 1.00 0.00 O ATOM 1534 CB ALA A 97 -15.128 6.702 -37.694 1.00 0.00 C ATOM 0 H ALA A 97 -15.447 8.574 -35.935 1.00 0.00 H new ATOM 0 HA ALA A 97 -13.233 7.659 -37.658 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.964 6.262 -38.677 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -14.850 5.983 -36.923 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -16.181 6.963 -37.584 1.00 0.00 H new ATOM 1540 N LEU A 98 -13.671 9.306 -39.462 1.00 0.00 N ATOM 1541 CA LEU A 98 -13.883 10.296 -40.505 1.00 0.00 C ATOM 1542 C LEU A 98 -13.224 9.873 -41.816 1.00 0.00 C ATOM 1543 O LEU A 98 -12.032 10.096 -42.037 1.00 0.00 O ATOM 1544 CB LEU A 98 -13.397 11.686 -40.051 1.00 0.00 C ATOM 1545 CG LEU A 98 -12.298 11.711 -38.975 1.00 0.00 C ATOM 1546 CD1 LEU A 98 -10.935 11.390 -39.562 1.00 0.00 C ATOM 1547 CD2 LEU A 98 -12.268 13.065 -38.282 1.00 0.00 C ATOM 0 H LEU A 98 -12.732 8.908 -39.442 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.955 10.363 -40.690 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.030 12.222 -40.926 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -14.256 12.242 -39.674 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.534 10.940 -38.241 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.184 11.417 -38.773 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.956 10.396 -40.009 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.685 12.126 -40.326 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.486 13.068 -37.523 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.065 13.845 -39.016 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.232 13.253 -37.810 1.00 0.00 H new ATOM 1559 N GLU A 99 -14.006 9.235 -42.670 1.00 0.00 N ATOM 1560 CA GLU A 99 -13.523 8.796 -43.967 1.00 0.00 C ATOM 1561 C GLU A 99 -14.583 9.027 -45.044 1.00 0.00 C ATOM 1562 O GLU A 99 -15.326 8.121 -45.428 1.00 0.00 O ATOM 1563 CB GLU A 99 -13.066 7.322 -43.926 1.00 0.00 C ATOM 1564 CG GLU A 99 -14.145 6.299 -43.564 1.00 0.00 C ATOM 1565 CD GLU A 99 -14.711 6.477 -42.170 1.00 0.00 C ATOM 1566 OE1 GLU A 99 -14.072 6.013 -41.202 1.00 0.00 O ATOM 1567 OE2 GLU A 99 -15.803 7.069 -42.046 1.00 0.00 O ATOM 0 H GLU A 99 -14.984 9.009 -42.486 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.650 9.396 -44.224 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.658 7.061 -44.902 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.252 7.234 -43.206 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.957 6.369 -44.288 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.726 5.296 -43.651 1.00 0.00 H new ATOM 1574 N HIS A 100 -14.673 10.265 -45.501 1.00 0.00 N ATOM 1575 CA HIS A 100 -15.613 10.622 -46.551 1.00 0.00 C ATOM 1576 C HIS A 100 -15.126 10.084 -47.892 1.00 0.00 C ATOM 1577 O HIS A 100 -15.739 9.174 -48.450 1.00 0.00 O ATOM 1578 CB HIS A 100 -15.799 12.146 -46.602 1.00 0.00 C ATOM 1579 CG HIS A 100 -16.617 12.629 -47.762 1.00 0.00 C ATOM 1580 ND1 HIS A 100 -16.175 13.649 -48.567 1.00 0.00 N ATOM 1581 CD2 HIS A 100 -17.827 12.210 -48.204 1.00 0.00 C ATOM 1582 CE1 HIS A 100 -17.116 13.826 -49.477 1.00 0.00 C ATOM 1583 NE2 HIS A 100 -18.135 12.978 -49.297 1.00 0.00 N ATOM 0 H HIS A 100 -14.105 11.041 -45.161 1.00 0.00 H new ATOM 0 HA HIS A 100 -16.581 10.171 -46.333 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -16.273 12.474 -45.677 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.818 12.619 -46.642 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -18.432 11.423 -47.778 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -17.069 14.562 -50.266 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -18.980 12.915 -49.865 1.00 0.00 H new ATOM 1591 N HIS A 101 -14.021 10.649 -48.382 1.00 0.00 N ATOM 1592 CA HIS A 101 -13.408 10.235 -49.643 1.00 0.00 C ATOM 1593 C HIS A 101 -14.343 10.493 -50.824 1.00 0.00 C ATOM 1594 O HIS A 101 -15.327 9.776 -51.032 1.00 0.00 O ATOM 1595 CB HIS A 101 -12.997 8.755 -49.598 1.00 0.00 C ATOM 1596 CG HIS A 101 -12.276 8.294 -50.828 1.00 0.00 C ATOM 1597 ND1 HIS A 101 -12.867 7.447 -51.736 1.00 0.00 N ATOM 1598 CD2 HIS A 101 -11.025 8.590 -51.250 1.00 0.00 C ATOM 1599 CE1 HIS A 101 -11.966 7.250 -52.685 1.00 0.00 C ATOM 1600 NE2 HIS A 101 -10.837 7.921 -52.431 1.00 0.00 N ATOM 0 H HIS A 101 -13.526 11.408 -47.914 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.510 10.836 -49.783 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.359 8.590 -48.730 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.888 8.143 -49.459 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.312 9.230 -50.752 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.122 6.627 -53.553 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.995 7.932 -53.007 1.00 0.00 H new ATOM 1608 N HIS A 102 -14.039 11.522 -51.591 1.00 0.00 N ATOM 1609 CA HIS A 102 -14.830 11.841 -52.768 1.00 0.00 C ATOM 1610 C HIS A 102 -13.971 11.726 -54.018 1.00 0.00 C ATOM 1611 O HIS A 102 -12.749 11.882 -53.963 1.00 0.00 O ATOM 1612 CB HIS A 102 -15.439 13.248 -52.666 1.00 0.00 C ATOM 1613 CG HIS A 102 -14.436 14.362 -52.732 1.00 0.00 C ATOM 1614 ND1 HIS A 102 -14.300 15.133 -53.858 1.00 0.00 N ATOM 1615 CD2 HIS A 102 -13.550 14.780 -51.799 1.00 0.00 C ATOM 1616 CE1 HIS A 102 -13.338 15.998 -53.588 1.00 0.00 C ATOM 1617 NE2 HIS A 102 -12.851 15.823 -52.351 1.00 0.00 N ATOM 0 H HIS A 102 -13.253 12.150 -51.423 1.00 0.00 H new ATOM 0 HA HIS A 102 -15.651 11.126 -52.831 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -16.162 13.377 -53.472 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -15.989 13.326 -51.728 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -13.418 14.370 -50.808 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.988 16.752 -54.278 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -12.106 16.360 -51.907 1.00 0.00 H new ATOM 1625 N HIS A 103 -14.613 11.437 -55.131 1.00 0.00 N ATOM 1626 CA HIS A 103 -13.940 11.358 -56.415 1.00 0.00 C ATOM 1627 C HIS A 103 -14.792 12.052 -57.466 1.00 0.00 C ATOM 1628 O HIS A 103 -15.936 12.413 -57.196 1.00 0.00 O ATOM 1629 CB HIS A 103 -13.680 9.892 -56.805 1.00 0.00 C ATOM 1630 CG HIS A 103 -14.913 9.035 -56.856 1.00 0.00 C ATOM 1631 ND1 HIS A 103 -15.214 8.148 -55.847 1.00 0.00 N ATOM 1632 CD2 HIS A 103 -15.876 8.964 -57.807 1.00 0.00 C ATOM 1633 CE1 HIS A 103 -16.345 7.566 -56.206 1.00 0.00 C ATOM 1634 NE2 HIS A 103 -16.782 8.027 -57.383 1.00 0.00 N ATOM 0 H HIS A 103 -15.615 11.250 -55.173 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.973 11.857 -56.347 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.196 9.869 -57.781 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.980 9.458 -56.091 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.921 9.535 -58.722 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.853 6.813 -55.622 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -17.629 7.736 -57.872 1.00 0.00 H new ATOM 1642 N HIS A 104 -14.245 12.256 -58.648 1.00 0.00 N ATOM 1643 CA HIS A 104 -15.005 12.864 -59.728 1.00 0.00 C ATOM 1644 C HIS A 104 -14.676 12.187 -61.045 1.00 0.00 C ATOM 1645 O HIS A 104 -13.643 11.526 -61.173 1.00 0.00 O ATOM 1646 CB HIS A 104 -14.757 14.382 -59.802 1.00 0.00 C ATOM 1647 CG HIS A 104 -13.328 14.782 -60.028 1.00 0.00 C ATOM 1648 ND1 HIS A 104 -12.933 15.390 -61.192 1.00 0.00 N ATOM 1649 CD2 HIS A 104 -12.264 14.678 -59.198 1.00 0.00 C ATOM 1650 CE1 HIS A 104 -11.645 15.646 -61.046 1.00 0.00 C ATOM 1651 NE2 HIS A 104 -11.195 15.233 -59.853 1.00 0.00 N ATOM 0 H HIS A 104 -13.284 12.012 -58.887 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.066 12.721 -59.524 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -15.366 14.795 -60.606 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -15.103 14.837 -58.874 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -12.258 14.242 -58.210 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -11.032 16.127 -61.794 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -10.241 15.316 -59.500 1.00 0.00 H new ATOM 1659 N HIS A 105 -15.563 12.332 -62.010 1.00 0.00 N ATOM 1660 CA HIS A 105 -15.404 11.669 -63.286 1.00 0.00 C ATOM 1661 C HIS A 105 -15.800 12.615 -64.407 1.00 0.00 C ATOM 1662 O HIS A 105 -17.002 12.702 -64.714 1.00 0.00 O ATOM 1663 CB HIS A 105 -16.260 10.401 -63.328 1.00 0.00 C ATOM 1664 CG HIS A 105 -15.895 9.464 -64.434 1.00 0.00 C ATOM 1665 ND1 HIS A 105 -14.969 8.468 -64.244 1.00 0.00 N ATOM 1666 CD2 HIS A 105 -16.351 9.411 -65.708 1.00 0.00 C ATOM 1667 CE1 HIS A 105 -14.881 7.834 -65.399 1.00 0.00 C ATOM 1668 NE2 HIS A 105 -15.699 8.370 -66.314 1.00 0.00 N ATOM 1669 OXT HIS A 105 -14.906 13.294 -64.956 1.00 0.00 O ATOM 0 H HIS A 105 -16.403 12.905 -61.933 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.360 11.386 -63.417 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -16.166 9.879 -62.376 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -17.307 10.684 -63.435 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -17.085 10.062 -66.158 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -14.232 6.991 -65.582 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -15.815 8.061 -67.279 1.00 0.00 H new TER 1677 HIS A 105