USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 161:sc= 0.00439 (180deg=-0.194) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0112) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.2) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0495 K(o=-0.049,f=-1.2) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -0.737 (180deg=-2.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.573! C(o=-0.57!,f=-5.9!) USER MOD Single : A 31 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0515 X(o=-0.052,f=-0.19) USER MOD Single : A 43 THR OG1 : rot -59:sc= 0.251 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.3! C(o=-1.3!,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.16) USER MOD Single : A 58 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.68) USER MOD Single : A 66 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-2.9!) USER MOD Single : A 67 GLN :FLIP amide:sc= -1.27! F(o=-1.9,f=-1.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc=-0.00435 (180deg=-0.307) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0379 K(o=-0.038,f=-1.6!) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0496) USER MOD Single : A 79 ASN : amide:sc=-0.00547 X(o=-0.0055,f=-0.013) USER MOD Single : A 81 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.23) USER MOD Single : A 83 ASN : amide:sc= -0.0597 K(o=-0.06,f=-1.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 92 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 109.412 14.891 15.950 1.00 0.00 N ATOM 2 CA ARG A 1 108.213 14.422 16.625 1.00 0.00 C ATOM 3 C ARG A 1 106.966 14.995 15.949 1.00 0.00 C ATOM 4 O ARG A 1 107.056 15.949 15.178 1.00 0.00 O ATOM 5 CB ARG A 1 108.217 14.828 18.100 1.00 0.00 C ATOM 6 CG ARG A 1 107.969 16.329 18.257 1.00 0.00 C ATOM 7 CD ARG A 1 108.689 16.878 19.490 1.00 0.00 C ATOM 8 NE ARG A 1 109.408 18.125 19.143 1.00 0.00 N ATOM 9 CZ ARG A 1 110.484 18.177 18.331 1.00 0.00 C ATOM 10 NH1 ARG A 1 110.977 17.051 17.773 1.00 0.00 N ATOM 11 NH2 ARG A 1 111.048 19.346 18.090 1.00 0.00 N ATOM 0 H1 ARG A 1 110.232 14.775 16.579 1.00 0.00 H new ATOM 0 H2 ARG A 1 109.561 14.338 15.082 1.00 0.00 H new ATOM 0 H3 ARG A 1 109.302 15.896 15.706 1.00 0.00 H new ATOM 0 HA ARG A 1 108.199 13.334 16.560 1.00 0.00 H new ATOM 0 HB2 ARG A 1 107.449 14.271 18.636 1.00 0.00 H new ATOM 0 HB3 ARG A 1 109.174 14.565 18.550 1.00 0.00 H new ATOM 0 HG2 ARG A 1 108.315 16.853 17.366 1.00 0.00 H new ATOM 0 HG3 ARG A 1 106.899 16.517 18.343 1.00 0.00 H new ATOM 0 HD2 ARG A 1 107.969 17.073 20.285 1.00 0.00 H new ATOM 0 HD3 ARG A 1 109.392 16.137 19.871 1.00 0.00 H new ATOM 0 HE ARG A 1 109.068 19.000 19.543 1.00 0.00 H new ATOM 0 HH11 ARG A 1 110.536 16.152 17.964 1.00 0.00 H new ATOM 0 HH12 ARG A 1 111.791 17.100 17.160 1.00 0.00 H new ATOM 0 HH21 ARG A 1 110.670 20.192 18.515 1.00 0.00 H new ATOM 0 HH22 ARG A 1 111.862 19.403 17.478 1.00 0.00 H new ATOM 24 N LYS A 2 105.830 14.389 16.262 1.00 0.00 N ATOM 25 CA LYS A 2 104.567 14.827 15.695 1.00 0.00 C ATOM 26 C LYS A 2 103.418 14.332 16.576 1.00 0.00 C ATOM 27 O LYS A 2 103.618 13.486 17.446 1.00 0.00 O ATOM 28 CB LYS A 2 104.454 14.387 14.234 1.00 0.00 C ATOM 29 CG LYS A 2 103.490 15.290 13.462 1.00 0.00 C ATOM 30 CD LYS A 2 104.128 15.790 12.164 1.00 0.00 C ATOM 31 CE LYS A 2 103.570 17.159 11.770 1.00 0.00 C ATOM 32 NZ LYS A 2 104.198 18.227 12.579 1.00 0.00 N ATOM 0 H LYS A 2 105.759 13.598 16.902 1.00 0.00 H new ATOM 0 HA LYS A 2 104.513 15.916 15.681 1.00 0.00 H new ATOM 0 HB2 LYS A 2 105.438 14.414 13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 2 104.107 13.355 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 2 102.576 14.742 13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 2 103.206 16.140 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 2 105.209 15.856 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 2 103.942 15.074 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 2 103.753 17.342 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 2 102.490 17.173 11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 103.553 19.040 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 104.396 17.868 13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 105.088 18.525 12.130 1.00 0.00 H new ATOM 45 N LEU A 3 102.240 14.882 16.321 1.00 0.00 N ATOM 46 CA LEU A 3 101.059 14.507 17.080 1.00 0.00 C ATOM 47 C LEU A 3 99.830 15.189 16.475 1.00 0.00 C ATOM 48 O LEU A 3 99.841 16.395 16.234 1.00 0.00 O ATOM 49 CB LEU A 3 101.259 14.809 18.567 1.00 0.00 C ATOM 50 CG LEU A 3 100.339 14.062 19.534 1.00 0.00 C ATOM 51 CD1 LEU A 3 98.887 14.515 19.369 1.00 0.00 C ATOM 52 CD2 LEU A 3 100.488 12.547 19.373 1.00 0.00 C ATOM 0 H LEU A 3 102.078 15.584 15.599 1.00 0.00 H new ATOM 0 HA LEU A 3 100.892 13.432 17.016 1.00 0.00 H new ATOM 0 HB2 LEU A 3 102.292 14.578 18.828 1.00 0.00 H new ATOM 0 HB3 LEU A 3 101.123 15.879 18.721 1.00 0.00 H new ATOM 0 HG LEU A 3 100.640 14.309 20.552 1.00 0.00 H new ATOM 0 HD11 LEU A 3 98.254 13.969 20.068 1.00 0.00 H new ATOM 0 HD12 LEU A 3 98.814 15.583 19.572 1.00 0.00 H new ATOM 0 HD13 LEU A 3 98.557 14.316 18.349 1.00 0.00 H new ATOM 0 HD21 LEU A 3 99.823 12.040 20.072 1.00 0.00 H new ATOM 0 HD22 LEU A 3 100.228 12.262 18.353 1.00 0.00 H new ATOM 0 HD23 LEU A 3 101.519 12.259 19.579 1.00 0.00 H new ATOM 64 N GLU A 4 98.801 14.387 16.245 1.00 0.00 N ATOM 65 CA GLU A 4 97.567 14.898 15.672 1.00 0.00 C ATOM 66 C GLU A 4 96.450 13.862 15.808 1.00 0.00 C ATOM 67 O GLU A 4 96.714 12.689 16.066 1.00 0.00 O ATOM 68 CB GLU A 4 97.768 15.300 14.210 1.00 0.00 C ATOM 69 CG GLU A 4 98.097 14.081 13.346 1.00 0.00 C ATOM 70 CD GLU A 4 98.064 14.438 11.858 1.00 0.00 C ATOM 71 OE1 GLU A 4 97.350 15.370 11.460 1.00 0.00 O ATOM 72 OE2 GLU A 4 98.815 13.707 11.106 1.00 0.00 O ATOM 0 H GLU A 4 98.796 13.387 16.445 1.00 0.00 H new ATOM 0 HA GLU A 4 97.275 15.792 16.223 1.00 0.00 H new ATOM 0 HB2 GLU A 4 96.866 15.783 13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.574 16.030 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.083 13.699 13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 97.382 13.284 13.548 1.00 0.00 H new ATOM 80 N LEU A 5 95.225 14.333 15.628 1.00 0.00 N ATOM 81 CA LEU A 5 94.066 13.462 15.727 1.00 0.00 C ATOM 82 C LEU A 5 92.916 14.055 14.909 1.00 0.00 C ATOM 83 O LEU A 5 93.049 15.136 14.339 1.00 0.00 O ATOM 84 CB LEU A 5 93.710 13.208 17.194 1.00 0.00 C ATOM 85 CG LEU A 5 92.908 14.310 17.890 1.00 0.00 C ATOM 86 CD1 LEU A 5 91.712 13.724 18.642 1.00 0.00 C ATOM 87 CD2 LEU A 5 93.805 15.148 18.802 1.00 0.00 C ATOM 0 H LEU A 5 95.010 15.307 15.414 1.00 0.00 H new ATOM 0 HA LEU A 5 94.288 12.483 15.303 1.00 0.00 H new ATOM 0 HB2 LEU A 5 93.142 12.280 17.254 1.00 0.00 H new ATOM 0 HB3 LEU A 5 94.635 13.053 17.750 1.00 0.00 H new ATOM 0 HG LEU A 5 92.512 14.979 17.127 1.00 0.00 H new ATOM 0 HD11 LEU A 5 91.159 14.528 19.128 1.00 0.00 H new ATOM 0 HD12 LEU A 5 91.059 13.206 17.940 1.00 0.00 H new ATOM 0 HD13 LEU A 5 92.065 13.020 19.395 1.00 0.00 H new ATOM 0 HD21 LEU A 5 93.210 15.924 19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 5 94.251 14.507 19.563 1.00 0.00 H new ATOM 0 HD23 LEU A 5 94.594 15.611 18.210 1.00 0.00 H new ATOM 99 N THR A 6 91.814 13.320 14.879 1.00 0.00 N ATOM 100 CA THR A 6 90.642 13.759 14.140 1.00 0.00 C ATOM 101 C THR A 6 89.365 13.285 14.836 1.00 0.00 C ATOM 102 O THR A 6 89.273 12.133 15.255 1.00 0.00 O ATOM 103 CB THR A 6 90.773 13.255 12.702 1.00 0.00 C ATOM 104 OG1 THR A 6 89.508 13.547 12.115 1.00 0.00 O ATOM 105 CG2 THR A 6 90.877 11.730 12.623 1.00 0.00 C ATOM 0 H THR A 6 91.708 12.424 15.354 1.00 0.00 H new ATOM 0 HA THR A 6 90.576 14.847 14.113 1.00 0.00 H new ATOM 0 HB THR A 6 91.652 13.703 12.239 1.00 0.00 H new ATOM 0 HG1 THR A 6 89.506 13.254 11.180 1.00 0.00 H new ATOM 0 HG21 THR A 6 90.968 11.425 11.580 1.00 0.00 H new ATOM 0 HG22 THR A 6 91.754 11.396 13.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 89.983 11.281 13.055 1.00 0.00 H new ATOM 113 N LYS A 7 88.411 14.199 14.938 1.00 0.00 N ATOM 114 CA LYS A 7 87.143 13.889 15.576 1.00 0.00 C ATOM 115 C LYS A 7 86.006 14.531 14.779 1.00 0.00 C ATOM 116 O LYS A 7 86.250 15.293 13.845 1.00 0.00 O ATOM 117 CB LYS A 7 87.170 14.302 17.049 1.00 0.00 C ATOM 118 CG LYS A 7 88.002 15.569 17.249 1.00 0.00 C ATOM 119 CD LYS A 7 87.215 16.625 18.028 1.00 0.00 C ATOM 120 CE LYS A 7 87.289 16.364 19.534 1.00 0.00 C ATOM 121 NZ LYS A 7 86.314 17.213 20.255 1.00 0.00 N ATOM 0 H LYS A 7 88.491 15.154 14.589 1.00 0.00 H new ATOM 0 HA LYS A 7 86.968 12.813 15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 7 86.153 14.472 17.401 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.584 13.492 17.650 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.919 15.325 17.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 88.297 15.972 16.280 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.612 17.616 17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.174 16.619 17.705 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.085 15.313 19.737 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.297 16.569 19.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.377 17.024 21.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.526 18.215 20.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.353 16.997 19.922 1.00 0.00 H new ATOM 134 N ALA A 8 84.786 14.199 15.177 1.00 0.00 N ATOM 135 CA ALA A 8 83.610 14.733 14.511 1.00 0.00 C ATOM 136 C ALA A 8 83.774 16.244 14.331 1.00 0.00 C ATOM 137 O ALA A 8 84.055 16.960 15.290 1.00 0.00 O ATOM 138 CB ALA A 8 82.360 14.374 15.316 1.00 0.00 C ATOM 0 H ALA A 8 84.587 13.567 15.952 1.00 0.00 H new ATOM 0 HA ALA A 8 83.497 14.293 13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 81.478 14.775 14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 8 82.274 13.290 15.390 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.436 14.801 16.316 1.00 0.00 H new ATOM 144 N GLU A 9 83.591 16.683 13.094 1.00 0.00 N ATOM 145 CA GLU A 9 83.714 18.096 12.776 1.00 0.00 C ATOM 146 C GLU A 9 82.637 18.509 11.772 1.00 0.00 C ATOM 147 O GLU A 9 82.716 19.584 11.179 1.00 0.00 O ATOM 148 CB GLU A 9 85.112 18.418 12.244 1.00 0.00 C ATOM 149 CG GLU A 9 85.356 17.738 10.896 1.00 0.00 C ATOM 150 CD GLU A 9 86.749 17.107 10.843 1.00 0.00 C ATOM 151 OE1 GLU A 9 87.313 16.763 11.892 1.00 0.00 O ATOM 152 OE2 GLU A 9 87.245 16.979 9.659 1.00 0.00 O ATOM 0 H GLU A 9 83.359 16.086 12.301 1.00 0.00 H new ATOM 0 HA GLU A 9 83.569 18.669 13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 9 85.224 19.497 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 85.863 18.089 12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 9 84.599 16.971 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 9 85.253 18.468 10.093 1.00 0.00 H new ATOM 160 N LYS A 10 81.654 17.635 11.612 1.00 0.00 N ATOM 161 CA LYS A 10 80.562 17.896 10.690 1.00 0.00 C ATOM 162 C LYS A 10 79.253 18.006 11.474 1.00 0.00 C ATOM 163 O LYS A 10 78.403 18.836 11.156 1.00 0.00 O ATOM 164 CB LYS A 10 80.530 16.838 9.585 1.00 0.00 C ATOM 165 CG LYS A 10 80.707 15.434 10.165 1.00 0.00 C ATOM 166 CD LYS A 10 79.959 14.395 9.326 1.00 0.00 C ATOM 167 CE LYS A 10 80.645 14.184 7.975 1.00 0.00 C ATOM 168 NZ LYS A 10 79.844 14.787 6.887 1.00 0.00 N ATOM 0 H LYS A 10 81.591 16.745 12.106 1.00 0.00 H new ATOM 0 HA LYS A 10 80.711 18.849 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 10 79.583 16.897 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 10 81.320 17.039 8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 10 81.767 15.183 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 10 80.339 15.411 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 10 79.914 13.450 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 10 78.931 14.721 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.640 14.630 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 10 80.776 13.118 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.324 14.635 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 78.904 14.343 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.740 15.808 7.057 1.00 0.00 H new ATOM 181 N HIS A 11 79.133 17.158 12.485 1.00 0.00 N ATOM 182 CA HIS A 11 77.942 17.150 13.317 1.00 0.00 C ATOM 183 C HIS A 11 76.710 16.892 12.447 1.00 0.00 C ATOM 184 O HIS A 11 76.772 17.010 11.225 1.00 0.00 O ATOM 185 CB HIS A 11 77.836 18.445 14.126 1.00 0.00 C ATOM 186 CG HIS A 11 77.623 18.229 15.605 1.00 0.00 C ATOM 187 ND1 HIS A 11 76.997 19.159 16.416 1.00 0.00 N ATOM 188 CD2 HIS A 11 77.958 17.180 16.410 1.00 0.00 C ATOM 189 CE1 HIS A 11 76.963 18.682 17.651 1.00 0.00 C ATOM 190 NE2 HIS A 11 77.560 17.455 17.646 1.00 0.00 N ATOM 0 H HIS A 11 79.841 16.472 12.747 1.00 0.00 H new ATOM 0 HA HIS A 11 78.007 16.340 14.044 1.00 0.00 H new ATOM 0 HB2 HIS A 11 78.746 19.027 13.982 1.00 0.00 H new ATOM 0 HB3 HIS A 11 77.011 19.040 13.734 1.00 0.00 H new ATOM 0 HD2 HIS A 11 78.462 16.278 16.095 1.00 0.00 H new ATOM 0 HE1 HIS A 11 76.537 19.177 18.511 1.00 0.00 H new ATOM 0 HE2 HIS A 11 77.680 16.849 18.458 1.00 0.00 H new ATOM 198 N VAL A 12 75.618 16.543 13.113 1.00 0.00 N ATOM 199 CA VAL A 12 74.374 16.267 12.416 1.00 0.00 C ATOM 200 C VAL A 12 73.282 15.947 13.439 1.00 0.00 C ATOM 201 O VAL A 12 73.483 15.125 14.331 1.00 0.00 O ATOM 202 CB VAL A 12 74.583 15.146 11.396 1.00 0.00 C ATOM 203 CG1 VAL A 12 75.223 13.921 12.051 1.00 0.00 C ATOM 204 CG2 VAL A 12 73.266 14.776 10.710 1.00 0.00 C ATOM 0 H VAL A 12 75.570 16.445 14.127 1.00 0.00 H new ATOM 0 HA VAL A 12 74.048 17.143 11.855 1.00 0.00 H new ATOM 0 HB VAL A 12 75.268 15.513 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 12 75.360 13.139 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 12 76.191 14.196 12.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 74.575 13.553 12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 12 73.443 13.977 9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 12 72.549 14.438 11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 12 72.867 15.649 10.193 1.00 0.00 H new ATOM 214 N HIS A 13 72.149 16.615 13.276 1.00 0.00 N ATOM 215 CA HIS A 13 71.025 16.413 14.174 1.00 0.00 C ATOM 216 C HIS A 13 69.991 15.505 13.505 1.00 0.00 C ATOM 217 O HIS A 13 70.309 14.788 12.557 1.00 0.00 O ATOM 218 CB HIS A 13 70.437 17.753 14.619 1.00 0.00 C ATOM 219 CG HIS A 13 70.450 17.963 16.114 1.00 0.00 C ATOM 220 ND1 HIS A 13 69.312 17.856 16.896 1.00 0.00 N ATOM 221 CD2 HIS A 13 71.472 18.273 16.962 1.00 0.00 C ATOM 222 CE1 HIS A 13 69.647 18.094 18.156 1.00 0.00 C ATOM 223 NE2 HIS A 13 70.986 18.353 18.195 1.00 0.00 N ATOM 0 H HIS A 13 71.986 17.297 12.535 1.00 0.00 H new ATOM 0 HA HIS A 13 71.365 15.913 15.081 1.00 0.00 H new ATOM 0 HB2 HIS A 13 70.996 18.559 14.144 1.00 0.00 H new ATOM 0 HB3 HIS A 13 69.410 17.824 14.261 1.00 0.00 H new ATOM 0 HD2 HIS A 13 72.503 18.427 16.679 1.00 0.00 H new ATOM 0 HE1 HIS A 13 68.977 18.085 19.003 1.00 0.00 H new ATOM 0 HE2 HIS A 13 71.525 18.572 19.033 1.00 0.00 H new ATOM 231 N ASN A 14 68.774 15.564 14.026 1.00 0.00 N ATOM 232 CA ASN A 14 67.691 14.756 13.491 1.00 0.00 C ATOM 233 C ASN A 14 66.611 15.675 12.915 1.00 0.00 C ATOM 234 O ASN A 14 65.606 15.944 13.570 1.00 0.00 O ATOM 235 CB ASN A 14 67.049 13.902 14.586 1.00 0.00 C ATOM 236 CG ASN A 14 66.392 12.654 13.993 1.00 0.00 C ATOM 237 OD1 ASN A 14 66.268 12.499 12.789 1.00 0.00 O ATOM 238 ND2 ASN A 14 65.979 11.776 14.902 1.00 0.00 N ATOM 0 H ASN A 14 68.514 16.159 14.813 1.00 0.00 H new ATOM 0 HA ASN A 14 68.105 14.105 12.721 1.00 0.00 H new ATOM 0 HB2 ASN A 14 67.806 13.608 15.314 1.00 0.00 H new ATOM 0 HB3 ASN A 14 66.304 14.490 15.121 1.00 0.00 H new ATOM 0 HD21 ASN A 14 65.527 10.910 14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 14 66.114 11.968 15.895 1.00 0.00 H new ATOM 245 N PHE A 15 66.857 16.130 11.695 1.00 0.00 N ATOM 246 CA PHE A 15 65.918 17.013 11.023 1.00 0.00 C ATOM 247 C PHE A 15 64.616 16.280 10.693 1.00 0.00 C ATOM 248 O PHE A 15 64.539 15.058 10.815 1.00 0.00 O ATOM 249 CB PHE A 15 66.581 17.462 9.720 1.00 0.00 C ATOM 250 CG PHE A 15 67.265 18.828 9.808 1.00 0.00 C ATOM 251 CD1 PHE A 15 68.525 18.926 10.310 1.00 0.00 C ATOM 252 CD2 PHE A 15 66.613 19.943 9.384 1.00 0.00 C ATOM 253 CE1 PHE A 15 69.160 20.194 10.392 1.00 0.00 C ATOM 254 CE2 PHE A 15 67.247 21.211 9.466 1.00 0.00 C ATOM 255 CZ PHE A 15 68.507 21.310 9.968 1.00 0.00 C ATOM 0 H PHE A 15 67.692 15.904 11.155 1.00 0.00 H new ATOM 0 HA PHE A 15 65.675 17.857 11.668 1.00 0.00 H new ATOM 0 HB2 PHE A 15 67.319 16.716 9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 15 65.827 17.495 8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 15 69.043 18.040 10.646 1.00 0.00 H new ATOM 0 HD2 PHE A 15 65.613 19.864 8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 15 70.161 20.272 10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 15 66.729 22.097 9.130 1.00 0.00 H new ATOM 0 HZ PHE A 15 68.989 22.274 10.030 1.00 0.00 H new ATOM 265 N MET A 16 63.625 17.057 10.281 1.00 0.00 N ATOM 266 CA MET A 16 62.331 16.497 9.933 1.00 0.00 C ATOM 267 C MET A 16 62.440 15.582 8.711 1.00 0.00 C ATOM 268 O MET A 16 62.077 15.975 7.603 1.00 0.00 O ATOM 269 CB MET A 16 61.347 17.630 9.636 1.00 0.00 C ATOM 270 CG MET A 16 61.039 18.435 10.900 1.00 0.00 C ATOM 271 SD MET A 16 59.294 18.351 11.268 1.00 0.00 S ATOM 272 CE MET A 16 59.311 17.140 12.579 1.00 0.00 C ATOM 0 H MET A 16 63.693 18.070 10.181 1.00 0.00 H new ATOM 0 HA MET A 16 61.974 15.905 10.776 1.00 0.00 H new ATOM 0 HB2 MET A 16 61.764 18.288 8.874 1.00 0.00 H new ATOM 0 HB3 MET A 16 60.424 17.217 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 16 61.615 18.045 11.739 1.00 0.00 H new ATOM 0 HG3 MET A 16 61.340 19.473 10.762 1.00 0.00 H new ATOM 0 HE1 MET A 16 58.293 16.967 12.928 1.00 0.00 H new ATOM 0 HE2 MET A 16 59.730 16.206 12.206 1.00 0.00 H new ATOM 0 HE3 MET A 16 59.920 17.507 13.405 1.00 0.00 H new ATOM 282 N MET A 17 62.942 14.380 8.954 1.00 0.00 N ATOM 283 CA MET A 17 63.103 13.407 7.888 1.00 0.00 C ATOM 284 C MET A 17 61.753 13.049 7.262 1.00 0.00 C ATOM 285 O MET A 17 61.608 13.061 6.041 1.00 0.00 O ATOM 286 CB MET A 17 63.759 12.142 8.445 1.00 0.00 C ATOM 287 CG MET A 17 62.872 11.488 9.507 1.00 0.00 C ATOM 288 SD MET A 17 63.810 10.277 10.423 1.00 0.00 S ATOM 289 CE MET A 17 63.581 8.850 9.376 1.00 0.00 C ATOM 0 H MET A 17 63.243 14.058 9.874 1.00 0.00 H new ATOM 0 HA MET A 17 63.735 13.845 7.116 1.00 0.00 H new ATOM 0 HB2 MET A 17 63.943 11.436 7.635 1.00 0.00 H new ATOM 0 HB3 MET A 17 64.728 12.391 8.878 1.00 0.00 H new ATOM 0 HG2 MET A 17 62.482 12.247 10.185 1.00 0.00 H new ATOM 0 HG3 MET A 17 62.013 11.013 9.033 1.00 0.00 H new ATOM 0 HE1 MET A 17 64.149 8.010 9.776 1.00 0.00 H new ATOM 0 HE2 MET A 17 62.523 8.589 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 17 63.930 9.078 8.369 1.00 0.00 H new ATOM 299 N ASP A 18 60.799 12.740 8.129 1.00 0.00 N ATOM 300 CA ASP A 18 59.466 12.380 7.677 1.00 0.00 C ATOM 301 C ASP A 18 59.576 11.488 6.439 1.00 0.00 C ATOM 302 O ASP A 18 59.355 11.945 5.318 1.00 0.00 O ATOM 303 CB ASP A 18 58.660 13.623 7.294 1.00 0.00 C ATOM 304 CG ASP A 18 57.769 14.183 8.405 1.00 0.00 C ATOM 305 OD1 ASP A 18 58.073 15.226 9.003 1.00 0.00 O ATOM 306 OD2 ASP A 18 56.708 13.492 8.654 1.00 0.00 O ATOM 0 H ASP A 18 60.923 12.732 9.141 1.00 0.00 H new ATOM 0 HA ASP A 18 58.962 11.860 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 59.352 14.403 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 18 58.035 13.382 6.434 1.00 0.00 H new ATOM 312 N THR A 19 59.917 10.231 6.682 1.00 0.00 N ATOM 313 CA THR A 19 60.059 9.271 5.601 1.00 0.00 C ATOM 314 C THR A 19 59.084 8.107 5.791 1.00 0.00 C ATOM 315 O THR A 19 59.474 6.944 5.690 1.00 0.00 O ATOM 316 CB THR A 19 61.524 8.834 5.545 1.00 0.00 C ATOM 317 OG1 THR A 19 61.812 8.415 6.876 1.00 0.00 O ATOM 318 CG2 THR A 19 62.476 10.008 5.310 1.00 0.00 C ATOM 0 H THR A 19 60.099 9.855 7.613 1.00 0.00 H new ATOM 0 HA THR A 19 59.802 9.716 4.640 1.00 0.00 H new ATOM 0 HB THR A 19 61.653 8.097 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 19 62.684 7.967 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 19 63.503 9.643 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 19 62.233 10.490 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 19 62.372 10.729 6.121 1.00 0.00 H new ATOM 326 N GLN A 20 57.837 8.460 6.063 1.00 0.00 N ATOM 327 CA GLN A 20 56.804 7.458 6.267 1.00 0.00 C ATOM 328 C GLN A 20 55.494 7.906 5.615 1.00 0.00 C ATOM 329 O GLN A 20 54.881 7.150 4.863 1.00 0.00 O ATOM 330 CB GLN A 20 56.605 7.173 7.757 1.00 0.00 C ATOM 331 CG GLN A 20 56.363 8.467 8.536 1.00 0.00 C ATOM 332 CD GLN A 20 56.889 8.352 9.968 1.00 0.00 C ATOM 333 OE1 GLN A 20 57.939 8.870 10.314 1.00 0.00 O ATOM 334 NE2 GLN A 20 56.105 7.647 10.778 1.00 0.00 N ATOM 0 H GLN A 20 57.518 9.425 6.147 1.00 0.00 H new ATOM 0 HA GLN A 20 57.125 6.531 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 20 55.759 6.500 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 20 57.484 6.664 8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 20 56.855 9.298 8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 20 55.296 8.691 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 20 55.239 7.241 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 20 56.369 7.513 11.754 1.00 0.00 H new ATOM 343 N LEU A 21 55.104 9.133 5.927 1.00 0.00 N ATOM 344 CA LEU A 21 53.878 9.690 5.381 1.00 0.00 C ATOM 345 C LEU A 21 52.683 8.883 5.893 1.00 0.00 C ATOM 346 O LEU A 21 52.502 7.727 5.515 1.00 0.00 O ATOM 347 CB LEU A 21 53.958 9.768 3.855 1.00 0.00 C ATOM 348 CG LEU A 21 54.516 11.070 3.278 1.00 0.00 C ATOM 349 CD1 LEU A 21 54.797 10.931 1.781 1.00 0.00 C ATOM 350 CD2 LEU A 21 53.586 12.247 3.580 1.00 0.00 C ATOM 0 H LEU A 21 55.615 9.757 6.551 1.00 0.00 H new ATOM 0 HA LEU A 21 53.741 10.716 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 21 54.576 8.943 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 21 52.958 9.614 3.450 1.00 0.00 H new ATOM 0 HG LEU A 21 55.468 11.279 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 55.193 11.871 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 55.526 10.137 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 53.872 10.686 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 21 54.006 13.160 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 21 52.607 12.060 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 21 53.481 12.360 4.659 1.00 0.00 H new ATOM 362 N THR A 22 51.898 9.525 6.746 1.00 0.00 N ATOM 363 CA THR A 22 50.726 8.882 7.314 1.00 0.00 C ATOM 364 C THR A 22 49.891 9.894 8.100 1.00 0.00 C ATOM 365 O THR A 22 50.425 10.650 8.910 1.00 0.00 O ATOM 366 CB THR A 22 51.200 7.698 8.160 1.00 0.00 C ATOM 367 OG1 THR A 22 50.022 6.921 8.360 1.00 0.00 O ATOM 368 CG2 THR A 22 51.615 8.116 9.572 1.00 0.00 C ATOM 0 H THR A 22 52.051 10.484 7.057 1.00 0.00 H new ATOM 0 HA THR A 22 50.067 8.500 6.534 1.00 0.00 H new ATOM 0 HB THR A 22 52.040 7.211 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 22 50.239 6.131 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 22 51.943 7.239 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 22 52.432 8.835 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 22 50.766 8.573 10.081 1.00 0.00 H new ATOM 376 N LYS A 23 48.593 9.876 7.834 1.00 0.00 N ATOM 377 CA LYS A 23 47.678 10.782 8.506 1.00 0.00 C ATOM 378 C LYS A 23 47.384 10.254 9.912 1.00 0.00 C ATOM 379 O LYS A 23 48.277 9.745 10.587 1.00 0.00 O ATOM 380 CB LYS A 23 46.424 11.005 7.658 1.00 0.00 C ATOM 381 CG LYS A 23 45.562 9.741 7.612 1.00 0.00 C ATOM 382 CD LYS A 23 45.200 9.377 6.171 1.00 0.00 C ATOM 383 CE LYS A 23 44.559 10.564 5.450 1.00 0.00 C ATOM 384 NZ LYS A 23 45.531 11.199 4.532 1.00 0.00 N ATOM 0 H LYS A 23 48.153 9.248 7.162 1.00 0.00 H new ATOM 0 HA LYS A 23 48.134 11.765 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 23 45.844 11.831 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 23 46.711 11.291 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 23 46.099 8.913 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 23 44.652 9.896 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 23 46.096 9.062 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 23 44.513 8.531 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 23 43.686 10.229 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.208 11.294 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.801 12.132 4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 46.377 10.599 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.099 11.313 3.593 1.00 0.00 H new ATOM 397 N ARG A 24 46.128 10.394 10.311 1.00 0.00 N ATOM 398 CA ARG A 24 45.706 9.937 11.624 1.00 0.00 C ATOM 399 C ARG A 24 44.757 8.744 11.491 1.00 0.00 C ATOM 400 O ARG A 24 44.356 8.385 10.385 1.00 0.00 O ATOM 401 CB ARG A 24 45.002 11.055 12.396 1.00 0.00 C ATOM 402 CG ARG A 24 43.713 11.482 11.691 1.00 0.00 C ATOM 403 CD ARG A 24 43.806 12.931 11.208 1.00 0.00 C ATOM 404 NE ARG A 24 42.991 13.807 12.079 1.00 0.00 N ATOM 405 CZ ARG A 24 43.057 15.155 12.070 1.00 0.00 C ATOM 406 NH1 ARG A 24 43.904 15.794 11.235 1.00 0.00 N ATOM 407 NH2 ARG A 24 42.283 15.840 12.891 1.00 0.00 N ATOM 0 H ARG A 24 45.390 10.817 9.748 1.00 0.00 H new ATOM 0 HA ARG A 24 46.598 9.637 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 24 44.773 10.715 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 24 45.669 11.912 12.491 1.00 0.00 H new ATOM 0 HG2 ARG A 24 43.523 10.824 10.843 1.00 0.00 H new ATOM 0 HG3 ARG A 24 42.869 11.376 12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 44.845 13.260 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 24 43.458 13.003 10.178 1.00 0.00 H new ATOM 0 HE ARG A 24 42.339 13.364 12.726 1.00 0.00 H new ATOM 0 HH11 ARG A 24 44.500 15.258 10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 43.948 16.813 11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 24 41.647 15.350 13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 24 42.321 16.859 12.896 1.00 0.00 H new ATOM 420 N VAL A 25 44.426 8.162 12.634 1.00 0.00 N ATOM 421 CA VAL A 25 43.532 7.016 12.660 1.00 0.00 C ATOM 422 C VAL A 25 43.862 6.092 11.486 1.00 0.00 C ATOM 423 O VAL A 25 42.978 5.723 10.715 1.00 0.00 O ATOM 424 CB VAL A 25 42.077 7.488 12.658 1.00 0.00 C ATOM 425 CG1 VAL A 25 41.805 8.426 11.480 1.00 0.00 C ATOM 426 CG2 VAL A 25 41.115 6.299 12.646 1.00 0.00 C ATOM 0 H VAL A 25 44.761 8.462 13.549 1.00 0.00 H new ATOM 0 HA VAL A 25 43.672 6.442 13.576 1.00 0.00 H new ATOM 0 HB VAL A 25 41.906 8.048 13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 25 40.763 8.746 11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.455 9.298 11.552 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.003 7.902 10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 25 40.087 6.662 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.289 5.699 11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 25 41.282 5.687 13.532 1.00 0.00 H new ATOM 436 N LYS A 26 45.137 5.745 11.388 1.00 0.00 N ATOM 437 CA LYS A 26 45.594 4.870 10.321 1.00 0.00 C ATOM 438 C LYS A 26 45.342 5.545 8.971 1.00 0.00 C ATOM 439 O LYS A 26 44.215 5.932 8.668 1.00 0.00 O ATOM 440 CB LYS A 26 44.950 3.489 10.448 1.00 0.00 C ATOM 441 CG LYS A 26 45.545 2.712 11.625 1.00 0.00 C ATOM 442 CD LYS A 26 47.000 2.327 11.348 1.00 0.00 C ATOM 443 CE LYS A 26 47.476 1.249 12.324 1.00 0.00 C ATOM 444 NZ LYS A 26 48.653 0.538 11.777 1.00 0.00 N ATOM 0 H LYS A 26 45.868 6.054 12.029 1.00 0.00 H new ATOM 0 HA LYS A 26 46.668 4.703 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.874 3.597 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 26 45.099 2.928 9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 26 45.491 3.318 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 44.956 1.813 11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 26 47.096 1.964 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 26 47.636 3.208 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 26 47.731 1.704 13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.670 0.539 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 48.963 -0.190 12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 48.398 0.088 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 49.426 1.216 11.620 1.00 0.00 H new ATOM 457 N ASN A 27 46.411 5.665 8.197 1.00 0.00 N ATOM 458 CA ASN A 27 46.319 6.286 6.886 1.00 0.00 C ATOM 459 C ASN A 27 45.567 5.353 5.936 1.00 0.00 C ATOM 460 O ASN A 27 44.739 5.803 5.144 1.00 0.00 O ATOM 461 CB ASN A 27 47.709 6.539 6.299 1.00 0.00 C ATOM 462 CG ASN A 27 48.421 5.221 5.989 1.00 0.00 C ATOM 463 OD1 ASN A 27 48.469 4.307 6.795 1.00 0.00 O ATOM 464 ND2 ASN A 27 48.971 5.175 4.778 1.00 0.00 N ATOM 0 H ASN A 27 47.345 5.343 8.452 1.00 0.00 H new ATOM 0 HA ASN A 27 45.796 7.236 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 27 47.621 7.132 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 27 48.304 7.121 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 27 49.470 4.338 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 27 48.894 5.977 4.152 1.00 0.00 H new ATOM 471 N ALA A 28 45.880 4.070 6.046 1.00 0.00 N ATOM 472 CA ALA A 28 45.244 3.070 5.206 1.00 0.00 C ATOM 473 C ALA A 28 43.740 3.054 5.489 1.00 0.00 C ATOM 474 O ALA A 28 42.966 2.490 4.718 1.00 0.00 O ATOM 475 CB ALA A 28 45.898 1.708 5.449 1.00 0.00 C ATOM 0 H ALA A 28 46.566 3.700 6.704 1.00 0.00 H new ATOM 0 HA ALA A 28 45.378 3.312 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.421 0.958 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.959 1.765 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.781 1.430 6.496 1.00 0.00 H new ATOM 481 N ALA A 29 43.373 3.680 6.597 1.00 0.00 N ATOM 482 CA ALA A 29 41.976 3.745 6.992 1.00 0.00 C ATOM 483 C ALA A 29 41.330 4.982 6.365 1.00 0.00 C ATOM 484 O ALA A 29 40.523 5.656 7.002 1.00 0.00 O ATOM 485 CB ALA A 29 41.876 3.746 8.519 1.00 0.00 C ATOM 0 H ALA A 29 44.019 4.147 7.234 1.00 0.00 H new ATOM 0 HA ALA A 29 41.434 2.871 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.828 3.795 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.322 2.833 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.406 4.611 8.918 1.00 0.00 H new ATOM 491 N ALA A 30 41.710 5.242 5.122 1.00 0.00 N ATOM 492 CA ALA A 30 41.178 6.386 4.402 1.00 0.00 C ATOM 493 C ALA A 30 39.663 6.231 4.254 1.00 0.00 C ATOM 494 O ALA A 30 38.953 7.212 4.039 1.00 0.00 O ATOM 495 CB ALA A 30 41.886 6.513 3.051 1.00 0.00 C ATOM 0 H ALA A 30 42.379 4.680 4.596 1.00 0.00 H new ATOM 0 HA ALA A 30 41.362 7.307 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.487 7.371 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.955 6.651 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.721 5.608 2.467 1.00 0.00 H new ATOM 501 N ASN A 31 39.213 4.991 4.375 1.00 0.00 N ATOM 502 CA ASN A 31 37.796 4.694 4.257 1.00 0.00 C ATOM 503 C ASN A 31 37.060 5.249 5.479 1.00 0.00 C ATOM 504 O ASN A 31 35.935 5.732 5.364 1.00 0.00 O ATOM 505 CB ASN A 31 37.551 3.185 4.203 1.00 0.00 C ATOM 506 CG ASN A 31 37.384 2.708 2.759 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.215 3.487 1.836 1.00 0.00 O ATOM 508 ND2 ASN A 31 37.440 1.387 2.616 1.00 0.00 N ATOM 0 H ASN A 31 39.805 4.180 4.554 1.00 0.00 H new ATOM 0 HA ASN A 31 37.431 5.151 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.385 2.661 4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.658 2.937 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.339 0.969 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.584 0.791 3.431 1.00 0.00 H new ATOM 515 N VAL A 32 37.726 5.161 6.621 1.00 0.00 N ATOM 516 CA VAL A 32 37.149 5.649 7.862 1.00 0.00 C ATOM 517 C VAL A 32 37.359 7.161 7.958 1.00 0.00 C ATOM 518 O VAL A 32 36.811 7.812 8.846 1.00 0.00 O ATOM 519 CB VAL A 32 37.742 4.886 9.049 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.342 5.538 10.374 1.00 0.00 C ATOM 521 CG2 VAL A 32 37.330 3.413 9.016 1.00 0.00 C ATOM 0 H VAL A 32 38.659 4.759 6.713 1.00 0.00 H new ATOM 0 HA VAL A 32 36.074 5.469 7.880 1.00 0.00 H new ATOM 0 HB VAL A 32 38.828 4.931 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 32 37.776 4.977 11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.709 6.564 10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.256 5.538 10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 32 37.765 2.894 9.870 1.00 0.00 H new ATOM 0 HG22 VAL A 32 36.243 3.338 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.688 2.956 8.093 1.00 0.00 H new ATOM 531 N LEU A 33 38.155 7.676 7.032 1.00 0.00 N ATOM 532 CA LEU A 33 38.444 9.099 7.001 1.00 0.00 C ATOM 533 C LEU A 33 37.142 9.876 6.794 1.00 0.00 C ATOM 534 O LEU A 33 37.012 11.010 7.252 1.00 0.00 O ATOM 535 CB LEU A 33 39.515 9.406 5.952 1.00 0.00 C ATOM 536 CG LEU A 33 40.092 10.822 5.977 1.00 0.00 C ATOM 537 CD1 LEU A 33 39.057 11.845 5.504 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.645 11.165 7.362 1.00 0.00 C ATOM 0 H LEU A 33 38.609 7.133 6.298 1.00 0.00 H new ATOM 0 HA LEU A 33 38.861 9.423 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.334 8.699 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 33 39.090 9.226 4.964 1.00 0.00 H new ATOM 0 HG LEU A 33 40.927 10.862 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.493 12.843 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 33 38.753 11.610 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 38.186 11.811 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 33 41.049 12.177 7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.845 11.101 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.436 10.461 7.623 1.00 0.00 H new ATOM 550 N ARG A 34 36.210 9.233 6.105 1.00 0.00 N ATOM 551 CA ARG A 34 34.922 9.849 5.833 1.00 0.00 C ATOM 552 C ARG A 34 33.803 9.064 6.519 1.00 0.00 C ATOM 553 O ARG A 34 32.749 9.619 6.826 1.00 0.00 O ATOM 554 CB ARG A 34 34.647 9.907 4.329 1.00 0.00 C ATOM 555 CG ARG A 34 34.441 11.351 3.865 1.00 0.00 C ATOM 556 CD ARG A 34 34.934 11.540 2.429 1.00 0.00 C ATOM 557 NE ARG A 34 34.350 12.772 1.852 1.00 0.00 N ATOM 558 CZ ARG A 34 34.888 14.002 1.994 1.00 0.00 C ATOM 559 NH1 ARG A 34 36.028 14.175 2.697 1.00 0.00 N ATOM 560 NH2 ARG A 34 34.282 15.034 1.436 1.00 0.00 N ATOM 0 H ARG A 34 36.321 8.292 5.727 1.00 0.00 H new ATOM 0 HA ARG A 34 34.950 10.865 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.481 9.462 3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.762 9.316 4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 34 33.384 11.610 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.975 12.030 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 34 36.022 11.602 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.656 10.677 1.824 1.00 0.00 H new ATOM 0 HE ARG A 34 33.488 12.686 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 34 36.490 13.373 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 34 36.428 15.108 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 34 33.421 14.895 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 34 34.675 15.970 1.534 1.00 0.00 H new ATOM 573 N GLU A 35 34.069 7.785 6.740 1.00 0.00 N ATOM 574 CA GLU A 35 33.097 6.918 7.385 1.00 0.00 C ATOM 575 C GLU A 35 31.821 6.835 6.545 1.00 0.00 C ATOM 576 O GLU A 35 30.750 6.529 7.066 1.00 0.00 O ATOM 577 CB GLU A 35 32.789 7.400 8.804 1.00 0.00 C ATOM 578 CG GLU A 35 34.078 7.667 9.585 1.00 0.00 C ATOM 579 CD GLU A 35 33.802 7.752 11.087 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.785 8.332 11.498 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.687 7.189 11.837 1.00 0.00 O ATOM 0 H GLU A 35 34.944 7.328 6.484 1.00 0.00 H new ATOM 0 HA GLU A 35 33.525 5.918 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.191 8.310 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.193 6.651 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 34.798 6.872 9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.529 8.598 9.241 1.00 0.00 H new ATOM 589 N THR A 36 31.978 7.113 5.259 1.00 0.00 N ATOM 590 CA THR A 36 30.852 7.074 4.342 1.00 0.00 C ATOM 591 C THR A 36 30.690 5.669 3.757 1.00 0.00 C ATOM 592 O THR A 36 30.229 5.513 2.627 1.00 0.00 O ATOM 593 CB THR A 36 31.069 8.153 3.280 1.00 0.00 C ATOM 594 OG1 THR A 36 30.771 9.371 3.957 1.00 0.00 O ATOM 595 CG2 THR A 36 30.030 8.088 2.158 1.00 0.00 C ATOM 0 H THR A 36 32.868 7.366 4.831 1.00 0.00 H new ATOM 0 HA THR A 36 29.915 7.288 4.856 1.00 0.00 H new ATOM 0 HB THR A 36 32.068 8.049 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.888 10.124 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.230 8.875 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.086 7.117 1.666 1.00 0.00 H new ATOM 0 HG23 THR A 36 29.033 8.225 2.577 1.00 0.00 H new ATOM 603 N TRP A 37 31.078 4.683 4.553 1.00 0.00 N ATOM 604 CA TRP A 37 30.981 3.297 4.128 1.00 0.00 C ATOM 605 C TRP A 37 30.603 2.454 5.347 1.00 0.00 C ATOM 606 O TRP A 37 30.800 1.240 5.352 1.00 0.00 O ATOM 607 CB TRP A 37 32.279 2.836 3.461 1.00 0.00 C ATOM 608 CG TRP A 37 33.227 3.978 3.090 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.134 4.583 3.868 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.325 4.630 1.806 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.807 5.574 3.183 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.300 5.604 1.889 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.614 4.405 0.614 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.652 6.430 0.815 1.00 0.00 C ATOM 615 CZ3 TRP A 37 32.978 5.239 -0.450 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.957 6.224 -0.383 1.00 0.00 C ATOM 0 H TRP A 37 31.460 4.817 5.489 1.00 0.00 H new ATOM 0 HA TRP A 37 30.207 3.179 3.370 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.797 2.151 4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 37 32.033 2.274 2.560 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.316 4.327 4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.542 6.174 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.848 3.649 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.418 7.186 0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 32.462 5.108 -1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 37 34.180 6.827 -1.251 1.00 0.00 H new ATOM 627 N LEU A 38 30.066 3.131 6.351 1.00 0.00 N ATOM 628 CA LEU A 38 29.659 2.460 7.574 1.00 0.00 C ATOM 629 C LEU A 38 28.351 3.075 8.077 1.00 0.00 C ATOM 630 O LEU A 38 27.483 2.366 8.584 1.00 0.00 O ATOM 631 CB LEU A 38 30.789 2.490 8.604 1.00 0.00 C ATOM 632 CG LEU A 38 31.984 3.384 8.263 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.875 3.598 9.488 1.00 0.00 C ATOM 634 CD2 LEU A 38 32.767 2.821 7.076 1.00 0.00 C ATOM 0 H LEU A 38 29.903 4.138 6.343 1.00 0.00 H new ATOM 0 HA LEU A 38 29.463 1.405 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.376 2.818 9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.151 1.472 8.747 1.00 0.00 H new ATOM 0 HG LEU A 38 31.606 4.362 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.716 4.236 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.297 4.074 10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.247 2.636 9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.611 3.474 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.135 1.825 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.115 2.762 6.205 1.00 0.00 H new ATOM 646 N ILE A 39 28.252 4.386 7.919 1.00 0.00 N ATOM 647 CA ILE A 39 27.065 5.104 8.351 1.00 0.00 C ATOM 648 C ILE A 39 26.212 5.453 7.129 1.00 0.00 C ATOM 649 O ILE A 39 24.986 5.486 7.213 1.00 0.00 O ATOM 650 CB ILE A 39 27.452 6.319 9.197 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.779 6.916 8.725 1.00 0.00 C ATOM 652 CG2 ILE A 39 27.480 5.963 10.685 1.00 0.00 C ATOM 653 CD1 ILE A 39 29.098 8.208 9.480 1.00 0.00 C ATOM 0 H ILE A 39 28.974 4.970 7.498 1.00 0.00 H new ATOM 0 HA ILE A 39 26.454 4.475 8.998 1.00 0.00 H new ATOM 0 HB ILE A 39 26.689 7.086 9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.581 6.194 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.731 7.118 7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 39 27.758 6.843 11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 39 26.493 5.620 10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 39 28.209 5.171 10.856 1.00 0.00 H new ATOM 0 HD11 ILE A 39 30.046 8.612 9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 39 28.306 8.936 9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.169 7.998 10.547 1.00 0.00 H new ATOM 665 N TYR A 40 26.896 5.704 6.022 1.00 0.00 N ATOM 666 CA TYR A 40 26.217 6.049 4.785 1.00 0.00 C ATOM 667 C TYR A 40 24.963 6.881 5.062 1.00 0.00 C ATOM 668 O TYR A 40 23.866 6.337 5.181 1.00 0.00 O ATOM 669 CB TYR A 40 25.803 4.722 4.147 1.00 0.00 C ATOM 670 CG TYR A 40 25.616 3.581 5.150 1.00 0.00 C ATOM 671 CD1 TYR A 40 24.410 3.428 5.804 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.653 2.706 5.401 1.00 0.00 C ATOM 673 CE1 TYR A 40 24.234 2.354 6.747 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.477 1.632 6.344 1.00 0.00 C ATOM 675 CZ TYR A 40 25.276 1.510 6.971 1.00 0.00 C ATOM 676 OH TYR A 40 25.110 0.496 7.862 1.00 0.00 O ATOM 0 H TYR A 40 27.913 5.675 5.956 1.00 0.00 H new ATOM 0 HA TYR A 40 26.870 6.637 4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 40 24.871 4.868 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.558 4.430 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 40 23.599 4.114 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 40 27.597 2.827 4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 40 23.295 2.222 7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.280 0.939 6.549 1.00 0.00 H new ATOM 0 HH TYR A 40 25.937 -0.027 7.920 1.00 0.00 H new ATOM 686 N LYS A 41 25.167 8.187 5.155 1.00 0.00 N ATOM 687 CA LYS A 41 24.067 9.100 5.415 1.00 0.00 C ATOM 688 C LYS A 41 22.863 8.697 4.561 1.00 0.00 C ATOM 689 O LYS A 41 21.968 7.997 5.033 1.00 0.00 O ATOM 690 CB LYS A 41 24.512 10.549 5.207 1.00 0.00 C ATOM 691 CG LYS A 41 25.039 11.153 6.509 1.00 0.00 C ATOM 692 CD LYS A 41 26.522 11.511 6.387 1.00 0.00 C ATOM 693 CE LYS A 41 26.711 12.799 5.585 1.00 0.00 C ATOM 694 NZ LYS A 41 28.059 13.363 5.819 1.00 0.00 N ATOM 0 H LYS A 41 26.078 8.635 5.055 1.00 0.00 H new ATOM 0 HA LYS A 41 23.755 9.034 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 41 25.289 10.589 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 41 23.674 11.141 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.465 12.046 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.898 10.445 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 41 26.954 11.631 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 41 27.058 10.695 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 41 26.575 12.596 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.951 13.527 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 28.170 14.237 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 28.176 13.575 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 28.780 12.673 5.524 1.00 0.00 H new ATOM 707 N ASN A 42 22.880 9.157 3.318 1.00 0.00 N ATOM 708 CA ASN A 42 21.800 8.853 2.394 1.00 0.00 C ATOM 709 C ASN A 42 20.518 9.537 2.871 1.00 0.00 C ATOM 710 O ASN A 42 19.887 9.085 3.826 1.00 0.00 O ATOM 711 CB ASN A 42 21.538 7.347 2.329 1.00 0.00 C ATOM 712 CG ASN A 42 22.021 6.762 1.001 1.00 0.00 C ATOM 713 OD1 ASN A 42 21.755 7.283 -0.070 1.00 0.00 O ATOM 714 ND2 ASN A 42 22.745 5.654 1.130 1.00 0.00 N ATOM 0 H ASN A 42 23.624 9.737 2.930 1.00 0.00 H new ATOM 0 HA ASN A 42 22.091 9.211 1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 42 22.046 6.850 3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.472 7.155 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 42 23.115 5.187 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.930 5.271 2.057 1.00 0.00 H new ATOM 721 N THR A 43 20.170 10.616 2.185 1.00 0.00 N ATOM 722 CA THR A 43 18.974 11.367 2.527 1.00 0.00 C ATOM 723 C THR A 43 18.049 11.479 1.314 1.00 0.00 C ATOM 724 O THR A 43 17.737 12.582 0.867 1.00 0.00 O ATOM 725 CB THR A 43 19.411 12.722 3.087 1.00 0.00 C ATOM 726 OG1 THR A 43 18.189 13.351 3.467 1.00 0.00 O ATOM 727 CG2 THR A 43 19.984 13.644 2.008 1.00 0.00 C ATOM 0 H THR A 43 20.695 10.988 1.394 1.00 0.00 H new ATOM 0 HA THR A 43 18.391 10.856 3.293 1.00 0.00 H new ATOM 0 HB THR A 43 20.156 12.569 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.604 13.429 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 43 20.279 14.592 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.855 13.173 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.227 13.825 1.244 1.00 0.00 H new ATOM 735 N LYS A 44 17.637 10.323 0.815 1.00 0.00 N ATOM 736 CA LYS A 44 16.755 10.278 -0.339 1.00 0.00 C ATOM 737 C LYS A 44 16.106 8.895 -0.425 1.00 0.00 C ATOM 738 O LYS A 44 16.743 7.886 -0.125 1.00 0.00 O ATOM 739 CB LYS A 44 17.509 10.684 -1.607 1.00 0.00 C ATOM 740 CG LYS A 44 18.507 9.600 -2.022 1.00 0.00 C ATOM 741 CD LYS A 44 18.440 9.342 -3.528 1.00 0.00 C ATOM 742 CE LYS A 44 19.805 9.561 -4.183 1.00 0.00 C ATOM 743 NZ LYS A 44 19.656 10.299 -5.457 1.00 0.00 N ATOM 0 H LYS A 44 17.898 9.410 1.189 1.00 0.00 H new ATOM 0 HA LYS A 44 15.949 11.003 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.800 10.859 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.036 11.623 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 44 19.516 9.905 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.294 8.678 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.104 8.321 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.704 10.006 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.454 10.118 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.285 8.600 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.592 10.439 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.054 9.753 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.218 11.224 -5.273 1.00 0.00 H new ATOM 756 N LEU A 45 14.847 8.892 -0.837 1.00 0.00 N ATOM 757 CA LEU A 45 14.105 7.649 -0.966 1.00 0.00 C ATOM 758 C LEU A 45 13.412 7.614 -2.330 1.00 0.00 C ATOM 759 O LEU A 45 12.508 6.810 -2.550 1.00 0.00 O ATOM 760 CB LEU A 45 13.148 7.471 0.214 1.00 0.00 C ATOM 761 CG LEU A 45 12.206 8.643 0.497 1.00 0.00 C ATOM 762 CD1 LEU A 45 11.169 8.794 -0.618 1.00 0.00 C ATOM 763 CD2 LEU A 45 11.552 8.501 1.873 1.00 0.00 C ATOM 0 H LEU A 45 14.322 9.730 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 45 14.782 6.796 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.545 6.581 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.739 7.281 1.110 1.00 0.00 H new ATOM 0 HG LEU A 45 12.796 9.559 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.512 9.634 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.677 8.975 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.578 7.881 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.888 9.347 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.978 7.575 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.324 8.480 2.642 1.00 0.00 H new ATOM 775 N VAL A 46 13.863 8.496 -3.210 1.00 0.00 N ATOM 776 CA VAL A 46 13.298 8.575 -4.546 1.00 0.00 C ATOM 777 C VAL A 46 11.810 8.915 -4.447 1.00 0.00 C ATOM 778 O VAL A 46 11.029 8.144 -3.891 1.00 0.00 O ATOM 779 CB VAL A 46 13.565 7.274 -5.306 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.794 7.242 -6.627 1.00 0.00 C ATOM 781 CG2 VAL A 46 15.063 7.073 -5.540 1.00 0.00 C ATOM 0 H VAL A 46 14.613 9.162 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 46 13.776 9.372 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 46 13.209 6.448 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.002 6.307 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.725 7.316 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.105 8.080 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.225 6.141 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.455 7.905 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 46 15.578 7.029 -4.581 1.00 0.00 H new ATOM 791 N LYS A 47 11.461 10.070 -4.994 1.00 0.00 N ATOM 792 CA LYS A 47 10.080 10.522 -4.974 1.00 0.00 C ATOM 793 C LYS A 47 9.754 11.211 -6.300 1.00 0.00 C ATOM 794 O LYS A 47 10.368 12.218 -6.648 1.00 0.00 O ATOM 795 CB LYS A 47 9.821 11.398 -3.746 1.00 0.00 C ATOM 796 CG LYS A 47 10.605 12.708 -3.832 1.00 0.00 C ATOM 797 CD LYS A 47 9.685 13.876 -4.194 1.00 0.00 C ATOM 798 CE LYS A 47 9.387 14.740 -2.967 1.00 0.00 C ATOM 799 NZ LYS A 47 9.535 16.175 -3.297 1.00 0.00 N ATOM 0 H LYS A 47 12.111 10.707 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 47 9.403 9.673 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.755 11.612 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.106 10.858 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.093 12.907 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.393 12.616 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.152 14.485 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.752 13.494 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.375 14.544 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.064 14.475 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.329 16.748 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.509 16.360 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.871 16.427 -4.057 1.00 0.00 H new ATOM 812 N LYS A 48 8.788 10.640 -7.005 1.00 0.00 N ATOM 813 CA LYS A 48 8.373 11.186 -8.286 1.00 0.00 C ATOM 814 C LYS A 48 8.020 12.665 -8.114 1.00 0.00 C ATOM 815 O LYS A 48 7.160 13.012 -7.307 1.00 0.00 O ATOM 816 CB LYS A 48 7.239 10.349 -8.883 1.00 0.00 C ATOM 817 CG LYS A 48 7.580 8.858 -8.844 1.00 0.00 C ATOM 818 CD LYS A 48 7.830 8.316 -10.253 1.00 0.00 C ATOM 819 CE LYS A 48 6.519 7.890 -10.917 1.00 0.00 C ATOM 820 NZ LYS A 48 6.400 6.415 -10.930 1.00 0.00 N ATOM 0 H LYS A 48 8.281 9.805 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 48 9.190 11.134 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.318 10.530 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.057 10.658 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.465 8.700 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.763 8.307 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.317 9.080 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.510 7.466 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.675 8.324 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.480 8.273 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.505 6.143 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.196 6.007 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.416 6.057 -9.954 1.00 0.00 H new ATOM 833 N ILE A 49 8.704 13.496 -8.887 1.00 0.00 N ATOM 834 CA ILE A 49 8.474 14.930 -8.830 1.00 0.00 C ATOM 835 C ILE A 49 7.005 15.220 -9.146 1.00 0.00 C ATOM 836 O ILE A 49 6.218 14.298 -9.353 1.00 0.00 O ATOM 837 CB ILE A 49 9.456 15.666 -9.744 1.00 0.00 C ATOM 838 CG1 ILE A 49 9.346 15.164 -11.185 1.00 0.00 C ATOM 839 CG2 ILE A 49 10.886 15.564 -9.208 1.00 0.00 C ATOM 840 CD1 ILE A 49 8.420 16.060 -12.009 1.00 0.00 C ATOM 0 H ILE A 49 9.417 13.204 -9.556 1.00 0.00 H new ATOM 0 HA ILE A 49 8.665 15.307 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 49 9.190 16.723 -9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.335 15.140 -11.642 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.968 14.142 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.564 16.095 -9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.934 16.008 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.180 14.516 -9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.360 15.681 -13.029 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.425 16.063 -11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.814 17.076 -12.023 1.00 0.00 H new ATOM 852 N ASP A 50 6.681 16.504 -9.172 1.00 0.00 N ATOM 853 CA ASP A 50 5.321 16.927 -9.459 1.00 0.00 C ATOM 854 C ASP A 50 5.285 18.449 -9.609 1.00 0.00 C ATOM 855 O ASP A 50 5.642 19.176 -8.683 1.00 0.00 O ATOM 856 CB ASP A 50 4.373 16.541 -8.322 1.00 0.00 C ATOM 857 CG ASP A 50 3.932 15.076 -8.316 1.00 0.00 C ATOM 858 OD1 ASP A 50 3.954 14.406 -7.273 1.00 0.00 O ATOM 859 OD2 ASP A 50 3.548 14.618 -9.459 1.00 0.00 O ATOM 0 H ASP A 50 7.337 17.266 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 50 5.002 16.435 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.860 16.762 -7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.486 17.172 -8.379 1.00 0.00 H new ATOM 865 N HIS A 51 4.851 18.886 -10.782 1.00 0.00 N ATOM 866 CA HIS A 51 4.764 20.308 -11.065 1.00 0.00 C ATOM 867 C HIS A 51 3.466 20.870 -10.480 1.00 0.00 C ATOM 868 O HIS A 51 3.488 21.564 -9.465 1.00 0.00 O ATOM 869 CB HIS A 51 4.901 20.573 -12.566 1.00 0.00 C ATOM 870 CG HIS A 51 4.150 19.591 -13.434 1.00 0.00 C ATOM 871 ND1 HIS A 51 4.567 18.285 -13.620 1.00 0.00 N ATOM 872 CD2 HIS A 51 3.006 19.739 -14.162 1.00 0.00 C ATOM 873 CE1 HIS A 51 3.706 17.683 -14.427 1.00 0.00 C ATOM 874 NE2 HIS A 51 2.739 18.585 -14.762 1.00 0.00 N ATOM 0 H HIS A 51 4.556 18.280 -11.547 1.00 0.00 H new ATOM 0 HA HIS A 51 5.593 20.829 -10.586 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.543 21.580 -12.781 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.957 20.546 -12.834 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.417 20.641 -14.238 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.760 16.657 -14.761 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.942 18.403 -15.373 1.00 0.00 H new ATOM 882 N ALA A 52 2.367 20.548 -11.145 1.00 0.00 N ATOM 883 CA ALA A 52 1.062 21.011 -10.704 1.00 0.00 C ATOM 884 C ALA A 52 -0.018 20.426 -11.617 1.00 0.00 C ATOM 885 O ALA A 52 0.291 19.845 -12.656 1.00 0.00 O ATOM 886 CB ALA A 52 1.043 22.541 -10.684 1.00 0.00 C ATOM 0 H ALA A 52 2.353 19.972 -11.986 1.00 0.00 H new ATOM 0 HA ALA A 52 0.856 20.669 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.064 22.888 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.808 22.905 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.243 22.920 -11.686 1.00 0.00 H new ATOM 892 N LYS A 53 -1.262 20.601 -11.195 1.00 0.00 N ATOM 893 CA LYS A 53 -2.389 20.097 -11.962 1.00 0.00 C ATOM 894 C LYS A 53 -3.638 20.911 -11.617 1.00 0.00 C ATOM 895 O LYS A 53 -4.288 20.658 -10.604 1.00 0.00 O ATOM 896 CB LYS A 53 -2.556 18.592 -11.744 1.00 0.00 C ATOM 897 CG LYS A 53 -3.255 18.305 -10.414 1.00 0.00 C ATOM 898 CD LYS A 53 -2.792 16.970 -9.828 1.00 0.00 C ATOM 899 CE LYS A 53 -3.780 15.851 -10.163 1.00 0.00 C ATOM 900 NZ LYS A 53 -4.662 15.575 -9.006 1.00 0.00 N ATOM 0 H LYS A 53 -1.514 21.084 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.210 20.222 -13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.135 18.164 -12.563 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.579 18.108 -11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.045 19.108 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.335 18.286 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.806 16.719 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.691 17.059 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.381 16.135 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.236 14.947 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.327 14.813 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.085 15.283 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.195 16.434 -8.763 1.00 0.00 H new ATOM 913 N VAL A 54 -3.936 21.871 -12.480 1.00 0.00 N ATOM 914 CA VAL A 54 -5.096 22.723 -12.279 1.00 0.00 C ATOM 915 C VAL A 54 -5.832 22.897 -13.610 1.00 0.00 C ATOM 916 O VAL A 54 -5.701 23.929 -14.265 1.00 0.00 O ATOM 917 CB VAL A 54 -4.667 24.053 -11.655 1.00 0.00 C ATOM 918 CG1 VAL A 54 -5.871 24.803 -11.082 1.00 0.00 C ATOM 919 CG2 VAL A 54 -3.595 23.836 -10.586 1.00 0.00 C ATOM 0 H VAL A 54 -3.395 22.078 -13.319 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.793 22.261 -11.580 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.233 24.669 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.539 25.744 -10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.586 25.006 -11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.347 24.194 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.308 24.797 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.990 23.193 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.722 23.364 -11.037 1.00 0.00 H new ATOM 929 N ARG A 55 -6.590 21.871 -13.969 1.00 0.00 N ATOM 930 CA ARG A 55 -7.346 21.897 -15.209 1.00 0.00 C ATOM 931 C ARG A 55 -8.621 21.061 -15.071 1.00 0.00 C ATOM 932 O ARG A 55 -8.997 20.675 -13.965 1.00 0.00 O ATOM 933 CB ARG A 55 -6.514 21.357 -16.373 1.00 0.00 C ATOM 934 CG ARG A 55 -6.058 22.490 -17.294 1.00 0.00 C ATOM 935 CD ARG A 55 -7.239 23.372 -17.703 1.00 0.00 C ATOM 936 NE ARG A 55 -7.178 23.658 -19.154 1.00 0.00 N ATOM 937 CZ ARG A 55 -7.581 22.796 -20.113 1.00 0.00 C ATOM 938 NH1 ARG A 55 -8.078 21.585 -19.781 1.00 0.00 N ATOM 939 NH2 ARG A 55 -7.481 23.155 -21.379 1.00 0.00 N ATOM 0 H ARG A 55 -6.697 21.016 -13.422 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.608 22.935 -15.416 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.644 20.825 -15.987 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.102 20.636 -16.941 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.306 23.095 -16.788 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.586 22.073 -18.183 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.177 22.873 -17.461 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.220 24.305 -17.139 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.809 24.562 -19.448 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.151 21.315 -18.800 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.380 20.940 -20.511 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.104 24.071 -21.621 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.781 22.516 -22.115 1.00 0.00 H new ATOM 952 N LYS A 56 -9.250 20.808 -16.209 1.00 0.00 N ATOM 953 CA LYS A 56 -10.474 20.025 -16.229 1.00 0.00 C ATOM 954 C LYS A 56 -10.320 18.872 -17.222 1.00 0.00 C ATOM 955 O LYS A 56 -9.282 18.737 -17.867 1.00 0.00 O ATOM 956 CB LYS A 56 -11.680 20.924 -16.511 1.00 0.00 C ATOM 957 CG LYS A 56 -11.577 21.558 -17.900 1.00 0.00 C ATOM 958 CD LYS A 56 -12.735 21.111 -18.794 1.00 0.00 C ATOM 959 CE LYS A 56 -12.470 21.474 -20.257 1.00 0.00 C ATOM 960 NZ LYS A 56 -13.208 22.702 -20.628 1.00 0.00 N ATOM 0 H LYS A 56 -8.935 21.131 -17.124 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.659 19.581 -15.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.598 20.340 -16.441 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.741 21.706 -15.754 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.581 22.644 -17.809 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.629 21.281 -18.361 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.875 20.034 -18.702 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.660 21.582 -18.460 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.402 21.624 -20.413 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.774 20.651 -20.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.017 22.934 -21.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.228 22.547 -20.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.898 23.489 -20.023 1.00 0.00 H new ATOM 973 N HIS A 57 -11.370 18.068 -17.313 1.00 0.00 N ATOM 974 CA HIS A 57 -11.365 16.930 -18.217 1.00 0.00 C ATOM 975 C HIS A 57 -12.734 16.248 -18.190 1.00 0.00 C ATOM 976 O HIS A 57 -12.828 15.044 -17.956 1.00 0.00 O ATOM 977 CB HIS A 57 -10.220 15.974 -17.880 1.00 0.00 C ATOM 978 CG HIS A 57 -9.663 15.237 -19.074 1.00 0.00 C ATOM 979 ND1 HIS A 57 -8.974 14.042 -18.964 1.00 0.00 N ATOM 980 CD2 HIS A 57 -9.700 15.539 -20.404 1.00 0.00 C ATOM 981 CE1 HIS A 57 -8.617 13.651 -20.178 1.00 0.00 C ATOM 982 NE2 HIS A 57 -9.068 14.580 -21.070 1.00 0.00 N ATOM 0 H HIS A 57 -12.229 18.182 -16.776 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.188 17.271 -19.237 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.416 16.539 -17.407 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.571 15.246 -17.148 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.165 16.411 -20.841 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.066 12.754 -20.420 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.941 14.544 -22.081 1.00 0.00 H new ATOM 990 N GLN A 58 -13.763 17.047 -18.433 1.00 0.00 N ATOM 991 CA GLN A 58 -15.123 16.535 -18.441 1.00 0.00 C ATOM 992 C GLN A 58 -15.483 16.004 -19.830 1.00 0.00 C ATOM 993 O GLN A 58 -14.660 16.037 -20.743 1.00 0.00 O ATOM 994 CB GLN A 58 -16.115 17.609 -17.990 1.00 0.00 C ATOM 995 CG GLN A 58 -16.151 18.773 -18.982 1.00 0.00 C ATOM 996 CD GLN A 58 -17.492 19.507 -18.917 1.00 0.00 C ATOM 997 OE1 GLN A 58 -18.542 18.919 -18.716 1.00 0.00 O ATOM 998 NE2 GLN A 58 -17.398 20.822 -19.098 1.00 0.00 N ATOM 0 H GLN A 58 -13.682 18.045 -18.626 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.184 15.710 -17.732 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -17.110 17.174 -17.898 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -15.835 17.976 -17.003 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.341 19.468 -18.762 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.985 18.400 -19.993 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.487 21.250 -19.262 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -18.237 21.402 -19.073 1.00 0.00 H new ATOM 1007 N ARG A 59 -16.713 15.526 -19.945 1.00 0.00 N ATOM 1008 CA ARG A 59 -17.192 14.989 -21.207 1.00 0.00 C ATOM 1009 C ARG A 59 -18.648 15.400 -21.441 1.00 0.00 C ATOM 1010 O ARG A 59 -19.508 15.159 -20.595 1.00 0.00 O ATOM 1011 CB ARG A 59 -17.091 13.463 -21.229 1.00 0.00 C ATOM 1012 CG ARG A 59 -18.081 12.833 -20.247 1.00 0.00 C ATOM 1013 CD ARG A 59 -17.512 11.547 -19.644 1.00 0.00 C ATOM 1014 NE ARG A 59 -18.040 10.370 -20.369 1.00 0.00 N ATOM 1015 CZ ARG A 59 -17.507 9.882 -21.509 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -16.424 10.466 -22.065 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -18.061 8.825 -22.073 1.00 0.00 N ATOM 0 H ARG A 59 -17.392 15.499 -19.185 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.564 15.395 -22.000 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.289 13.096 -22.236 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.076 13.159 -20.973 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.310 13.542 -19.451 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.018 12.615 -20.759 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.424 11.560 -19.700 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.776 11.483 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.858 9.898 -19.983 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.002 11.283 -21.623 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.028 10.090 -22.927 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.879 8.390 -21.647 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.671 8.443 -22.935 1.00 0.00 H new ATOM 1030 N LYS A 60 -18.878 16.014 -22.592 1.00 0.00 N ATOM 1031 CA LYS A 60 -20.214 16.461 -22.947 1.00 0.00 C ATOM 1032 C LYS A 60 -21.227 15.378 -22.569 1.00 0.00 C ATOM 1033 O LYS A 60 -20.866 14.212 -22.418 1.00 0.00 O ATOM 1034 CB LYS A 60 -20.269 16.866 -24.422 1.00 0.00 C ATOM 1035 CG LYS A 60 -19.342 18.051 -24.700 1.00 0.00 C ATOM 1036 CD LYS A 60 -19.662 19.227 -23.774 1.00 0.00 C ATOM 1037 CE LYS A 60 -19.566 20.557 -24.524 1.00 0.00 C ATOM 1038 NZ LYS A 60 -20.875 20.914 -25.115 1.00 0.00 N ATOM 0 H LYS A 60 -18.162 16.212 -23.291 1.00 0.00 H new ATOM 0 HA LYS A 60 -20.478 17.356 -22.384 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.981 16.020 -25.046 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -21.292 17.128 -24.693 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.305 17.746 -24.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.446 18.363 -25.739 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.665 19.109 -23.363 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.970 19.230 -22.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.242 21.343 -23.842 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.813 20.485 -25.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.792 21.819 -25.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.169 20.171 -25.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -21.584 21.003 -24.360 1.00 0.00 H new ATOM 1051 N PHE A 61 -22.474 15.803 -22.427 1.00 0.00 N ATOM 1052 CA PHE A 61 -23.541 14.885 -22.069 1.00 0.00 C ATOM 1053 C PHE A 61 -24.912 15.498 -22.359 1.00 0.00 C ATOM 1054 O PHE A 61 -25.139 16.676 -22.087 1.00 0.00 O ATOM 1055 CB PHE A 61 -23.420 14.622 -20.567 1.00 0.00 C ATOM 1056 CG PHE A 61 -24.444 13.622 -20.026 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -24.444 12.339 -20.475 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -25.354 14.017 -19.095 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -25.395 11.411 -19.973 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -26.304 13.089 -18.593 1.00 0.00 C ATOM 1061 CZ PHE A 61 -26.305 11.806 -19.042 1.00 0.00 C ATOM 0 H PHE A 61 -22.769 16.771 -22.554 1.00 0.00 H new ATOM 0 HA PHE A 61 -23.453 13.967 -22.651 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -22.417 14.252 -20.353 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -23.532 15.566 -20.033 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -23.721 12.025 -21.213 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -25.354 15.036 -18.738 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.396 10.392 -20.330 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -27.026 13.403 -17.854 1.00 0.00 H new ATOM 0 HZ PHE A 61 -27.028 11.100 -18.660 1.00 0.00 H new ATOM 1071 N LEU A 62 -25.791 14.671 -22.907 1.00 0.00 N ATOM 1072 CA LEU A 62 -27.134 15.118 -23.236 1.00 0.00 C ATOM 1073 C LEU A 62 -28.066 13.906 -23.309 1.00 0.00 C ATOM 1074 O LEU A 62 -27.606 12.771 -23.416 1.00 0.00 O ATOM 1075 CB LEU A 62 -27.120 15.961 -24.512 1.00 0.00 C ATOM 1076 CG LEU A 62 -27.153 15.184 -25.830 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -28.434 15.484 -26.611 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -25.898 15.460 -26.661 1.00 0.00 C ATOM 0 H LEU A 62 -25.599 13.695 -23.131 1.00 0.00 H new ATOM 0 HA LEU A 62 -27.521 15.772 -22.454 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -27.977 16.634 -24.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -26.225 16.584 -24.503 1.00 0.00 H new ATOM 0 HG LEU A 62 -27.158 14.119 -25.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -28.432 14.919 -27.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -29.300 15.197 -26.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -28.484 16.550 -26.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -25.947 14.896 -27.592 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -25.837 16.525 -26.885 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -25.015 15.156 -26.099 1.00 0.00 H new ATOM 1090 N GLN A 63 -29.359 14.190 -23.250 1.00 0.00 N ATOM 1091 CA GLN A 63 -30.359 13.138 -23.308 1.00 0.00 C ATOM 1092 C GLN A 63 -31.493 13.536 -24.255 1.00 0.00 C ATOM 1093 O GLN A 63 -32.382 14.299 -23.879 1.00 0.00 O ATOM 1094 CB GLN A 63 -30.898 12.815 -21.913 1.00 0.00 C ATOM 1095 CG GLN A 63 -30.120 11.661 -21.279 1.00 0.00 C ATOM 1096 CD GLN A 63 -31.071 10.629 -20.669 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -32.169 10.938 -20.237 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -30.589 9.389 -20.658 1.00 0.00 N ATOM 0 H GLN A 63 -29.737 15.133 -23.163 1.00 0.00 H new ATOM 0 HA GLN A 63 -29.886 12.236 -23.696 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -30.827 13.698 -21.278 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -31.954 12.554 -21.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -29.493 11.183 -22.032 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.453 12.047 -20.508 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.661 9.199 -21.036 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -31.148 8.628 -20.271 1.00 0.00 H new ATOM 1107 N ALA A 64 -31.425 13.002 -25.466 1.00 0.00 N ATOM 1108 CA ALA A 64 -32.435 13.291 -26.469 1.00 0.00 C ATOM 1109 C ALA A 64 -32.103 12.532 -27.755 1.00 0.00 C ATOM 1110 O ALA A 64 -31.321 13.007 -28.577 1.00 0.00 O ATOM 1111 CB ALA A 64 -32.517 14.803 -26.690 1.00 0.00 C ATOM 0 H ALA A 64 -30.686 12.371 -25.775 1.00 0.00 H new ATOM 0 HA ALA A 64 -33.416 12.956 -26.132 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -33.275 15.020 -27.443 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -32.784 15.294 -25.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -31.550 15.174 -27.031 1.00 0.00 H new ATOM 1117 N ILE A 65 -32.715 11.364 -27.889 1.00 0.00 N ATOM 1118 CA ILE A 65 -32.494 10.534 -29.061 1.00 0.00 C ATOM 1119 C ILE A 65 -33.627 10.762 -30.064 1.00 0.00 C ATOM 1120 O ILE A 65 -33.712 11.824 -30.679 1.00 0.00 O ATOM 1121 CB ILE A 65 -32.319 9.069 -28.655 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -31.152 8.908 -27.678 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -32.163 8.174 -29.886 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -31.642 8.399 -26.320 1.00 0.00 C ATOM 0 H ILE A 65 -33.363 10.973 -27.205 1.00 0.00 H new ATOM 0 HA ILE A 65 -31.566 10.817 -29.558 1.00 0.00 H new ATOM 0 HB ILE A 65 -33.222 8.747 -28.136 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -30.421 8.212 -28.090 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -30.645 9.864 -27.551 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -32.040 7.138 -29.570 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -33.051 8.259 -30.513 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -31.287 8.486 -30.454 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -30.794 8.293 -25.644 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -32.354 9.110 -25.900 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -32.127 7.431 -26.448 1.00 0.00 H new ATOM 1136 N HIS A 66 -34.470 9.748 -30.197 1.00 0.00 N ATOM 1137 CA HIS A 66 -35.594 9.825 -31.114 1.00 0.00 C ATOM 1138 C HIS A 66 -36.858 9.314 -30.420 1.00 0.00 C ATOM 1139 O HIS A 66 -37.586 8.491 -30.974 1.00 0.00 O ATOM 1140 CB HIS A 66 -35.288 9.077 -32.413 1.00 0.00 C ATOM 1141 CG HIS A 66 -35.568 7.595 -32.349 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -34.656 6.680 -31.852 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -36.667 6.879 -32.724 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -35.192 5.471 -31.930 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -36.438 5.596 -32.471 1.00 0.00 N ATOM 0 H HIS A 66 -34.397 8.869 -29.685 1.00 0.00 H new ATOM 0 HA HIS A 66 -35.769 10.864 -31.394 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -35.878 9.513 -33.219 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -34.239 9.227 -32.668 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -37.570 7.287 -33.154 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -34.724 4.548 -31.620 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -37.087 4.830 -32.651 1.00 0.00 H new ATOM 1153 N GLN A 67 -37.082 9.823 -29.218 1.00 0.00 N ATOM 1154 CA GLN A 67 -38.245 9.429 -28.442 1.00 0.00 C ATOM 1155 C GLN A 67 -38.946 10.664 -27.871 1.00 0.00 C ATOM 1156 O GLN A 67 -38.396 11.352 -27.013 1.00 0.00 O ATOM 1157 CB GLN A 67 -37.858 8.454 -27.328 1.00 0.00 C ATOM 1158 CG GLN A 67 -36.927 9.123 -26.314 1.00 0.00 C ATOM 1159 CD GLN A 67 -37.686 9.500 -25.040 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -38.034 8.458 -24.290 1.00 0.00 O flip ATOM 1161 NE2 GLN A 67 -37.938 10.659 -24.757 1.00 0.00 N flip ATOM 0 H GLN A 67 -36.477 10.506 -28.762 1.00 0.00 H new ATOM 0 HA GLN A 67 -38.941 8.914 -29.104 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -38.756 8.098 -26.823 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -37.367 7.581 -27.758 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -36.107 8.449 -26.067 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -36.484 10.016 -26.755 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -37.641 11.412 -25.378 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -38.446 10.876 -23.899 1.00 0.00 H new ATOM 1170 N LEU A 68 -40.149 10.906 -28.370 1.00 0.00 N ATOM 1171 CA LEU A 68 -40.930 12.045 -27.920 1.00 0.00 C ATOM 1172 C LEU A 68 -42.393 11.845 -28.321 1.00 0.00 C ATOM 1173 O LEU A 68 -42.901 12.544 -29.197 1.00 0.00 O ATOM 1174 CB LEU A 68 -40.323 13.350 -28.439 1.00 0.00 C ATOM 1175 CG LEU A 68 -40.143 13.450 -29.955 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -41.026 14.554 -30.540 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -38.670 13.640 -30.321 1.00 0.00 C ATOM 0 H LEU A 68 -40.602 10.333 -29.082 1.00 0.00 H new ATOM 0 HA LEU A 68 -40.904 12.119 -26.833 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -40.955 14.176 -28.113 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -39.350 13.488 -27.968 1.00 0.00 H new ATOM 0 HG LEU A 68 -40.466 12.509 -30.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -40.879 14.604 -31.619 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -42.072 14.335 -30.326 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -40.757 15.511 -30.092 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -38.570 13.708 -31.404 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -38.297 14.556 -29.864 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -38.092 12.791 -29.956 1.00 0.00 H new ATOM 1189 N ARG A 69 -43.029 10.889 -27.661 1.00 0.00 N ATOM 1190 CA ARG A 69 -44.423 10.588 -27.938 1.00 0.00 C ATOM 1191 C ARG A 69 -44.996 9.676 -26.851 1.00 0.00 C ATOM 1192 O ARG A 69 -44.251 8.975 -26.169 1.00 0.00 O ATOM 1193 CB ARG A 69 -44.581 9.908 -29.300 1.00 0.00 C ATOM 1194 CG ARG A 69 -45.041 10.908 -30.362 1.00 0.00 C ATOM 1195 CD ARG A 69 -46.359 10.464 -30.999 1.00 0.00 C ATOM 1196 NE ARG A 69 -47.149 11.648 -31.405 1.00 0.00 N ATOM 1197 CZ ARG A 69 -48.004 12.304 -30.592 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -48.187 11.896 -29.318 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -48.658 13.350 -31.061 1.00 0.00 N ATOM 0 H ARG A 69 -42.604 10.312 -26.935 1.00 0.00 H new ATOM 0 HA ARG A 69 -44.969 11.531 -27.951 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -43.632 9.463 -29.601 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -45.304 9.096 -29.223 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -45.165 11.892 -29.910 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -44.275 11.004 -31.132 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -46.159 9.835 -31.866 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -46.929 9.861 -30.292 1.00 0.00 H new ATOM 0 HE ARG A 69 -47.040 11.990 -32.360 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -47.677 11.087 -28.963 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -48.835 12.397 -28.710 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -48.514 13.652 -32.025 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -49.308 13.857 -30.460 1.00 0.00 H new ATOM 1212 N SER A 70 -46.314 9.716 -26.724 1.00 0.00 N ATOM 1213 CA SER A 70 -46.995 8.902 -25.732 1.00 0.00 C ATOM 1214 C SER A 70 -47.462 7.589 -26.363 1.00 0.00 C ATOM 1215 O SER A 70 -48.519 7.538 -26.991 1.00 0.00 O ATOM 1216 CB SER A 70 -48.184 9.651 -25.126 1.00 0.00 C ATOM 1217 OG SER A 70 -47.768 10.747 -24.316 1.00 0.00 O ATOM 0 H SER A 70 -46.928 10.300 -27.292 1.00 0.00 H new ATOM 0 HA SER A 70 -46.291 8.682 -24.929 1.00 0.00 H new ATOM 0 HB2 SER A 70 -48.829 10.016 -25.926 1.00 0.00 H new ATOM 0 HB3 SER A 70 -48.779 8.962 -24.526 1.00 0.00 H new ATOM 0 HG SER A 70 -48.556 11.200 -23.949 1.00 0.00 H new ATOM 1223 N VAL A 71 -46.651 6.558 -26.175 1.00 0.00 N ATOM 1224 CA VAL A 71 -46.967 5.248 -26.718 1.00 0.00 C ATOM 1225 C VAL A 71 -48.160 4.661 -25.961 1.00 0.00 C ATOM 1226 O VAL A 71 -48.034 3.635 -25.296 1.00 0.00 O ATOM 1227 CB VAL A 71 -45.730 4.349 -26.672 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -44.734 4.731 -27.769 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -45.070 4.396 -25.292 1.00 0.00 C ATOM 0 H VAL A 71 -45.775 6.604 -25.654 1.00 0.00 H new ATOM 0 HA VAL A 71 -47.254 5.329 -27.766 1.00 0.00 H new ATOM 0 HB VAL A 71 -46.053 3.324 -26.855 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -43.864 4.077 -27.714 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -45.208 4.623 -28.745 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -44.419 5.765 -27.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -44.193 3.748 -25.286 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -44.767 5.419 -25.068 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -45.779 4.054 -24.538 1.00 0.00 H new ATOM 1239 N LYS A 72 -49.292 5.339 -26.088 1.00 0.00 N ATOM 1240 CA LYS A 72 -50.507 4.898 -25.425 1.00 0.00 C ATOM 1241 C LYS A 72 -51.720 5.484 -26.149 1.00 0.00 C ATOM 1242 O LYS A 72 -52.485 6.252 -25.566 1.00 0.00 O ATOM 1243 CB LYS A 72 -50.457 5.238 -23.934 1.00 0.00 C ATOM 1244 CG LYS A 72 -49.763 4.129 -23.141 1.00 0.00 C ATOM 1245 CD LYS A 72 -50.380 3.982 -21.749 1.00 0.00 C ATOM 1246 CE LYS A 72 -49.969 5.143 -20.841 1.00 0.00 C ATOM 1247 NZ LYS A 72 -50.974 6.227 -20.900 1.00 0.00 N ATOM 0 H LYS A 72 -49.393 6.191 -26.640 1.00 0.00 H new ATOM 0 HA LYS A 72 -50.598 3.813 -25.478 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -49.927 6.179 -23.790 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -51.469 5.381 -23.556 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -49.845 3.185 -23.680 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -48.700 4.353 -23.050 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -51.466 3.947 -21.831 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -50.063 3.038 -21.305 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -49.865 4.791 -19.815 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -48.995 5.525 -21.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -50.867 6.845 -20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -50.833 6.784 -21.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -51.929 5.815 -20.904 1.00 0.00 H new ATOM 1260 N MET A 73 -51.859 5.100 -27.409 1.00 0.00 N ATOM 1261 CA MET A 73 -52.967 5.578 -28.219 1.00 0.00 C ATOM 1262 C MET A 73 -53.739 4.410 -28.836 1.00 0.00 C ATOM 1263 O MET A 73 -53.141 3.437 -29.290 1.00 0.00 O ATOM 1264 CB MET A 73 -52.433 6.482 -29.332 1.00 0.00 C ATOM 1265 CG MET A 73 -51.473 5.717 -30.246 1.00 0.00 C ATOM 1266 SD MET A 73 -51.053 6.717 -31.664 1.00 0.00 S ATOM 1267 CE MET A 73 -51.025 5.461 -32.932 1.00 0.00 C ATOM 0 H MET A 73 -51.223 4.463 -27.889 1.00 0.00 H new ATOM 0 HA MET A 73 -53.646 6.139 -27.577 1.00 0.00 H new ATOM 0 HB2 MET A 73 -53.265 6.873 -29.918 1.00 0.00 H new ATOM 0 HB3 MET A 73 -51.920 7.339 -28.895 1.00 0.00 H new ATOM 0 HG2 MET A 73 -50.569 5.452 -29.697 1.00 0.00 H new ATOM 0 HG3 MET A 73 -51.934 4.784 -30.572 1.00 0.00 H new ATOM 0 HE1 MET A 73 -50.777 5.917 -33.890 1.00 0.00 H new ATOM 0 HE2 MET A 73 -50.276 4.709 -32.683 1.00 0.00 H new ATOM 0 HE3 MET A 73 -52.005 4.989 -32.998 1.00 0.00 H new ATOM 1277 N GLU A 74 -55.057 4.547 -28.832 1.00 0.00 N ATOM 1278 CA GLU A 74 -55.918 3.515 -29.386 1.00 0.00 C ATOM 1279 C GLU A 74 -57.339 4.052 -29.571 1.00 0.00 C ATOM 1280 O GLU A 74 -57.644 5.167 -29.152 1.00 0.00 O ATOM 1281 CB GLU A 74 -55.915 2.266 -28.502 1.00 0.00 C ATOM 1282 CG GLU A 74 -56.552 2.556 -27.141 1.00 0.00 C ATOM 1283 CD GLU A 74 -55.482 2.748 -26.064 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -55.406 3.822 -25.450 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -54.712 1.730 -25.873 1.00 0.00 O ATOM 0 H GLU A 74 -55.550 5.356 -28.454 1.00 0.00 H new ATOM 0 HA GLU A 74 -55.528 3.230 -30.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -56.460 1.463 -28.999 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -54.892 1.918 -28.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -57.170 3.451 -27.208 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -57.211 1.734 -26.861 1.00 0.00 H new ATOM 1293 N GLN A 75 -58.169 3.233 -30.200 1.00 0.00 N ATOM 1294 CA GLN A 75 -59.550 3.612 -30.446 1.00 0.00 C ATOM 1295 C GLN A 75 -60.501 2.607 -29.791 1.00 0.00 C ATOM 1296 O GLN A 75 -60.413 1.407 -30.046 1.00 0.00 O ATOM 1297 CB GLN A 75 -59.827 3.731 -31.946 1.00 0.00 C ATOM 1298 CG GLN A 75 -59.702 5.183 -32.413 1.00 0.00 C ATOM 1299 CD GLN A 75 -61.029 5.927 -32.249 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -62.010 5.398 -31.752 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -61.005 7.180 -32.693 1.00 0.00 N ATOM 0 H GLN A 75 -57.912 2.309 -30.547 1.00 0.00 H new ATOM 0 HA GLN A 75 -59.723 4.591 -29.999 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -59.127 3.106 -32.500 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -60.828 3.360 -32.165 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -58.925 5.688 -31.839 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -59.394 5.208 -33.458 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -60.150 7.561 -33.098 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -61.841 7.760 -32.628 1.00 0.00 H new ATOM 1310 N ARG A 76 -61.388 3.135 -28.961 1.00 0.00 N ATOM 1311 CA ARG A 76 -62.354 2.300 -28.268 1.00 0.00 C ATOM 1312 C ARG A 76 -63.652 2.210 -29.073 1.00 0.00 C ATOM 1313 O ARG A 76 -63.836 2.943 -30.043 1.00 0.00 O ATOM 1314 CB ARG A 76 -62.662 2.855 -26.875 1.00 0.00 C ATOM 1315 CG ARG A 76 -61.432 2.775 -25.969 1.00 0.00 C ATOM 1316 CD ARG A 76 -61.803 2.229 -24.588 1.00 0.00 C ATOM 1317 NE ARG A 76 -60.892 2.784 -23.563 1.00 0.00 N ATOM 1318 CZ ARG A 76 -60.785 2.303 -22.306 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -61.533 1.252 -21.908 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -59.938 2.876 -21.472 1.00 0.00 N ATOM 0 H ARG A 76 -61.458 4.131 -28.753 1.00 0.00 H new ATOM 0 HA ARG A 76 -61.919 1.306 -28.163 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -62.991 3.891 -26.957 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -63.483 2.294 -26.429 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -60.679 2.134 -26.427 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -60.987 3.765 -25.865 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -62.834 2.490 -24.350 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -61.742 1.141 -24.590 1.00 0.00 H new ATOM 0 HE ARG A 76 -60.308 3.579 -23.822 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -62.185 0.815 -22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -61.446 0.895 -20.956 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -59.377 3.670 -21.781 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -59.845 2.525 -20.519 1.00 0.00 H new ATOM 1333 N LYS A 77 -64.518 1.306 -28.639 1.00 0.00 N ATOM 1334 CA LYS A 77 -65.793 1.111 -29.307 1.00 0.00 C ATOM 1335 C LYS A 77 -66.918 1.153 -28.271 1.00 0.00 C ATOM 1336 O LYS A 77 -66.665 1.075 -27.070 1.00 0.00 O ATOM 1337 CB LYS A 77 -65.771 -0.173 -30.139 1.00 0.00 C ATOM 1338 CG LYS A 77 -65.652 -1.406 -29.242 1.00 0.00 C ATOM 1339 CD LYS A 77 -65.688 -2.692 -30.069 1.00 0.00 C ATOM 1340 CE LYS A 77 -64.318 -2.989 -30.682 1.00 0.00 C ATOM 1341 NZ LYS A 77 -64.308 -2.645 -32.121 1.00 0.00 N ATOM 0 H LYS A 77 -64.362 0.701 -27.833 1.00 0.00 H new ATOM 0 HA LYS A 77 -65.980 1.919 -30.014 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -66.681 -0.239 -30.736 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -64.934 -0.144 -30.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -64.722 -1.360 -28.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -66.466 -1.413 -28.517 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -65.996 -3.526 -29.438 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -66.432 -2.599 -30.860 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -63.549 -2.419 -30.161 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -64.076 -4.044 -30.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -63.325 -2.558 -32.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -64.789 -3.393 -32.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -64.803 -1.742 -32.265 1.00 0.00 H new ATOM 1354 N LEU A 78 -68.138 1.277 -28.774 1.00 0.00 N ATOM 1355 CA LEU A 78 -69.303 1.331 -27.907 1.00 0.00 C ATOM 1356 C LEU A 78 -70.547 0.941 -28.708 1.00 0.00 C ATOM 1357 O LEU A 78 -70.458 0.654 -29.900 1.00 0.00 O ATOM 1358 CB LEU A 78 -69.408 2.702 -27.236 1.00 0.00 C ATOM 1359 CG LEU A 78 -70.095 3.798 -28.053 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -71.496 4.089 -27.512 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -69.231 5.059 -28.114 1.00 0.00 C ATOM 0 H LEU A 78 -68.345 1.342 -29.771 1.00 0.00 H new ATOM 0 HA LEU A 78 -69.208 0.611 -27.094 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -69.948 2.584 -26.297 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -68.402 3.040 -26.985 1.00 0.00 H new ATOM 0 HG LEU A 78 -70.213 3.439 -29.075 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -71.962 4.872 -28.111 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -72.101 3.184 -27.564 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -71.425 4.419 -26.476 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -69.742 5.822 -28.700 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -69.059 5.432 -27.104 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -68.275 4.823 -28.581 1.00 0.00 H new ATOM 1373 N ASN A 79 -71.679 0.944 -28.020 1.00 0.00 N ATOM 1374 CA ASN A 79 -72.940 0.595 -28.651 1.00 0.00 C ATOM 1375 C ASN A 79 -72.739 -0.640 -29.532 1.00 0.00 C ATOM 1376 O ASN A 79 -73.087 -0.628 -30.712 1.00 0.00 O ATOM 1377 CB ASN A 79 -73.445 1.733 -29.540 1.00 0.00 C ATOM 1378 CG ASN A 79 -74.974 1.784 -29.550 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -75.618 2.067 -28.553 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -75.518 1.495 -30.729 1.00 0.00 N ATOM 0 H ASN A 79 -71.749 1.183 -27.031 1.00 0.00 H new ATOM 0 HA ASN A 79 -73.669 0.402 -27.864 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -73.048 2.683 -29.181 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -73.076 1.597 -30.556 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -76.532 1.502 -30.838 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -74.921 1.266 -31.524 1.00 0.00 H new ATOM 1387 N ASP A 80 -72.178 -1.676 -28.925 1.00 0.00 N ATOM 1388 CA ASP A 80 -71.927 -2.916 -29.640 1.00 0.00 C ATOM 1389 C ASP A 80 -72.983 -3.950 -29.246 1.00 0.00 C ATOM 1390 O ASP A 80 -72.849 -4.619 -28.222 1.00 0.00 O ATOM 1391 CB ASP A 80 -70.551 -3.486 -29.287 1.00 0.00 C ATOM 1392 CG ASP A 80 -69.893 -4.317 -30.390 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -70.457 -5.318 -30.857 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -68.737 -3.895 -30.774 1.00 0.00 O ATOM 0 H ASP A 80 -71.890 -1.682 -27.946 1.00 0.00 H new ATOM 0 HA ASP A 80 -71.966 -2.703 -30.708 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -69.887 -2.660 -29.030 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -70.649 -4.106 -28.396 1.00 0.00 H new ATOM 1400 N GLN A 81 -74.008 -4.048 -30.079 1.00 0.00 N ATOM 1401 CA GLN A 81 -75.087 -4.990 -29.830 1.00 0.00 C ATOM 1402 C GLN A 81 -75.723 -5.429 -31.150 1.00 0.00 C ATOM 1403 O GLN A 81 -75.415 -4.878 -32.206 1.00 0.00 O ATOM 1404 CB GLN A 81 -76.133 -4.389 -28.890 1.00 0.00 C ATOM 1405 CG GLN A 81 -76.194 -5.160 -27.570 1.00 0.00 C ATOM 1406 CD GLN A 81 -77.324 -6.192 -27.589 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -78.461 -5.899 -27.921 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -76.949 -7.412 -27.216 1.00 0.00 N ATOM 0 H GLN A 81 -74.115 -3.491 -30.927 1.00 0.00 H new ATOM 0 HA GLN A 81 -74.670 -5.870 -29.340 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -75.893 -3.344 -28.694 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -77.111 -4.406 -29.371 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -75.242 -5.661 -27.393 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -76.346 -4.464 -26.745 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -75.980 -7.589 -26.950 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -77.630 -8.171 -27.196 1.00 0.00 H new ATOM 1417 N ALA A 82 -76.599 -6.418 -31.048 1.00 0.00 N ATOM 1418 CA ALA A 82 -77.281 -6.938 -32.221 1.00 0.00 C ATOM 1419 C ALA A 82 -76.249 -7.517 -33.191 1.00 0.00 C ATOM 1420 O ALA A 82 -75.613 -6.777 -33.940 1.00 0.00 O ATOM 1421 CB ALA A 82 -78.121 -5.829 -32.856 1.00 0.00 C ATOM 0 H ALA A 82 -76.852 -6.873 -30.171 1.00 0.00 H new ATOM 0 HA ALA A 82 -77.961 -7.744 -31.944 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -78.633 -6.219 -33.736 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -78.858 -5.473 -32.136 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -77.472 -5.004 -33.149 1.00 0.00 H new ATOM 1427 N ASN A 83 -76.114 -8.834 -33.145 1.00 0.00 N ATOM 1428 CA ASN A 83 -75.171 -9.520 -34.011 1.00 0.00 C ATOM 1429 C ASN A 83 -75.921 -10.126 -35.199 1.00 0.00 C ATOM 1430 O ASN A 83 -75.323 -10.419 -36.232 1.00 0.00 O ATOM 1431 CB ASN A 83 -74.467 -10.657 -33.267 1.00 0.00 C ATOM 1432 CG ASN A 83 -73.366 -10.116 -32.353 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -72.933 -8.980 -32.465 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -72.939 -10.988 -31.445 1.00 0.00 N ATOM 0 H ASN A 83 -76.642 -9.444 -32.521 1.00 0.00 H new ATOM 0 HA ASN A 83 -74.430 -8.793 -34.345 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -75.194 -11.214 -32.676 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -74.038 -11.355 -33.985 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -72.206 -10.722 -30.788 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -73.344 -11.923 -31.406 1.00 0.00 H new ATOM 1441 N THR A 84 -77.222 -10.295 -35.011 1.00 0.00 N ATOM 1442 CA THR A 84 -78.061 -10.860 -36.054 1.00 0.00 C ATOM 1443 C THR A 84 -79.307 -9.997 -36.263 1.00 0.00 C ATOM 1444 O THR A 84 -79.207 -8.778 -36.391 1.00 0.00 O ATOM 1445 CB THR A 84 -78.382 -12.306 -35.671 1.00 0.00 C ATOM 1446 OG1 THR A 84 -79.138 -12.188 -34.469 1.00 0.00 O ATOM 1447 CG2 THR A 84 -77.137 -13.091 -35.252 1.00 0.00 C ATOM 0 H THR A 84 -77.715 -10.051 -34.152 1.00 0.00 H new ATOM 0 HA THR A 84 -77.545 -10.869 -37.014 1.00 0.00 H new ATOM 0 HB THR A 84 -78.861 -12.806 -36.513 1.00 0.00 H new ATOM 0 HG1 THR A 84 -79.389 -13.080 -34.152 1.00 0.00 H new ATOM 0 HG21 THR A 84 -77.421 -14.110 -34.990 1.00 0.00 H new ATOM 0 HG22 THR A 84 -76.426 -13.113 -36.078 1.00 0.00 H new ATOM 0 HG23 THR A 84 -76.677 -12.610 -34.389 1.00 0.00 H new ATOM 1455 N LEU A 85 -80.452 -10.663 -36.290 1.00 0.00 N ATOM 1456 CA LEU A 85 -81.716 -9.972 -36.481 1.00 0.00 C ATOM 1457 C LEU A 85 -82.680 -10.361 -35.358 1.00 0.00 C ATOM 1458 O LEU A 85 -82.646 -9.776 -34.277 1.00 0.00 O ATOM 1459 CB LEU A 85 -82.266 -10.239 -37.884 1.00 0.00 C ATOM 1460 CG LEU A 85 -82.096 -11.665 -38.410 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -83.382 -12.162 -39.074 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -80.892 -11.763 -39.349 1.00 0.00 C ATOM 0 H LEU A 85 -80.531 -11.674 -36.183 1.00 0.00 H new ATOM 0 HA LEU A 85 -81.573 -8.893 -36.420 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -83.328 -9.995 -37.889 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -81.779 -9.556 -38.580 1.00 0.00 H new ATOM 0 HG LEU A 85 -81.898 -12.320 -37.562 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -83.234 -13.178 -39.439 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -84.194 -12.153 -38.347 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -83.636 -11.510 -39.910 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -80.794 -12.787 -39.709 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -81.036 -11.093 -40.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -79.987 -11.479 -38.812 1.00 0.00 H new ATOM 1474 N VAL A 86 -83.516 -11.345 -35.654 1.00 0.00 N ATOM 1475 CA VAL A 86 -84.487 -11.819 -34.683 1.00 0.00 C ATOM 1476 C VAL A 86 -84.528 -13.348 -34.713 1.00 0.00 C ATOM 1477 O VAL A 86 -85.546 -13.938 -35.074 1.00 0.00 O ATOM 1478 CB VAL A 86 -85.850 -11.178 -34.951 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -86.917 -11.744 -34.011 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -85.772 -9.655 -34.838 1.00 0.00 C ATOM 0 H VAL A 86 -83.541 -11.827 -36.553 1.00 0.00 H new ATOM 0 HA VAL A 86 -84.196 -11.522 -33.675 1.00 0.00 H new ATOM 0 HB VAL A 86 -86.140 -11.423 -35.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -87.876 -11.271 -34.223 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -87.001 -12.820 -34.162 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -86.634 -11.544 -32.977 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -86.754 -9.225 -35.033 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -85.449 -9.381 -33.834 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -85.057 -9.272 -35.566 1.00 0.00 H new ATOM 1490 N ASP A 87 -83.410 -13.946 -34.330 1.00 0.00 N ATOM 1491 CA ASP A 87 -83.306 -15.395 -34.309 1.00 0.00 C ATOM 1492 C ASP A 87 -84.284 -15.958 -33.276 1.00 0.00 C ATOM 1493 O ASP A 87 -83.998 -15.959 -32.080 1.00 0.00 O ATOM 1494 CB ASP A 87 -81.896 -15.840 -33.916 1.00 0.00 C ATOM 1495 CG ASP A 87 -81.200 -16.752 -34.928 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -81.143 -16.448 -36.129 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -80.695 -17.831 -34.432 1.00 0.00 O ATOM 0 H ASP A 87 -82.568 -13.454 -34.032 1.00 0.00 H new ATOM 0 HA ASP A 87 -83.536 -15.764 -35.309 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -81.280 -14.953 -33.765 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -81.949 -16.358 -32.959 1.00 0.00 H new ATOM 1503 N LEU A 88 -85.420 -16.423 -33.776 1.00 0.00 N ATOM 1504 CA LEU A 88 -86.443 -16.987 -32.911 1.00 0.00 C ATOM 1505 C LEU A 88 -87.143 -18.135 -33.639 1.00 0.00 C ATOM 1506 O LEU A 88 -88.243 -18.537 -33.261 1.00 0.00 O ATOM 1507 CB LEU A 88 -87.397 -15.893 -32.425 1.00 0.00 C ATOM 1508 CG LEU A 88 -88.677 -15.708 -33.243 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -89.892 -16.249 -32.489 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -88.860 -14.245 -33.651 1.00 0.00 C ATOM 0 H LEU A 88 -85.654 -16.421 -34.769 1.00 0.00 H new ATOM 0 HA LEU A 88 -85.993 -17.407 -32.012 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -87.676 -16.113 -31.395 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -86.857 -14.946 -32.413 1.00 0.00 H new ATOM 0 HG LEU A 88 -88.583 -16.289 -34.161 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -90.788 -16.105 -33.092 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -89.754 -17.312 -32.292 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -90.001 -15.716 -31.544 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -89.777 -14.141 -34.231 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -88.923 -13.623 -32.758 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -88.010 -13.927 -34.255 1.00 0.00 H new ATOM 1522 N ALA A 89 -86.478 -18.632 -34.672 1.00 0.00 N ATOM 1523 CA ALA A 89 -87.023 -19.727 -35.457 1.00 0.00 C ATOM 1524 C ALA A 89 -88.228 -19.225 -36.256 1.00 0.00 C ATOM 1525 O ALA A 89 -89.354 -19.667 -36.031 1.00 0.00 O ATOM 1526 CB ALA A 89 -87.382 -20.890 -34.530 1.00 0.00 C ATOM 0 H ALA A 89 -85.567 -18.296 -34.984 1.00 0.00 H new ATOM 0 HA ALA A 89 -86.284 -20.094 -36.170 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -87.791 -21.711 -35.118 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -86.487 -21.228 -34.007 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -88.124 -20.560 -33.803 1.00 0.00 H new ATOM 1532 N LYS A 90 -87.950 -18.309 -37.172 1.00 0.00 N ATOM 1533 CA LYS A 90 -88.997 -17.743 -38.006 1.00 0.00 C ATOM 1534 C LYS A 90 -90.148 -17.267 -37.118 1.00 0.00 C ATOM 1535 O LYS A 90 -90.081 -17.380 -35.895 1.00 0.00 O ATOM 1536 CB LYS A 90 -89.423 -18.742 -39.083 1.00 0.00 C ATOM 1537 CG LYS A 90 -89.711 -18.032 -40.407 1.00 0.00 C ATOM 1538 CD LYS A 90 -88.532 -18.171 -41.372 1.00 0.00 C ATOM 1539 CE LYS A 90 -88.647 -19.456 -42.195 1.00 0.00 C ATOM 1540 NZ LYS A 90 -87.319 -19.863 -42.707 1.00 0.00 N ATOM 0 H LYS A 90 -87.015 -17.945 -37.355 1.00 0.00 H new ATOM 0 HA LYS A 90 -88.626 -16.870 -38.543 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -88.637 -19.483 -39.227 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -90.312 -19.280 -38.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -90.609 -18.452 -40.861 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -89.911 -16.977 -40.222 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -88.499 -17.309 -42.039 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -87.597 -18.176 -40.812 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -89.066 -20.253 -41.580 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -89.333 -19.302 -43.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -87.414 -20.737 -43.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -86.933 -19.109 -43.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -86.675 -20.030 -41.908 1.00 0.00 H new ATOM 1553 N THR A 91 -91.178 -16.745 -37.768 1.00 0.00 N ATOM 1554 CA THR A 91 -92.342 -16.252 -37.053 1.00 0.00 C ATOM 1555 C THR A 91 -93.582 -17.069 -37.424 1.00 0.00 C ATOM 1556 O THR A 91 -94.510 -16.549 -38.041 1.00 0.00 O ATOM 1557 CB THR A 91 -92.485 -14.759 -37.356 1.00 0.00 C ATOM 1558 OG1 THR A 91 -93.648 -14.368 -36.631 1.00 0.00 O ATOM 1559 CG2 THR A 91 -92.849 -14.490 -38.817 1.00 0.00 C ATOM 0 H THR A 91 -91.230 -16.653 -38.782 1.00 0.00 H new ATOM 0 HA THR A 91 -92.224 -16.370 -35.976 1.00 0.00 H new ATOM 0 HB THR A 91 -91.552 -14.249 -37.115 1.00 0.00 H new ATOM 0 HG1 THR A 91 -93.814 -13.412 -36.770 1.00 0.00 H new ATOM 0 HG21 THR A 91 -92.938 -13.416 -38.978 1.00 0.00 H new ATOM 0 HG22 THR A 91 -92.070 -14.891 -39.466 1.00 0.00 H new ATOM 0 HG23 THR A 91 -93.799 -14.972 -39.050 1.00 0.00 H new ATOM 1567 N GLN A 92 -93.556 -18.334 -37.032 1.00 0.00 N ATOM 1568 CA GLN A 92 -94.666 -19.228 -37.316 1.00 0.00 C ATOM 1569 C GLN A 92 -95.805 -18.992 -36.322 1.00 0.00 C ATOM 1570 O GLN A 92 -96.922 -18.665 -36.718 1.00 0.00 O ATOM 1571 CB GLN A 92 -94.213 -20.689 -37.294 1.00 0.00 C ATOM 1572 CG GLN A 92 -94.504 -21.373 -38.631 1.00 0.00 C ATOM 1573 CD GLN A 92 -93.375 -22.334 -39.012 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -92.200 -22.032 -38.886 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -93.797 -23.503 -39.485 1.00 0.00 N ATOM 0 H GLN A 92 -92.784 -18.761 -36.520 1.00 0.00 H new ATOM 0 HA GLN A 92 -95.034 -19.011 -38.319 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -93.145 -20.739 -37.080 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -94.724 -21.220 -36.491 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -95.445 -21.919 -38.567 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -94.624 -20.620 -39.410 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -94.797 -23.690 -39.564 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -93.121 -24.212 -39.769 1.00 0.00 H new TER 1584 GLN A 92