USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 THR OG1 : rot -78:sc= 0.526 USER MOD Set 2.2: A 18 THR OG1 : rot -57:sc= 2.46 USER MOD Set 2.3: A 20 THR OG1 : rot 85:sc= 1.07 USER MOD Set 2.4: A 67 ASN : amide:sc= -0.373 K(o=3.7,f=-4.9!) USER MOD Set 3.1: A 37 THR OG1 : rot -56:sc= 0.816 USER MOD Set 3.2: A 40 THR OG1 : rot 77:sc= 2.23 USER MOD Set 3.3: A 41 ASN : amide:sc= -2.13! C(o=0.91!,f=-2.6!) USER MOD Set 4.1: A 23 GLN : amide:sc= -1.29 K(o=-9.1,f=-20!) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -3.68! K(o=-9.1!,f=-10) USER MOD Set 4.3: A 33 HIS : no HD1:sc= -4.14! C(o=-9.1!,f=-14!) USER MOD Set 5.1: A 28 GLN : amide:sc= -1.02 K(o=-1,f=-9.3!) USER MOD Set 5.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 2 MET CE :methyl 151:sc= 0 (180deg=-0.721) USER MOD Set 6.2: A 79 GLN : amide:sc= -0.71 K(o=-0.71,f=-12!) USER MOD Single : A 5 ASN : amide:sc= -0.858 K(o=-0.86,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -148:sc= -0.331 USER MOD Single : A -3 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.69) USER MOD Single : A -4 SER N :NH3+ 128:sc= 0.111 (180deg=0.000808) USER MOD Single : A -4 SER OG : rot 180:sc= 0.026 USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0241) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0942 (180deg=-0.548) USER MOD Single : A 49 ASN : amide:sc= 0.535 K(o=0.54,f=-4.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.369 K(o=0.37,f=-11!) USER MOD Single : A 64 TYR OH : rot 125:sc= -0.467! USER MOD Single : A 65 THR OG1 : rot -92:sc= -0.283! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00587 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 3.504 37.867 -0.258 1.00 0.00 N ATOM 2 CA SER A -4 3.965 36.553 -0.739 1.00 0.00 C ATOM 3 C SER A -4 2.773 35.721 -1.217 1.00 0.00 C ATOM 4 O SER A -4 1.677 36.250 -1.397 1.00 0.00 O ATOM 5 CB SER A -4 4.697 35.835 0.395 1.00 0.00 C ATOM 6 OG SER A -4 5.664 36.684 0.992 1.00 0.00 O ATOM 0 H1 SER A -4 3.882 38.040 0.695 1.00 0.00 H new ATOM 0 H2 SER A -4 3.840 38.610 -0.903 1.00 0.00 H new ATOM 0 H3 SER A -4 2.465 37.880 -0.226 1.00 0.00 H new ATOM 0 HA SER A -4 4.646 36.688 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A -4 3.979 35.509 1.148 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.183 34.939 0.009 1.00 0.00 H new ATOM 0 HG SER A -4 6.118 36.204 1.716 1.00 0.00 H new ATOM 14 N ASN A -3 2.989 34.425 -1.422 1.00 0.00 N ATOM 15 CA ASN A -3 1.913 33.519 -1.815 1.00 0.00 C ATOM 16 C ASN A -3 1.296 32.904 -0.566 1.00 0.00 C ATOM 17 O ASN A -3 0.317 32.163 -0.636 1.00 0.00 O ATOM 18 CB ASN A -3 2.457 32.411 -2.725 1.00 0.00 C ATOM 19 CG ASN A -3 1.373 31.453 -3.191 1.00 0.00 C ATOM 20 OD1 ASN A -3 0.242 31.855 -3.452 1.00 0.00 O ATOM 21 ND2 ASN A -3 1.705 30.174 -3.269 1.00 0.00 N ATOM 0 H ASN A -3 3.900 33.978 -1.323 1.00 0.00 H new ATOM 0 HA ASN A -3 1.155 34.078 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A -3 2.936 32.862 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A -3 3.226 31.852 -2.191 1.00 0.00 H new ATOM 0 HD21 ASN A -3 1.011 29.483 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN A -3 2.655 29.879 -3.044 1.00 0.00 H new ATOM 28 N ALA A -2 1.903 33.244 0.572 1.00 0.00 N ATOM 29 CA ALA A -2 1.578 32.675 1.875 1.00 0.00 C ATOM 30 C ALA A -2 2.204 31.297 2.002 1.00 0.00 C ATOM 31 O ALA A -2 2.016 30.589 2.993 1.00 0.00 O ATOM 32 CB ALA A -2 0.081 32.645 2.119 1.00 0.00 C ATOM 0 H ALA A -2 2.650 33.938 0.611 1.00 0.00 H new ATOM 0 HA ALA A -2 1.998 33.316 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A -2 -0.119 32.214 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A -2 -0.314 33.660 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.401 32.039 1.352 1.00 0.00 H new ATOM 38 N ASP A -1 2.983 30.942 0.985 1.00 0.00 N ATOM 39 CA ASP A -1 3.786 29.734 1.008 1.00 0.00 C ATOM 40 C ASP A -1 5.060 30.006 1.792 1.00 0.00 C ATOM 41 O ASP A -1 6.172 30.008 1.261 1.00 0.00 O ATOM 42 CB ASP A -1 4.107 29.275 -0.412 1.00 0.00 C ATOM 43 CG ASP A -1 4.955 28.019 -0.434 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.553 27.006 0.184 1.00 0.00 O ATOM 45 OD2 ASP A -1 6.027 28.044 -1.066 1.00 0.00 O ATOM 0 H ASP A -1 3.072 31.485 0.126 1.00 0.00 H new ATOM 0 HA ASP A -1 3.228 28.933 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.177 29.092 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A -1 4.630 30.073 -0.940 1.00 0.00 H new ATOM 50 N CYS A 1 4.862 30.293 3.058 1.00 0.00 N ATOM 51 CA CYS A 1 5.931 30.630 3.962 1.00 0.00 C ATOM 52 C CYS A 1 5.458 30.428 5.394 1.00 0.00 C ATOM 53 O CYS A 1 4.267 30.550 5.686 1.00 0.00 O ATOM 54 CB CYS A 1 6.381 32.077 3.727 1.00 0.00 C ATOM 55 SG CYS A 1 5.062 33.168 3.078 1.00 0.00 S ATOM 0 H CYS A 1 3.939 30.298 3.493 1.00 0.00 H new ATOM 0 HA CYS A 1 6.787 29.980 3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.751 32.489 4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.217 32.078 3.027 1.00 0.00 H new ATOM 60 N MET A 2 6.379 30.095 6.275 1.00 0.00 N ATOM 61 CA MET A 2 6.024 29.831 7.677 1.00 0.00 C ATOM 62 C MET A 2 6.243 31.036 8.574 1.00 0.00 C ATOM 63 O MET A 2 7.067 31.887 8.296 1.00 0.00 O ATOM 64 CB MET A 2 6.825 28.660 8.241 1.00 0.00 C ATOM 65 CG MET A 2 8.323 28.791 8.013 1.00 0.00 C ATOM 66 SD MET A 2 9.292 27.817 9.172 1.00 0.00 S ATOM 67 CE MET A 2 10.952 28.145 8.588 1.00 0.00 C ATOM 0 H MET A 2 7.371 29.998 6.060 1.00 0.00 H new ATOM 0 HA MET A 2 4.961 29.590 7.669 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.633 28.579 9.311 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.474 27.735 7.783 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.560 28.478 6.996 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.609 29.839 8.099 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.651 28.076 9.421 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.221 27.412 7.827 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.996 29.146 8.159 1.00 0.00 H new ATOM 77 N PHE A 3 5.495 31.080 9.663 1.00 0.00 N ATOM 78 CA PHE A 3 5.589 32.157 10.625 1.00 0.00 C ATOM 79 C PHE A 3 6.160 31.611 11.917 1.00 0.00 C ATOM 80 O PHE A 3 5.434 31.048 12.732 1.00 0.00 O ATOM 81 CB PHE A 3 4.204 32.760 10.876 1.00 0.00 C ATOM 82 CG PHE A 3 3.574 33.387 9.659 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.918 32.608 8.719 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.633 34.757 9.460 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.337 33.182 7.604 1.00 0.00 C ATOM 86 CE2 PHE A 3 3.052 35.338 8.348 1.00 0.00 C ATOM 87 CZ PHE A 3 2.404 34.549 7.420 1.00 0.00 C ATOM 0 H PHE A 3 4.805 30.368 9.903 1.00 0.00 H new ATOM 0 HA PHE A 3 6.241 32.940 10.237 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.543 31.979 11.252 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.285 33.514 11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.860 31.539 8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.139 35.379 10.183 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.832 32.563 6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.105 36.407 8.206 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.950 35.000 6.550 1.00 0.00 H new ATOM 97 N GLY A 4 7.460 31.743 12.096 1.00 0.00 N ATOM 98 CA GLY A 4 8.095 31.119 13.209 1.00 0.00 C ATOM 99 C GLY A 4 8.278 29.652 12.943 1.00 0.00 C ATOM 100 O GLY A 4 9.018 29.274 12.025 1.00 0.00 O ATOM 0 H GLY A 4 8.080 32.274 11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.062 31.586 13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.494 31.262 14.107 1.00 0.00 H new ATOM 104 N ASN A 5 7.520 28.853 13.688 1.00 0.00 N ATOM 105 CA ASN A 5 7.603 27.398 13.645 1.00 0.00 C ATOM 106 C ASN A 5 6.865 26.847 12.441 1.00 0.00 C ATOM 107 O ASN A 5 7.209 25.796 11.923 1.00 0.00 O ATOM 108 CB ASN A 5 6.979 26.793 14.904 1.00 0.00 C ATOM 109 CG ASN A 5 7.664 27.225 16.183 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.851 27.551 16.204 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.909 27.215 17.266 1.00 0.00 N ATOM 0 H ASN A 5 6.823 29.202 14.346 1.00 0.00 H new ATOM 0 HA ASN A 5 8.658 27.133 13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.927 27.076 14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.014 25.706 14.831 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.305 27.485 18.166 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.929 26.938 17.202 1.00 0.00 H new ATOM 118 N GLY A 6 5.829 27.547 12.006 1.00 0.00 N ATOM 119 CA GLY A 6 5.045 27.049 10.901 1.00 0.00 C ATOM 120 C GLY A 6 3.684 26.565 11.343 1.00 0.00 C ATOM 121 O GLY A 6 3.014 25.819 10.626 1.00 0.00 O ATOM 0 H GLY A 6 5.521 28.439 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.925 27.837 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.580 26.232 10.416 1.00 0.00 H new ATOM 125 N LYS A 7 3.278 26.989 12.527 1.00 0.00 N ATOM 126 CA LYS A 7 1.962 26.673 13.053 1.00 0.00 C ATOM 127 C LYS A 7 0.881 27.270 12.156 1.00 0.00 C ATOM 128 O LYS A 7 -0.113 26.620 11.831 1.00 0.00 O ATOM 129 CB LYS A 7 1.847 27.216 14.475 1.00 0.00 C ATOM 130 CG LYS A 7 2.603 26.395 15.501 1.00 0.00 C ATOM 131 CD LYS A 7 2.439 26.968 16.904 1.00 0.00 C ATOM 132 CE LYS A 7 0.973 27.134 17.277 1.00 0.00 C ATOM 133 NZ LYS A 7 0.810 27.730 18.629 1.00 0.00 N ATOM 0 H LYS A 7 3.850 27.560 13.149 1.00 0.00 H new ATOM 0 HA LYS A 7 1.824 25.592 13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.220 28.240 14.495 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.795 27.254 14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.243 25.366 15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.661 26.368 15.239 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.926 26.311 17.625 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.941 27.934 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.480 27.767 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.478 26.163 17.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.203 27.827 18.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.258 27.114 19.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.260 28.667 18.652 1.00 0.00 H new ATOM 147 N GLY A 8 1.104 28.510 11.750 1.00 0.00 N ATOM 148 CA GLY A 8 0.237 29.163 10.812 1.00 0.00 C ATOM 149 C GLY A 8 0.876 29.238 9.444 1.00 0.00 C ATOM 150 O GLY A 8 0.624 30.163 8.678 1.00 0.00 O ATOM 0 H GLY A 8 1.889 29.080 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.707 28.622 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.005 30.168 11.164 1.00 0.00 H new ATOM 154 N TYR A 9 1.746 28.280 9.163 1.00 0.00 N ATOM 155 CA TYR A 9 2.294 28.105 7.834 1.00 0.00 C ATOM 156 C TYR A 9 1.195 27.618 6.895 1.00 0.00 C ATOM 157 O TYR A 9 0.774 26.461 6.960 1.00 0.00 O ATOM 158 CB TYR A 9 3.444 27.098 7.893 1.00 0.00 C ATOM 159 CG TYR A 9 3.857 26.543 6.555 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.909 27.347 5.428 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.157 25.200 6.418 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.252 26.826 4.203 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.494 24.668 5.194 1.00 0.00 C ATOM 164 CZ TYR A 9 4.537 25.486 4.088 1.00 0.00 C ATOM 165 OH TYR A 9 4.847 24.968 2.858 1.00 0.00 O ATOM 0 H TYR A 9 2.088 27.607 9.849 1.00 0.00 H new ATOM 0 HA TYR A 9 2.678 29.053 7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.307 27.578 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.153 26.271 8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.677 28.398 5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.126 24.558 7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.297 27.467 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.723 23.617 5.102 1.00 0.00 H new ATOM 0 HH TYR A 9 4.537 24.040 2.806 1.00 0.00 H new ATOM 175 N ARG A 10 0.710 28.504 6.040 1.00 0.00 N ATOM 176 CA ARG A 10 -0.406 28.179 5.161 1.00 0.00 C ATOM 177 C ARG A 10 0.080 28.061 3.716 1.00 0.00 C ATOM 178 O ARG A 10 -0.569 28.538 2.787 1.00 0.00 O ATOM 179 CB ARG A 10 -1.497 29.258 5.262 1.00 0.00 C ATOM 180 CG ARG A 10 -1.588 29.943 6.626 1.00 0.00 C ATOM 181 CD ARG A 10 -2.284 29.097 7.695 1.00 0.00 C ATOM 182 NE ARG A 10 -1.655 27.800 7.896 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.888 27.017 8.943 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.777 27.366 9.865 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.217 25.887 9.075 1.00 0.00 N ATOM 0 H ARG A 10 1.070 29.453 5.935 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.828 27.223 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.312 30.016 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.461 28.804 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.582 30.188 6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.125 30.885 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.285 29.643 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.326 28.949 7.411 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.995 27.473 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.289 28.243 9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.948 26.757 10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.525 25.620 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.391 25.281 9.877 1.00 0.00 H new ATOM 199 N GLY A 11 1.227 27.412 3.544 1.00 0.00 N ATOM 200 CA GLY A 11 1.852 27.319 2.235 1.00 0.00 C ATOM 201 C GLY A 11 1.467 26.060 1.483 1.00 0.00 C ATOM 202 O GLY A 11 0.393 25.502 1.710 1.00 0.00 O ATOM 0 H GLY A 11 1.739 26.945 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.572 28.190 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.935 27.348 2.353 1.00 0.00 H new ATOM 206 N LYS A 12 2.345 25.600 0.596 1.00 0.00 N ATOM 207 CA LYS A 12 2.017 24.494 -0.289 1.00 0.00 C ATOM 208 C LYS A 12 3.254 23.669 -0.601 1.00 0.00 C ATOM 209 O LYS A 12 3.261 22.887 -1.555 1.00 0.00 O ATOM 210 CB LYS A 12 1.414 25.052 -1.578 1.00 0.00 C ATOM 211 CG LYS A 12 2.424 25.790 -2.445 1.00 0.00 C ATOM 212 CD LYS A 12 1.752 26.821 -3.329 1.00 0.00 C ATOM 213 CE LYS A 12 0.641 26.217 -4.180 1.00 0.00 C ATOM 214 NZ LYS A 12 1.130 25.126 -5.063 1.00 0.00 N ATOM 0 H LYS A 12 3.285 25.977 0.474 1.00 0.00 H new ATOM 0 HA LYS A 12 1.295 23.842 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.982 24.233 -2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.598 25.730 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.161 26.280 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.964 25.074 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.339 27.616 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.497 27.279 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.142 25.829 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.189 26.999 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.352 24.795 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.905 25.482 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.475 24.337 -4.481 1.00 0.00 H new ATOM 228 N ARG A 13 4.299 23.844 0.199 1.00 0.00 N ATOM 229 CA ARG A 13 5.488 23.030 0.054 1.00 0.00 C ATOM 230 C ARG A 13 5.123 21.602 0.415 1.00 0.00 C ATOM 231 O ARG A 13 4.382 21.373 1.363 1.00 0.00 O ATOM 232 CB ARG A 13 6.614 23.531 0.957 1.00 0.00 C ATOM 233 CG ARG A 13 7.014 24.980 0.718 1.00 0.00 C ATOM 234 CD ARG A 13 7.850 25.148 -0.540 1.00 0.00 C ATOM 235 NE ARG A 13 8.102 26.560 -0.820 1.00 0.00 N ATOM 236 CZ ARG A 13 9.242 27.051 -1.289 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.297 26.268 -1.461 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.321 28.345 -1.572 1.00 0.00 N ATOM 0 H ARG A 13 4.343 24.537 0.946 1.00 0.00 H new ATOM 0 HA ARG A 13 5.847 23.086 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.307 23.418 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.489 22.897 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.117 25.594 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.577 25.346 1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.798 24.623 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.335 24.693 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 13 7.344 27.218 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.238 25.276 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.168 26.658 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.512 28.949 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.191 28.736 -1.933 1.00 0.00 H new ATOM 252 N VAL A 14 5.614 20.651 -0.348 1.00 0.00 N ATOM 253 CA VAL A 14 5.169 19.266 -0.220 1.00 0.00 C ATOM 254 C VAL A 14 6.346 18.310 -0.322 1.00 0.00 C ATOM 255 O VAL A 14 6.231 17.196 -0.835 1.00 0.00 O ATOM 256 CB VAL A 14 4.131 18.938 -1.313 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.778 19.524 -0.954 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.591 19.491 -2.652 1.00 0.00 C ATOM 0 H VAL A 14 6.322 20.803 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 14 4.708 19.145 0.760 1.00 0.00 H new ATOM 0 HB VAL A 14 4.037 17.855 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.058 19.283 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.439 19.104 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.864 20.607 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.851 19.254 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.704 20.573 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.548 19.043 -2.921 1.00 0.00 H new ATOM 268 N THR A 15 7.485 18.770 0.152 1.00 0.00 N ATOM 269 CA THR A 15 8.729 18.073 0.015 1.00 0.00 C ATOM 270 C THR A 15 9.623 18.458 1.189 1.00 0.00 C ATOM 271 O THR A 15 9.694 19.633 1.563 1.00 0.00 O ATOM 272 CB THR A 15 9.368 18.473 -1.314 1.00 0.00 C ATOM 273 OG1 THR A 15 8.370 18.545 -2.343 1.00 0.00 O ATOM 274 CG2 THR A 15 10.395 17.470 -1.715 1.00 0.00 C ATOM 0 H THR A 15 7.564 19.656 0.651 1.00 0.00 H new ATOM 0 HA THR A 15 8.582 16.993 0.020 1.00 0.00 H new ATOM 0 HB THR A 15 9.836 19.449 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.791 18.804 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.843 17.767 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.169 17.416 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.925 16.493 -1.826 1.00 0.00 H new ATOM 282 N THR A 16 10.280 17.472 1.773 1.00 0.00 N ATOM 283 CA THR A 16 11.026 17.665 3.004 1.00 0.00 C ATOM 284 C THR A 16 12.320 18.442 2.784 1.00 0.00 C ATOM 285 O THR A 16 12.588 18.935 1.683 1.00 0.00 O ATOM 286 CB THR A 16 11.374 16.309 3.625 1.00 0.00 C ATOM 287 OG1 THR A 16 12.147 15.547 2.689 1.00 0.00 O ATOM 288 CG2 THR A 16 10.120 15.538 3.997 1.00 0.00 C ATOM 0 H THR A 16 10.312 16.519 1.410 1.00 0.00 H new ATOM 0 HA THR A 16 10.387 18.244 3.671 1.00 0.00 H new ATOM 0 HB THR A 16 11.949 16.481 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.554 15.168 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.399 14.580 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.540 16.113 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.519 15.367 3.104 1.00 0.00 H new ATOM 296 N VAL A 17 13.135 18.528 3.829 1.00 0.00 N ATOM 297 CA VAL A 17 14.429 19.177 3.738 1.00 0.00 C ATOM 298 C VAL A 17 15.374 18.357 2.880 1.00 0.00 C ATOM 299 O VAL A 17 16.376 18.856 2.368 1.00 0.00 O ATOM 300 CB VAL A 17 15.082 19.407 5.112 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.377 20.522 5.867 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.098 18.130 5.939 1.00 0.00 C ATOM 0 H VAL A 17 12.917 18.153 4.752 1.00 0.00 H new ATOM 0 HA VAL A 17 14.249 20.152 3.284 1.00 0.00 H new ATOM 0 HB VAL A 17 16.115 19.707 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.857 20.666 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.437 21.446 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.331 20.255 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.566 18.327 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.076 17.785 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.664 17.362 5.411 1.00 0.00 H new ATOM 312 N THR A 18 15.024 17.098 2.710 1.00 0.00 N ATOM 313 CA THR A 18 15.818 16.184 1.918 1.00 0.00 C ATOM 314 C THR A 18 15.311 16.197 0.493 1.00 0.00 C ATOM 315 O THR A 18 15.975 15.731 -0.434 1.00 0.00 O ATOM 316 CB THR A 18 15.702 14.750 2.463 1.00 0.00 C ATOM 317 OG1 THR A 18 14.375 14.256 2.227 1.00 0.00 O ATOM 318 CG2 THR A 18 15.987 14.719 3.955 1.00 0.00 C ATOM 0 H THR A 18 14.185 16.682 3.115 1.00 0.00 H new ATOM 0 HA THR A 18 16.860 16.501 1.962 1.00 0.00 H new ATOM 0 HB THR A 18 16.432 14.123 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.723 14.857 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.900 13.696 4.321 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.997 15.086 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.269 15.353 4.476 1.00 0.00 H new ATOM 326 N GLY A 19 14.125 16.761 0.325 1.00 0.00 N ATOM 327 CA GLY A 19 13.476 16.731 -0.954 1.00 0.00 C ATOM 328 C GLY A 19 12.702 15.451 -1.144 1.00 0.00 C ATOM 329 O GLY A 19 12.334 15.098 -2.267 1.00 0.00 O ATOM 0 H GLY A 19 13.604 17.239 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.802 17.583 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.220 16.830 -1.744 1.00 0.00 H new ATOM 333 N THR A 20 12.476 14.733 -0.053 1.00 0.00 N ATOM 334 CA THR A 20 11.554 13.624 -0.076 1.00 0.00 C ATOM 335 C THR A 20 10.125 14.154 -0.012 1.00 0.00 C ATOM 336 O THR A 20 9.776 14.885 0.910 1.00 0.00 O ATOM 337 CB THR A 20 11.816 12.655 1.089 1.00 0.00 C ATOM 338 OG1 THR A 20 13.145 12.120 0.981 1.00 0.00 O ATOM 339 CG2 THR A 20 10.801 11.523 1.087 1.00 0.00 C ATOM 0 H THR A 20 12.919 14.903 0.850 1.00 0.00 H new ATOM 0 HA THR A 20 11.699 13.071 -1.004 1.00 0.00 H new ATOM 0 HB THR A 20 11.718 13.202 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.782 12.740 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.005 10.850 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.797 11.934 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.872 10.972 0.149 1.00 0.00 H new ATOM 347 N PRO A 21 9.300 13.844 -1.018 1.00 0.00 N ATOM 348 CA PRO A 21 7.893 14.248 -1.042 1.00 0.00 C ATOM 349 C PRO A 21 7.151 13.923 0.243 1.00 0.00 C ATOM 350 O PRO A 21 7.221 12.800 0.753 1.00 0.00 O ATOM 351 CB PRO A 21 7.320 13.408 -2.166 1.00 0.00 C ATOM 352 CG PRO A 21 8.452 13.235 -3.104 1.00 0.00 C ATOM 353 CD PRO A 21 9.670 13.092 -2.232 1.00 0.00 C ATOM 0 HA PRO A 21 7.795 15.326 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.956 12.448 -1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.478 13.906 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.312 12.355 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.544 14.092 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.886 12.047 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.558 13.507 -2.708 1.00 0.00 H new ATOM 361 N CYS A 22 6.454 14.912 0.762 1.00 0.00 N ATOM 362 CA CYS A 22 5.580 14.695 1.902 1.00 0.00 C ATOM 363 C CYS A 22 4.397 13.815 1.522 1.00 0.00 C ATOM 364 O CYS A 22 3.849 13.921 0.425 1.00 0.00 O ATOM 365 CB CYS A 22 5.075 16.025 2.449 1.00 0.00 C ATOM 366 SG CYS A 22 6.410 17.130 2.988 1.00 0.00 S ATOM 0 H CYS A 22 6.473 15.871 0.416 1.00 0.00 H new ATOM 0 HA CYS A 22 6.159 14.188 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.485 16.526 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.408 15.835 3.290 1.00 0.00 H new ATOM 371 N GLN A 23 4.042 12.931 2.435 1.00 0.00 N ATOM 372 CA GLN A 23 2.870 12.086 2.314 1.00 0.00 C ATOM 373 C GLN A 23 1.635 12.911 2.551 1.00 0.00 C ATOM 374 O GLN A 23 1.707 14.010 3.106 1.00 0.00 O ATOM 375 CB GLN A 23 2.910 11.004 3.383 1.00 0.00 C ATOM 376 CG GLN A 23 1.904 9.879 3.211 1.00 0.00 C ATOM 377 CD GLN A 23 2.036 8.874 4.326 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.848 7.977 4.242 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.188 8.968 5.337 1.00 0.00 N ATOM 0 H GLN A 23 4.568 12.778 3.295 1.00 0.00 H new ATOM 0 HA GLN A 23 2.856 11.643 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.911 10.573 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.745 11.471 4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.893 10.287 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.061 9.388 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.520 9.738 5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.203 8.271 6.081 1.00 0.00 H new ATOM 388 N ASP A 24 0.504 12.354 2.195 1.00 0.00 N ATOM 389 CA ASP A 24 -0.743 13.008 2.453 1.00 0.00 C ATOM 390 C ASP A 24 -1.032 12.831 3.917 1.00 0.00 C ATOM 391 O ASP A 24 -0.990 11.711 4.434 1.00 0.00 O ATOM 392 CB ASP A 24 -1.877 12.399 1.625 1.00 0.00 C ATOM 393 CG ASP A 24 -1.760 12.679 0.140 1.00 0.00 C ATOM 394 OD1 ASP A 24 -0.839 12.134 -0.502 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.620 13.407 -0.399 1.00 0.00 O ATOM 0 H ASP A 24 0.427 11.451 1.727 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.676 14.061 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.893 11.321 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.829 12.788 1.986 1.00 0.00 H new ATOM 400 N TRP A 25 -1.267 13.931 4.593 1.00 0.00 N ATOM 401 CA TRP A 25 -1.688 13.893 5.981 1.00 0.00 C ATOM 402 C TRP A 25 -2.925 13.022 6.091 1.00 0.00 C ATOM 403 O TRP A 25 -3.181 12.391 7.112 1.00 0.00 O ATOM 404 CB TRP A 25 -1.994 15.299 6.476 1.00 0.00 C ATOM 405 CG TRP A 25 -0.902 16.273 6.180 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.747 16.996 5.043 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.185 16.634 7.033 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.372 17.774 5.136 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.958 17.578 6.350 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.573 16.251 8.307 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.102 18.147 6.903 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.704 16.811 8.864 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.457 17.753 8.164 1.00 0.00 C ATOM 0 H TRP A 25 -1.174 14.870 4.205 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.889 13.479 6.596 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.918 15.647 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.165 15.270 7.552 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.410 16.962 4.191 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.715 18.403 4.410 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.004 15.522 8.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.687 18.872 6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.011 16.516 9.857 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.336 18.179 8.625 1.00 0.00 H new ATOM 424 N ALA A 26 -3.677 13.007 5.005 1.00 0.00 N ATOM 425 CA ALA A 26 -4.860 12.180 4.884 1.00 0.00 C ATOM 426 C ALA A 26 -4.538 10.705 4.613 1.00 0.00 C ATOM 427 O ALA A 26 -5.364 9.842 4.901 1.00 0.00 O ATOM 428 CB ALA A 26 -5.766 12.724 3.791 1.00 0.00 C ATOM 0 H ALA A 26 -3.481 13.572 4.179 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.370 12.219 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.653 12.096 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.065 13.742 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.231 12.724 2.841 1.00 0.00 H new ATOM 434 N ALA A 27 -3.348 10.385 4.080 1.00 0.00 N ATOM 435 CA ALA A 27 -3.081 9.033 3.668 1.00 0.00 C ATOM 436 C ALA A 27 -2.271 8.353 4.737 1.00 0.00 C ATOM 437 O ALA A 27 -1.507 8.993 5.426 1.00 0.00 O ATOM 438 CB ALA A 27 -2.340 9.018 2.343 1.00 0.00 C ATOM 0 H ALA A 27 -2.581 11.042 3.934 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.021 8.499 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.146 7.987 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.947 9.507 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.394 9.549 2.449 1.00 0.00 H new ATOM 444 N GLN A 28 -2.433 7.066 4.861 1.00 0.00 N ATOM 445 CA GLN A 28 -1.711 6.274 5.821 1.00 0.00 C ATOM 446 C GLN A 28 -0.646 5.561 5.040 1.00 0.00 C ATOM 447 O GLN A 28 -0.262 4.432 5.344 1.00 0.00 O ATOM 448 CB GLN A 28 -2.645 5.246 6.464 1.00 0.00 C ATOM 449 CG GLN A 28 -3.871 5.849 7.117 1.00 0.00 C ATOM 450 CD GLN A 28 -3.499 6.787 8.231 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.326 6.369 9.367 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.369 8.063 7.913 1.00 0.00 N ATOM 0 H GLN A 28 -3.082 6.526 4.288 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.294 6.892 6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.965 4.535 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.088 4.683 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.456 6.385 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.505 5.053 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.523 8.367 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.115 8.744 8.629 1.00 0.00 H new ATOM 461 N GLU A 29 -0.183 6.234 4.006 1.00 0.00 N ATOM 462 CA GLU A 29 0.463 5.545 2.932 1.00 0.00 C ATOM 463 C GLU A 29 1.596 6.316 2.283 1.00 0.00 C ATOM 464 O GLU A 29 1.389 7.398 1.739 1.00 0.00 O ATOM 465 CB GLU A 29 -0.593 5.228 1.898 1.00 0.00 C ATOM 466 CG GLU A 29 -1.513 4.090 2.294 1.00 0.00 C ATOM 467 CD GLU A 29 -2.356 3.612 1.140 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.318 4.317 0.776 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.049 2.542 0.573 1.00 0.00 O ATOM 0 H GLU A 29 -0.246 7.246 3.896 1.00 0.00 H new ATOM 0 HA GLU A 29 0.926 4.649 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.191 6.121 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.103 4.977 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.918 3.260 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.163 4.416 3.106 1.00 0.00 H new ATOM 476 N PRO A 30 2.802 5.725 2.275 1.00 0.00 N ATOM 477 CA PRO A 30 3.050 4.394 2.839 1.00 0.00 C ATOM 478 C PRO A 30 3.408 4.422 4.329 1.00 0.00 C ATOM 479 O PRO A 30 4.177 3.591 4.807 1.00 0.00 O ATOM 480 CB PRO A 30 4.237 3.911 2.013 1.00 0.00 C ATOM 481 CG PRO A 30 5.008 5.151 1.695 1.00 0.00 C ATOM 482 CD PRO A 30 4.021 6.294 1.674 1.00 0.00 C ATOM 0 HA PRO A 30 2.167 3.756 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.845 3.199 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.908 3.406 1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.783 5.325 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.509 5.057 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.387 7.147 2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.839 6.645 0.658 1.00 0.00 H new ATOM 490 N HIS A 31 2.856 5.387 5.052 1.00 0.00 N ATOM 491 CA HIS A 31 3.103 5.526 6.478 1.00 0.00 C ATOM 492 C HIS A 31 1.782 5.679 7.203 1.00 0.00 C ATOM 493 O HIS A 31 1.058 6.673 7.017 1.00 0.00 O ATOM 494 CB HIS A 31 4.027 6.720 6.767 1.00 0.00 C ATOM 495 CG HIS A 31 5.395 6.554 6.187 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.642 6.614 4.839 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.589 6.303 6.773 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.921 6.404 4.616 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.527 6.215 5.773 1.00 0.00 N ATOM 0 H HIS A 31 2.227 6.092 4.667 1.00 0.00 H new ATOM 0 HA HIS A 31 3.608 4.630 6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.576 7.627 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.110 6.856 7.845 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.771 6.192 7.832 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.397 6.389 3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.522 6.034 5.903 1.00 0.00 H new ATOM 508 N ARG A 32 1.464 4.679 8.005 1.00 0.00 N ATOM 509 CA ARG A 32 0.194 4.624 8.700 1.00 0.00 C ATOM 510 C ARG A 32 0.213 5.629 9.840 1.00 0.00 C ATOM 511 O ARG A 32 0.988 5.481 10.785 1.00 0.00 O ATOM 512 CB ARG A 32 -0.039 3.216 9.268 1.00 0.00 C ATOM 513 CG ARG A 32 0.178 2.091 8.265 1.00 0.00 C ATOM 514 CD ARG A 32 -0.908 2.061 7.203 1.00 0.00 C ATOM 515 NE ARG A 32 -2.225 1.785 7.775 1.00 0.00 N ATOM 516 CZ ARG A 32 -3.357 1.773 7.070 1.00 0.00 C ATOM 517 NH1 ARG A 32 -3.327 1.968 5.758 1.00 0.00 N ATOM 518 NH2 ARG A 32 -4.514 1.545 7.674 1.00 0.00 N ATOM 0 H ARG A 32 2.077 3.886 8.191 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.609 4.861 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.628 3.064 10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.058 3.155 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.150 2.213 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.199 1.136 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.932 3.018 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.668 1.300 6.461 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.281 1.590 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.437 2.128 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.194 1.958 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.540 1.378 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.379 1.536 7.133 1.00 0.00 H new ATOM 532 N HIS A 33 -0.608 6.661 9.757 1.00 0.00 N ATOM 533 CA HIS A 33 -0.593 7.685 10.793 1.00 0.00 C ATOM 534 C HIS A 33 -1.982 8.286 10.994 1.00 0.00 C ATOM 535 O HIS A 33 -2.411 9.193 10.284 1.00 0.00 O ATOM 536 CB HIS A 33 0.436 8.781 10.466 1.00 0.00 C ATOM 537 CG HIS A 33 0.044 9.626 9.302 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.173 10.970 9.391 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.247 9.288 8.048 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.590 11.434 8.240 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.640 10.434 7.397 1.00 0.00 N ATOM 0 H HIS A 33 -1.279 6.813 9.004 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.296 7.209 11.728 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.569 9.418 11.341 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.400 8.316 10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.186 8.298 7.621 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.847 12.460 8.024 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.924 10.495 6.419 1.00 0.00 H new ATOM 550 N SER A 34 -2.700 7.750 11.939 1.00 0.00 N ATOM 551 CA SER A 34 -3.973 8.328 12.349 1.00 0.00 C ATOM 552 C SER A 34 -3.734 9.520 13.287 1.00 0.00 C ATOM 553 O SER A 34 -4.493 9.763 14.223 1.00 0.00 O ATOM 554 CB SER A 34 -4.833 7.260 13.023 1.00 0.00 C ATOM 555 OG SER A 34 -4.967 6.125 12.177 1.00 0.00 O ATOM 0 H SER A 34 -2.434 6.908 12.450 1.00 0.00 H new ATOM 0 HA SER A 34 -4.505 8.692 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.381 6.964 13.970 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.817 7.668 13.253 1.00 0.00 H new ATOM 0 HG SER A 34 -5.519 5.448 12.622 1.00 0.00 H new ATOM 561 N ILE A 35 -2.662 10.257 13.001 1.00 0.00 N ATOM 562 CA ILE A 35 -2.228 11.381 13.791 1.00 0.00 C ATOM 563 C ILE A 35 -1.722 12.438 12.841 1.00 0.00 C ATOM 564 O ILE A 35 -1.156 12.111 11.788 1.00 0.00 O ATOM 565 CB ILE A 35 -1.109 11.014 14.794 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.046 10.319 14.067 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.652 10.139 15.915 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.215 9.969 14.965 1.00 0.00 C ATOM 0 H ILE A 35 -2.066 10.076 12.193 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.073 11.734 14.382 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.731 11.932 15.243 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.327 9.407 13.601 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.399 10.966 13.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.847 9.894 16.608 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.438 10.675 16.447 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.061 9.220 15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.992 9.480 14.377 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.616 10.879 15.411 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.879 9.296 15.754 1.00 0.00 H new ATOM 580 N PHE A 36 -1.928 13.685 13.206 1.00 0.00 N ATOM 581 CA PHE A 36 -1.626 14.802 12.353 1.00 0.00 C ATOM 582 C PHE A 36 -2.249 14.620 10.976 1.00 0.00 C ATOM 583 O PHE A 36 -1.607 14.779 9.940 1.00 0.00 O ATOM 584 CB PHE A 36 -0.121 15.041 12.291 1.00 0.00 C ATOM 585 CG PHE A 36 0.509 15.124 13.658 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.374 16.269 14.423 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.228 14.061 14.177 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.945 16.357 15.678 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.802 14.141 15.432 1.00 0.00 C ATOM 590 CZ PHE A 36 1.661 15.291 16.183 1.00 0.00 C ATOM 0 H PHE A 36 -2.314 13.949 14.113 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.072 15.700 12.780 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.348 14.235 11.727 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.074 15.966 11.748 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.186 17.106 14.033 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.342 13.159 13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.831 17.258 16.262 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.361 13.304 15.825 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.110 15.356 17.163 1.00 0.00 H new ATOM 600 N THR A 37 -3.511 14.237 11.004 1.00 0.00 N ATOM 601 CA THR A 37 -4.338 14.170 9.822 1.00 0.00 C ATOM 602 C THR A 37 -5.213 15.412 9.751 1.00 0.00 C ATOM 603 O THR A 37 -5.227 16.215 10.688 1.00 0.00 O ATOM 604 CB THR A 37 -5.267 12.942 9.863 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.250 13.119 10.898 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.480 11.664 10.113 1.00 0.00 C ATOM 0 H THR A 37 -3.993 13.961 11.859 1.00 0.00 H new ATOM 0 HA THR A 37 -3.681 14.099 8.956 1.00 0.00 H new ATOM 0 HB THR A 37 -5.760 12.851 8.895 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.799 13.285 11.752 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.163 10.815 10.137 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.752 11.522 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.960 11.738 11.068 1.00 0.00 H new ATOM 614 N PRO A 38 -5.968 15.592 8.664 1.00 0.00 N ATOM 615 CA PRO A 38 -6.978 16.644 8.591 1.00 0.00 C ATOM 616 C PRO A 38 -8.040 16.502 9.683 1.00 0.00 C ATOM 617 O PRO A 38 -8.684 17.480 10.061 1.00 0.00 O ATOM 618 CB PRO A 38 -7.623 16.441 7.224 1.00 0.00 C ATOM 619 CG PRO A 38 -6.630 15.669 6.427 1.00 0.00 C ATOM 620 CD PRO A 38 -5.871 14.824 7.409 1.00 0.00 C ATOM 0 HA PRO A 38 -6.535 17.630 8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.564 15.898 7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.849 17.397 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.127 15.048 5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.959 16.338 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.311 13.832 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.834 14.684 7.102 1.00 0.00 H new ATOM 628 N GLU A 39 -8.207 15.287 10.204 1.00 0.00 N ATOM 629 CA GLU A 39 -9.288 15.008 11.142 1.00 0.00 C ATOM 630 C GLU A 39 -8.832 15.190 12.579 1.00 0.00 C ATOM 631 O GLU A 39 -9.602 15.630 13.434 1.00 0.00 O ATOM 632 CB GLU A 39 -9.815 13.586 10.951 1.00 0.00 C ATOM 633 CG GLU A 39 -10.471 13.348 9.604 1.00 0.00 C ATOM 634 CD GLU A 39 -11.080 11.966 9.502 1.00 0.00 C ATOM 635 OE1 GLU A 39 -12.168 11.750 10.074 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.479 11.088 8.853 1.00 0.00 O ATOM 0 H GLU A 39 -7.611 14.487 9.993 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.088 15.719 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.990 12.884 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.536 13.368 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.245 14.098 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.732 13.477 8.814 1.00 0.00 H new ATOM 643 N THR A 40 -7.581 14.854 12.848 1.00 0.00 N ATOM 644 CA THR A 40 -7.056 14.934 14.196 1.00 0.00 C ATOM 645 C THR A 40 -6.547 16.334 14.486 1.00 0.00 C ATOM 646 O THR A 40 -6.389 16.725 15.645 1.00 0.00 O ATOM 647 CB THR A 40 -5.926 13.912 14.418 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.927 14.057 13.398 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.467 12.493 14.400 1.00 0.00 C ATOM 0 H THR A 40 -6.914 14.524 12.151 1.00 0.00 H new ATOM 0 HA THR A 40 -7.870 14.700 14.882 1.00 0.00 H new ATOM 0 HB THR A 40 -5.482 14.103 15.395 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.375 14.843 13.590 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.649 11.790 14.559 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.206 12.375 15.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.934 12.294 13.436 1.00 0.00 H new ATOM 657 N ASN A 41 -6.303 17.092 13.422 1.00 0.00 N ATOM 658 CA ASN A 41 -5.789 18.448 13.555 1.00 0.00 C ATOM 659 C ASN A 41 -6.492 19.384 12.578 1.00 0.00 C ATOM 660 O ASN A 41 -5.855 20.030 11.752 1.00 0.00 O ATOM 661 CB ASN A 41 -4.280 18.465 13.302 1.00 0.00 C ATOM 662 CG ASN A 41 -3.518 17.599 14.278 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.390 16.388 14.094 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.991 18.218 15.312 1.00 0.00 N ATOM 0 H ASN A 41 -6.453 16.790 12.459 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.984 18.794 14.570 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.082 18.123 12.286 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.915 19.490 13.370 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.451 17.693 16.000 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.122 19.223 15.426 1.00 0.00 H new ATOM 671 N PRO A 42 -7.822 19.508 12.685 1.00 0.00 N ATOM 672 CA PRO A 42 -8.622 20.283 11.733 1.00 0.00 C ATOM 673 C PRO A 42 -8.481 21.792 11.931 1.00 0.00 C ATOM 674 O PRO A 42 -9.316 22.570 11.478 1.00 0.00 O ATOM 675 CB PRO A 42 -10.052 19.832 12.027 1.00 0.00 C ATOM 676 CG PRO A 42 -10.041 19.415 13.457 1.00 0.00 C ATOM 677 CD PRO A 42 -8.651 18.920 13.752 1.00 0.00 C ATOM 0 HA PRO A 42 -8.307 20.110 10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.763 20.641 11.858 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.347 19.007 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.300 20.252 14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.777 18.632 13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.316 19.240 14.739 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.605 17.831 13.737 1.00 0.00 H new ATOM 685 N ARG A 43 -7.408 22.197 12.597 1.00 0.00 N ATOM 686 CA ARG A 43 -7.187 23.598 12.915 1.00 0.00 C ATOM 687 C ARG A 43 -5.860 24.097 12.350 1.00 0.00 C ATOM 688 O ARG A 43 -5.571 25.289 12.389 1.00 0.00 O ATOM 689 CB ARG A 43 -7.213 23.784 14.426 1.00 0.00 C ATOM 690 CG ARG A 43 -6.141 22.982 15.145 1.00 0.00 C ATOM 691 CD ARG A 43 -6.702 22.297 16.377 1.00 0.00 C ATOM 692 NE ARG A 43 -7.291 23.248 17.312 1.00 0.00 N ATOM 693 CZ ARG A 43 -8.009 22.900 18.380 1.00 0.00 C ATOM 694 NH1 ARG A 43 -8.248 21.621 18.639 1.00 0.00 N ATOM 695 NH2 ARG A 43 -8.499 23.840 19.175 1.00 0.00 N ATOM 0 H ARG A 43 -6.675 21.570 12.928 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.984 24.184 12.456 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.084 24.841 14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.192 23.492 14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.726 22.235 14.468 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.322 23.641 15.433 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.457 21.571 16.076 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.908 21.743 16.877 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.144 24.242 17.138 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.882 20.898 18.020 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.798 21.361 19.458 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.326 24.824 18.968 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.049 23.580 19.994 1.00 0.00 H new ATOM 709 N ALA A 44 -5.043 23.185 11.832 1.00 0.00 N ATOM 710 CA ALA A 44 -3.766 23.572 11.259 1.00 0.00 C ATOM 711 C ALA A 44 -3.818 23.485 9.743 1.00 0.00 C ATOM 712 O ALA A 44 -2.803 23.617 9.072 1.00 0.00 O ATOM 713 CB ALA A 44 -2.636 22.724 11.822 1.00 0.00 C ATOM 0 H ALA A 44 -5.242 22.185 11.799 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.566 24.608 11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.691 23.035 11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.587 22.854 12.903 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.819 21.675 11.591 1.00 0.00 H new ATOM 719 N GLY A 45 -5.015 23.247 9.224 1.00 0.00 N ATOM 720 CA GLY A 45 -5.240 23.286 7.793 1.00 0.00 C ATOM 721 C GLY A 45 -4.490 22.209 7.037 1.00 0.00 C ATOM 722 O GLY A 45 -3.960 22.461 5.960 1.00 0.00 O ATOM 0 H GLY A 45 -5.843 23.025 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.307 23.181 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.941 24.262 7.412 1.00 0.00 H new ATOM 726 N LEU A 46 -4.454 21.006 7.589 1.00 0.00 N ATOM 727 CA LEU A 46 -3.729 19.909 6.966 1.00 0.00 C ATOM 728 C LEU A 46 -4.515 19.337 5.794 1.00 0.00 C ATOM 729 O LEU A 46 -5.414 18.519 5.974 1.00 0.00 O ATOM 730 CB LEU A 46 -3.414 18.806 7.983 1.00 0.00 C ATOM 731 CG LEU A 46 -2.537 19.243 9.168 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.370 19.863 10.262 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.738 18.078 9.717 1.00 0.00 C ATOM 0 H LEU A 46 -4.917 20.765 8.465 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.786 20.307 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.353 18.413 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.916 17.987 7.465 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.840 19.994 8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.723 20.162 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.889 20.738 9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.100 19.137 10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.128 18.418 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.419 17.298 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.092 17.679 8.935 1.00 0.00 H new ATOM 745 N GLU A 47 -4.193 19.806 4.601 1.00 0.00 N ATOM 746 CA GLU A 47 -4.778 19.288 3.383 1.00 0.00 C ATOM 747 C GLU A 47 -3.705 18.687 2.491 1.00 0.00 C ATOM 748 O GLU A 47 -2.545 19.107 2.543 1.00 0.00 O ATOM 749 CB GLU A 47 -5.508 20.392 2.628 1.00 0.00 C ATOM 750 CG GLU A 47 -4.843 21.755 2.720 1.00 0.00 C ATOM 751 CD GLU A 47 -5.473 22.770 1.790 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.721 22.863 1.755 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.726 23.486 1.093 1.00 0.00 O ATOM 0 H GLU A 47 -3.518 20.557 4.453 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.492 18.511 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.586 20.108 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.525 20.469 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.906 22.118 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.784 21.656 2.481 1.00 0.00 H new ATOM 760 N LYS A 48 -4.105 17.711 1.676 1.00 0.00 N ATOM 761 CA LYS A 48 -3.204 17.049 0.739 1.00 0.00 C ATOM 762 C LYS A 48 -1.936 16.569 1.439 1.00 0.00 C ATOM 763 O LYS A 48 -1.991 15.720 2.332 1.00 0.00 O ATOM 764 CB LYS A 48 -2.844 17.982 -0.420 1.00 0.00 C ATOM 765 CG LYS A 48 -4.010 18.326 -1.331 1.00 0.00 C ATOM 766 CD LYS A 48 -4.521 17.105 -2.074 1.00 0.00 C ATOM 767 CE LYS A 48 -5.539 17.489 -3.134 1.00 0.00 C ATOM 768 NZ LYS A 48 -4.955 18.404 -4.154 1.00 0.00 N ATOM 0 H LYS A 48 -5.062 17.359 1.648 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.725 16.179 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.431 18.905 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.058 17.517 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.818 18.757 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.699 19.085 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.685 16.585 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.974 16.410 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.912 16.589 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.394 17.971 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.526 18.365 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.951 19.377 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.980 18.110 -4.367 1.00 0.00 H new ATOM 782 N ASN A 49 -0.804 17.144 1.055 1.00 0.00 N ATOM 783 CA ASN A 49 0.469 16.803 1.650 1.00 0.00 C ATOM 784 C ASN A 49 1.301 18.058 1.852 1.00 0.00 C ATOM 785 O ASN A 49 2.518 17.993 2.011 1.00 0.00 O ATOM 786 CB ASN A 49 1.213 15.785 0.778 1.00 0.00 C ATOM 787 CG ASN A 49 1.570 16.287 -0.613 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.866 17.110 -1.204 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.669 15.775 -1.152 1.00 0.00 N ATOM 0 H ASN A 49 -0.748 17.855 0.326 1.00 0.00 H new ATOM 0 HA ASN A 49 0.294 16.346 2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.129 15.488 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.598 14.890 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.958 16.060 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.224 15.097 -0.631 1.00 0.00 H new ATOM 796 N TYR A 50 0.624 19.206 1.857 1.00 0.00 N ATOM 797 CA TYR A 50 1.294 20.493 2.069 1.00 0.00 C ATOM 798 C TYR A 50 1.842 20.555 3.488 1.00 0.00 C ATOM 799 O TYR A 50 1.111 20.300 4.442 1.00 0.00 O ATOM 800 CB TYR A 50 0.329 21.665 1.862 1.00 0.00 C ATOM 801 CG TYR A 50 -0.495 21.600 0.594 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.096 21.697 -0.658 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.874 21.451 0.656 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.664 21.646 -1.811 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.640 21.402 -0.491 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.033 21.499 -1.721 1.00 0.00 C ATOM 807 OH TYR A 50 -2.795 21.455 -2.865 1.00 0.00 O ATOM 0 H TYR A 50 -0.384 19.273 1.717 1.00 0.00 H new ATOM 0 HA TYR A 50 2.103 20.573 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.348 21.713 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.903 22.592 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.167 21.814 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.356 21.372 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.189 21.721 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.712 21.288 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.739 21.347 -2.625 1.00 0.00 H new ATOM 817 N CYS A 51 3.112 20.910 3.618 1.00 0.00 N ATOM 818 CA CYS A 51 3.799 20.879 4.900 1.00 0.00 C ATOM 819 C CYS A 51 3.077 21.712 5.949 1.00 0.00 C ATOM 820 O CYS A 51 2.445 22.721 5.635 1.00 0.00 O ATOM 821 CB CYS A 51 5.229 21.371 4.732 1.00 0.00 C ATOM 822 SG CYS A 51 6.225 20.348 3.609 1.00 0.00 S ATOM 0 H CYS A 51 3.693 21.226 2.841 1.00 0.00 H new ATOM 0 HA CYS A 51 3.807 19.847 5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.210 22.394 4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.712 21.398 5.709 1.00 0.00 H new ATOM 827 N ARG A 52 3.189 21.286 7.196 1.00 0.00 N ATOM 828 CA ARG A 52 2.480 21.918 8.303 1.00 0.00 C ATOM 829 C ARG A 52 3.225 21.660 9.599 1.00 0.00 C ATOM 830 O ARG A 52 4.015 20.724 9.682 1.00 0.00 O ATOM 831 CB ARG A 52 1.053 21.364 8.416 1.00 0.00 C ATOM 832 CG ARG A 52 0.132 21.790 7.284 1.00 0.00 C ATOM 833 CD ARG A 52 -0.372 23.209 7.487 1.00 0.00 C ATOM 834 NE ARG A 52 -0.322 24.044 6.278 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.869 23.733 5.093 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.444 22.556 4.889 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.823 24.611 4.102 1.00 0.00 N ATOM 0 H ARG A 52 3.771 20.495 7.472 1.00 0.00 H new ATOM 0 HA ARG A 52 2.427 22.990 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.098 20.275 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.622 21.689 9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.664 21.723 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.715 21.106 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.401 23.170 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.220 23.685 8.269 1.00 0.00 H new ATOM 0 HE ARG A 52 0.170 24.935 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.476 21.867 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.854 22.339 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.374 25.516 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.237 24.382 3.198 1.00 0.00 H new ATOM 851 N ASN A 53 3.001 22.489 10.604 1.00 0.00 N ATOM 852 CA ASN A 53 3.562 22.224 11.911 1.00 0.00 C ATOM 853 C ASN A 53 2.457 22.160 12.962 1.00 0.00 C ATOM 854 O ASN A 53 2.222 23.132 13.678 1.00 0.00 O ATOM 855 CB ASN A 53 4.576 23.301 12.294 1.00 0.00 C ATOM 856 CG ASN A 53 5.612 22.779 13.261 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.417 21.738 13.891 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.697 23.513 13.416 1.00 0.00 N ATOM 0 H ASN A 53 2.442 23.340 10.539 1.00 0.00 H new ATOM 0 HA ASN A 53 4.072 21.261 11.870 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.071 23.670 11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.055 24.148 12.742 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.417 23.226 14.079 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.816 24.368 12.873 1.00 0.00 H new ATOM 865 N PRO A 54 1.757 21.011 13.074 1.00 0.00 N ATOM 866 CA PRO A 54 0.722 20.823 14.089 1.00 0.00 C ATOM 867 C PRO A 54 1.322 20.670 15.478 1.00 0.00 C ATOM 868 O PRO A 54 0.623 20.743 16.491 1.00 0.00 O ATOM 869 CB PRO A 54 0.000 19.536 13.680 1.00 0.00 C ATOM 870 CG PRO A 54 0.586 19.115 12.373 1.00 0.00 C ATOM 871 CD PRO A 54 1.913 19.821 12.235 1.00 0.00 C ATOM 0 HA PRO A 54 0.054 21.683 14.140 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.135 18.760 14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.073 19.706 13.587 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.720 18.034 12.341 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.078 19.379 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.738 19.195 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.121 20.085 11.198 1.00 0.00 H new ATOM 879 N ASP A 55 2.628 20.461 15.504 1.00 0.00 N ATOM 880 CA ASP A 55 3.381 20.368 16.742 1.00 0.00 C ATOM 881 C ASP A 55 3.832 21.761 17.123 1.00 0.00 C ATOM 882 O ASP A 55 3.914 22.127 18.294 1.00 0.00 O ATOM 883 CB ASP A 55 4.629 19.502 16.529 1.00 0.00 C ATOM 884 CG ASP A 55 5.189 18.918 17.812 1.00 0.00 C ATOM 885 OD1 ASP A 55 5.999 19.595 18.479 1.00 0.00 O ATOM 886 OD2 ASP A 55 4.837 17.766 18.143 1.00 0.00 O ATOM 0 H ASP A 55 3.197 20.351 14.664 1.00 0.00 H new ATOM 0 HA ASP A 55 2.758 19.926 17.519 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.384 18.689 15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.400 20.103 16.046 1.00 0.00 H new ATOM 891 N GLY A 56 4.076 22.541 16.081 1.00 0.00 N ATOM 892 CA GLY A 56 4.771 23.793 16.211 1.00 0.00 C ATOM 893 C GLY A 56 6.155 23.555 16.735 1.00 0.00 C ATOM 894 O GLY A 56 6.647 24.300 17.581 1.00 0.00 O ATOM 0 H GLY A 56 3.794 22.316 15.127 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.820 24.294 15.244 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.226 24.453 16.885 1.00 0.00 H new ATOM 898 N ASP A 57 6.757 22.468 16.248 1.00 0.00 N ATOM 899 CA ASP A 57 8.152 22.173 16.524 1.00 0.00 C ATOM 900 C ASP A 57 8.990 23.413 16.277 1.00 0.00 C ATOM 901 O ASP A 57 8.840 24.068 15.243 1.00 0.00 O ATOM 902 CB ASP A 57 8.658 21.048 15.619 1.00 0.00 C ATOM 903 CG ASP A 57 9.954 20.447 16.117 1.00 0.00 C ATOM 904 OD1 ASP A 57 11.014 21.079 15.951 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.916 19.344 16.702 1.00 0.00 O ATOM 0 H ASP A 57 6.292 21.778 15.658 1.00 0.00 H new ATOM 0 HA ASP A 57 8.237 21.859 17.564 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.900 20.268 15.555 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.804 21.434 14.610 1.00 0.00 H new ATOM 910 N VAL A 58 9.874 23.721 17.214 1.00 0.00 N ATOM 911 CA VAL A 58 10.696 24.925 17.138 1.00 0.00 C ATOM 912 C VAL A 58 11.736 24.798 16.019 1.00 0.00 C ATOM 913 O VAL A 58 12.520 25.712 15.763 1.00 0.00 O ATOM 914 CB VAL A 58 11.403 25.195 18.488 1.00 0.00 C ATOM 915 CG1 VAL A 58 12.038 26.580 18.515 1.00 0.00 C ATOM 916 CG2 VAL A 58 10.423 25.035 19.641 1.00 0.00 C ATOM 0 H VAL A 58 10.043 23.151 18.043 1.00 0.00 H new ATOM 0 HA VAL A 58 10.040 25.766 16.915 1.00 0.00 H new ATOM 0 HB VAL A 58 12.201 24.461 18.601 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.526 26.738 19.477 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.776 26.658 17.717 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.267 27.337 18.371 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.935 25.228 20.583 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.603 25.743 19.522 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.028 24.019 19.644 1.00 0.00 H new ATOM 926 N GLY A 59 11.718 23.661 15.341 1.00 0.00 N ATOM 927 CA GLY A 59 12.630 23.425 14.256 1.00 0.00 C ATOM 928 C GLY A 59 12.008 23.801 12.934 1.00 0.00 C ATOM 929 O GLY A 59 12.709 23.961 11.932 1.00 0.00 O ATOM 0 H GLY A 59 11.076 22.891 15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.541 24.003 14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.918 22.374 14.240 1.00 0.00 H new ATOM 933 N GLY A 60 10.684 23.931 12.918 1.00 0.00 N ATOM 934 CA GLY A 60 10.023 24.364 11.715 1.00 0.00 C ATOM 935 C GLY A 60 8.986 23.371 11.264 1.00 0.00 C ATOM 936 O GLY A 60 8.788 22.345 11.918 1.00 0.00 O ATOM 0 H GLY A 60 10.069 23.745 13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.551 25.331 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.760 24.505 10.925 1.00 0.00 H new ATOM 940 N PRO A 61 8.314 23.641 10.142 1.00 0.00 N ATOM 941 CA PRO A 61 7.234 22.800 9.666 1.00 0.00 C ATOM 942 C PRO A 61 7.760 21.496 9.117 1.00 0.00 C ATOM 943 O PRO A 61 8.919 21.389 8.709 1.00 0.00 O ATOM 944 CB PRO A 61 6.591 23.629 8.563 1.00 0.00 C ATOM 945 CG PRO A 61 7.700 24.458 8.047 1.00 0.00 C ATOM 946 CD PRO A 61 8.584 24.757 9.225 1.00 0.00 C ATOM 0 HA PRO A 61 6.535 22.528 10.457 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.169 22.996 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.778 24.245 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.252 23.929 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.323 25.378 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.635 24.798 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.340 25.718 9.678 1.00 0.00 H new ATOM 954 N TRP A 62 6.896 20.524 9.078 1.00 0.00 N ATOM 955 CA TRP A 62 7.289 19.184 8.764 1.00 0.00 C ATOM 956 C TRP A 62 6.156 18.500 8.053 1.00 0.00 C ATOM 957 O TRP A 62 5.166 19.135 7.676 1.00 0.00 O ATOM 958 CB TRP A 62 7.639 18.429 10.050 1.00 0.00 C ATOM 959 CG TRP A 62 6.531 18.456 11.053 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.183 19.501 11.841 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.623 17.402 11.369 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.106 19.168 12.621 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.749 17.885 12.356 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.463 16.101 10.916 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.729 17.117 12.896 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.451 15.335 11.453 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.595 15.845 12.433 1.00 0.00 C ATOM 0 H TRP A 62 5.900 20.639 9.263 1.00 0.00 H new ATOM 0 HA TRP A 62 8.169 19.197 8.120 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.877 17.394 9.806 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.534 18.867 10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.682 20.459 11.853 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.647 19.784 13.292 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.118 15.697 10.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.068 17.512 13.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.317 14.320 11.110 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.812 15.217 12.831 1.00 0.00 H new ATOM 978 N CYS A 63 6.313 17.222 7.873 1.00 0.00 N ATOM 979 CA CYS A 63 5.324 16.412 7.225 1.00 0.00 C ATOM 980 C CYS A 63 5.680 14.960 7.434 1.00 0.00 C ATOM 981 O CYS A 63 6.650 14.647 8.122 1.00 0.00 O ATOM 982 CB CYS A 63 5.270 16.755 5.738 1.00 0.00 C ATOM 983 SG CYS A 63 6.824 16.437 4.844 1.00 0.00 S ATOM 0 H CYS A 63 7.140 16.707 8.175 1.00 0.00 H new ATOM 0 HA CYS A 63 4.338 16.603 7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.471 16.178 5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.009 17.808 5.628 1.00 0.00 H new ATOM 988 N TYR A 64 4.904 14.081 6.855 1.00 0.00 N ATOM 989 CA TYR A 64 5.257 12.682 6.823 1.00 0.00 C ATOM 990 C TYR A 64 5.826 12.420 5.458 1.00 0.00 C ATOM 991 O TYR A 64 5.464 13.109 4.522 1.00 0.00 O ATOM 992 CB TYR A 64 4.046 11.807 7.123 1.00 0.00 C ATOM 993 CG TYR A 64 3.667 11.848 8.584 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.411 11.147 9.522 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.586 12.591 9.030 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.085 11.178 10.860 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.252 12.628 10.370 1.00 0.00 C ATOM 998 CZ TYR A 64 3.005 11.918 11.280 1.00 0.00 C ATOM 999 OH TYR A 64 2.672 11.944 12.611 1.00 0.00 O ATOM 0 H TYR A 64 4.021 14.308 6.398 1.00 0.00 H new ATOM 0 HA TYR A 64 5.991 12.437 7.590 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.201 12.138 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.261 10.779 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.262 10.566 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.995 13.150 8.319 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.675 10.624 11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.405 13.210 10.703 1.00 0.00 H new ATOM 0 HH TYR A 64 2.641 12.873 12.922 1.00 0.00 H new ATOM 1009 N THR A 65 6.732 11.483 5.326 1.00 0.00 N ATOM 1010 CA THR A 65 7.399 11.321 4.052 1.00 0.00 C ATOM 1011 C THR A 65 6.844 10.101 3.350 1.00 0.00 C ATOM 1012 O THR A 65 6.384 9.172 4.002 1.00 0.00 O ATOM 1013 CB THR A 65 8.926 11.164 4.223 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.251 9.799 4.510 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.443 12.047 5.348 1.00 0.00 C ATOM 0 H THR A 65 7.021 10.836 6.060 1.00 0.00 H new ATOM 0 HA THR A 65 7.218 12.217 3.459 1.00 0.00 H new ATOM 0 HB THR A 65 9.400 11.469 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.273 9.665 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.521 11.917 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.223 13.090 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.957 11.768 6.283 1.00 0.00 H new ATOM 1023 N THR A 66 6.844 10.109 2.029 1.00 0.00 N ATOM 1024 CA THR A 66 6.564 8.893 1.287 1.00 0.00 C ATOM 1025 C THR A 66 7.832 8.034 1.184 1.00 0.00 C ATOM 1026 O THR A 66 8.000 7.249 0.252 1.00 0.00 O ATOM 1027 CB THR A 66 6.009 9.205 -0.118 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.905 10.072 -0.829 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.639 9.858 -0.024 1.00 0.00 C ATOM 0 H THR A 66 7.032 10.931 1.455 1.00 0.00 H new ATOM 0 HA THR A 66 5.799 8.336 1.829 1.00 0.00 H new ATOM 0 HB THR A 66 5.915 8.263 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.541 10.260 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.267 10.069 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.949 9.185 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.717 10.789 0.537 1.00 0.00 H new ATOM 1037 N ASN A 67 8.709 8.188 2.174 1.00 0.00 N ATOM 1038 CA ASN A 67 9.996 7.504 2.217 1.00 0.00 C ATOM 1039 C ASN A 67 10.001 6.476 3.348 1.00 0.00 C ATOM 1040 O ASN A 67 9.933 6.840 4.521 1.00 0.00 O ATOM 1041 CB ASN A 67 11.095 8.542 2.455 1.00 0.00 C ATOM 1042 CG ASN A 67 12.501 7.993 2.417 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.732 6.794 2.556 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.456 8.891 2.270 1.00 0.00 N ATOM 0 H ASN A 67 8.543 8.797 2.975 1.00 0.00 H new ATOM 0 HA ASN A 67 10.172 6.987 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.005 9.325 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.929 9.011 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.434 8.600 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.217 9.876 2.158 1.00 0.00 H new ATOM 1051 N PRO A 68 10.088 5.180 3.019 1.00 0.00 N ATOM 1052 CA PRO A 68 10.040 4.093 4.012 1.00 0.00 C ATOM 1053 C PRO A 68 11.249 4.053 4.949 1.00 0.00 C ATOM 1054 O PRO A 68 11.359 3.164 5.797 1.00 0.00 O ATOM 1055 CB PRO A 68 9.978 2.818 3.157 1.00 0.00 C ATOM 1056 CG PRO A 68 9.640 3.280 1.778 1.00 0.00 C ATOM 1057 CD PRO A 68 10.215 4.660 1.654 1.00 0.00 C ATOM 0 HA PRO A 68 9.191 4.221 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.931 2.289 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.224 2.128 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.063 2.612 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.561 3.291 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.253 4.639 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.663 5.267 0.936 1.00 0.00 H new ATOM 1065 N ARG A 69 12.148 5.009 4.801 1.00 0.00 N ATOM 1066 CA ARG A 69 13.289 5.132 5.691 1.00 0.00 C ATOM 1067 C ARG A 69 12.927 5.908 6.955 1.00 0.00 C ATOM 1068 O ARG A 69 13.447 5.633 8.035 1.00 0.00 O ATOM 1069 CB ARG A 69 14.418 5.843 4.968 1.00 0.00 C ATOM 1070 CG ARG A 69 15.110 4.984 3.929 1.00 0.00 C ATOM 1071 CD ARG A 69 15.837 3.815 4.577 1.00 0.00 C ATOM 1072 NE ARG A 69 16.747 4.267 5.628 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.618 3.479 6.257 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.695 2.186 5.968 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.404 3.986 7.196 1.00 0.00 N ATOM 0 H ARG A 69 12.109 5.717 4.067 1.00 0.00 H new ATOM 0 HA ARG A 69 13.602 4.130 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.023 6.736 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.154 6.176 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.376 4.609 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.820 5.590 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.110 3.121 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.398 3.268 3.819 1.00 0.00 H new ATOM 0 HE ARG A 69 16.713 5.250 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.083 1.785 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.366 1.593 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.341 4.976 7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.072 3.386 7.680 1.00 0.00 H new ATOM 1089 N LYS A 70 12.035 6.880 6.818 1.00 0.00 N ATOM 1090 CA LYS A 70 11.652 7.723 7.941 1.00 0.00 C ATOM 1091 C LYS A 70 10.172 8.073 7.859 1.00 0.00 C ATOM 1092 O LYS A 70 9.624 8.275 6.779 1.00 0.00 O ATOM 1093 CB LYS A 70 12.514 9.002 7.998 1.00 0.00 C ATOM 1094 CG LYS A 70 12.386 9.928 6.789 1.00 0.00 C ATOM 1095 CD LYS A 70 13.199 9.440 5.601 1.00 0.00 C ATOM 1096 CE LYS A 70 14.699 9.497 5.861 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.186 10.890 6.070 1.00 0.00 N ATOM 0 H LYS A 70 11.564 7.104 5.941 1.00 0.00 H new ATOM 0 HA LYS A 70 11.827 7.164 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.246 9.562 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.559 8.712 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.337 10.005 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.715 10.930 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.913 8.415 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.961 10.047 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.936 8.896 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.228 9.052 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.225 10.903 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.811 11.505 5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.862 11.236 6.996 1.00 0.00 H new ATOM 1111 N LEU A 71 9.535 8.128 9.017 1.00 0.00 N ATOM 1112 CA LEU A 71 8.100 8.372 9.111 1.00 0.00 C ATOM 1113 C LEU A 71 7.782 9.824 8.820 1.00 0.00 C ATOM 1114 O LEU A 71 6.845 10.125 8.081 1.00 0.00 O ATOM 1115 CB LEU A 71 7.599 7.986 10.512 1.00 0.00 C ATOM 1116 CG LEU A 71 6.119 8.255 10.795 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.234 7.342 9.965 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.821 8.080 12.276 1.00 0.00 C ATOM 0 H LEU A 71 9.995 8.005 9.919 1.00 0.00 H new ATOM 0 HA LEU A 71 7.591 7.759 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.790 6.924 10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.193 8.525 11.250 1.00 0.00 H new ATOM 0 HG LEU A 71 5.902 9.286 10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.187 7.552 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.425 7.515 8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.454 6.303 10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.764 8.275 12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.060 7.060 12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.425 8.780 12.854 1.00 0.00 H new ATOM 1130 N TYR A 72 8.586 10.715 9.362 1.00 0.00 N ATOM 1131 CA TYR A 72 8.359 12.129 9.181 1.00 0.00 C ATOM 1132 C TYR A 72 9.688 12.841 9.036 1.00 0.00 C ATOM 1133 O TYR A 72 10.734 12.319 9.428 1.00 0.00 O ATOM 1134 CB TYR A 72 7.561 12.713 10.363 1.00 0.00 C ATOM 1135 CG TYR A 72 8.409 13.150 11.540 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.867 12.235 12.478 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.751 14.488 11.704 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.643 12.642 13.547 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.526 14.899 12.767 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.968 13.976 13.685 1.00 0.00 C ATOM 1141 OH TYR A 72 10.745 14.388 14.743 1.00 0.00 O ATOM 0 H TYR A 72 9.401 10.483 9.930 1.00 0.00 H new ATOM 0 HA TYR A 72 7.771 12.277 8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.985 13.568 10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.844 11.966 10.705 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.614 11.191 12.371 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.404 15.217 10.987 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.993 11.920 14.270 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.785 15.942 12.878 1.00 0.00 H new ATOM 0 HH TYR A 72 10.881 15.357 14.691 1.00 0.00 H new ATOM 1151 N ASP A 73 9.639 14.018 8.462 1.00 0.00 N ATOM 1152 CA ASP A 73 10.823 14.839 8.287 1.00 0.00 C ATOM 1153 C ASP A 73 10.397 16.289 8.212 1.00 0.00 C ATOM 1154 O ASP A 73 9.207 16.580 8.142 1.00 0.00 O ATOM 1155 CB ASP A 73 11.580 14.425 7.019 1.00 0.00 C ATOM 1156 CG ASP A 73 12.949 15.065 6.913 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.666 15.104 7.937 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.316 15.508 5.805 1.00 0.00 O ATOM 0 H ASP A 73 8.782 14.438 8.102 1.00 0.00 H new ATOM 0 HA ASP A 73 11.498 14.702 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.690 13.341 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.989 14.697 6.144 1.00 0.00 H new ATOM 1163 N TYR A 74 11.355 17.190 8.226 1.00 0.00 N ATOM 1164 CA TYR A 74 11.058 18.612 8.230 1.00 0.00 C ATOM 1165 C TYR A 74 11.044 19.131 6.811 1.00 0.00 C ATOM 1166 O TYR A 74 11.665 18.546 5.937 1.00 0.00 O ATOM 1167 CB TYR A 74 12.100 19.373 9.043 1.00 0.00 C ATOM 1168 CG TYR A 74 12.136 18.974 10.503 1.00 0.00 C ATOM 1169 CD1 TYR A 74 11.327 19.607 11.444 1.00 0.00 C ATOM 1170 CD2 TYR A 74 12.972 17.954 10.938 1.00 0.00 C ATOM 1171 CE1 TYR A 74 11.357 19.233 12.775 1.00 0.00 C ATOM 1172 CE2 TYR A 74 13.003 17.574 12.265 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.197 18.215 13.178 1.00 0.00 C ATOM 1174 OH TYR A 74 12.228 17.833 14.501 1.00 0.00 O ATOM 0 H TYR A 74 12.350 16.966 8.235 1.00 0.00 H new ATOM 0 HA TYR A 74 10.079 18.764 8.685 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.084 19.206 8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.896 20.441 8.971 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.667 20.402 11.129 1.00 0.00 H new ATOM 0 HD2 TYR A 74 13.609 17.449 10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.727 19.735 13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.657 16.777 12.585 1.00 0.00 H new ATOM 0 HH TYR A 74 12.871 17.103 14.616 1.00 0.00 H new ATOM 1184 N CYS A 75 10.334 20.219 6.584 1.00 0.00 N ATOM 1185 CA CYS A 75 10.249 20.797 5.258 1.00 0.00 C ATOM 1186 C CYS A 75 11.098 22.048 5.167 1.00 0.00 C ATOM 1187 O CYS A 75 11.561 22.578 6.176 1.00 0.00 O ATOM 1188 CB CYS A 75 8.802 21.133 4.915 1.00 0.00 C ATOM 1189 SG CYS A 75 7.718 19.687 4.803 1.00 0.00 S ATOM 0 H CYS A 75 9.808 20.720 7.300 1.00 0.00 H new ATOM 0 HA CYS A 75 10.623 20.063 4.544 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.408 21.812 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.779 21.666 3.965 1.00 0.00 H new ATOM 1194 N ASP A 76 11.281 22.522 3.952 1.00 0.00 N ATOM 1195 CA ASP A 76 12.097 23.695 3.705 1.00 0.00 C ATOM 1196 C ASP A 76 11.245 24.806 3.105 1.00 0.00 C ATOM 1197 O ASP A 76 11.339 25.116 1.916 1.00 0.00 O ATOM 1198 CB ASP A 76 13.268 23.341 2.779 1.00 0.00 C ATOM 1199 CG ASP A 76 14.154 24.531 2.460 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.775 25.087 3.387 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.248 24.902 1.267 1.00 0.00 O ATOM 0 H ASP A 76 10.872 22.110 3.113 1.00 0.00 H new ATOM 0 HA ASP A 76 12.507 24.050 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.870 22.562 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.877 22.927 1.850 1.00 0.00 H new ATOM 1206 N VAL A 77 10.369 25.364 3.924 1.00 0.00 N ATOM 1207 CA VAL A 77 9.580 26.507 3.512 1.00 0.00 C ATOM 1208 C VAL A 77 10.081 27.773 4.190 1.00 0.00 C ATOM 1209 O VAL A 77 10.274 27.814 5.403 1.00 0.00 O ATOM 1210 CB VAL A 77 8.075 26.313 3.790 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.823 25.851 5.207 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.305 27.584 3.493 1.00 0.00 C ATOM 0 H VAL A 77 10.188 25.043 4.875 1.00 0.00 H new ATOM 0 HA VAL A 77 9.700 26.605 2.433 1.00 0.00 H new ATOM 0 HB VAL A 77 7.717 25.529 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.752 25.726 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.328 24.900 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.208 26.594 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.246 27.424 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.678 28.391 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.437 27.853 2.445 1.00 0.00 H new ATOM 1222 N PRO A 78 10.314 28.807 3.378 1.00 0.00 N ATOM 1223 CA PRO A 78 10.833 30.099 3.823 1.00 0.00 C ATOM 1224 C PRO A 78 10.018 30.736 4.922 1.00 0.00 C ATOM 1225 O PRO A 78 8.812 30.521 5.053 1.00 0.00 O ATOM 1226 CB PRO A 78 10.786 30.969 2.554 1.00 0.00 C ATOM 1227 CG PRO A 78 9.922 30.221 1.589 1.00 0.00 C ATOM 1228 CD PRO A 78 10.105 28.779 1.926 1.00 0.00 C ATOM 0 HA PRO A 78 11.828 29.988 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.373 31.954 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.785 31.124 2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.878 30.517 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.217 30.424 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.231 28.186 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.958 28.347 1.403 1.00 0.00 H new ATOM 1236 N GLN A 79 10.714 31.523 5.709 1.00 0.00 N ATOM 1237 CA GLN A 79 10.131 32.230 6.812 1.00 0.00 C ATOM 1238 C GLN A 79 9.330 33.412 6.307 1.00 0.00 C ATOM 1239 O GLN A 79 9.884 34.380 5.790 1.00 0.00 O ATOM 1240 CB GLN A 79 11.221 32.696 7.769 1.00 0.00 C ATOM 1241 CG GLN A 79 10.680 33.455 8.949 1.00 0.00 C ATOM 1242 CD GLN A 79 9.717 32.625 9.757 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.748 33.155 10.274 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.973 31.316 9.852 1.00 0.00 N ATOM 0 H GLN A 79 11.714 31.689 5.595 1.00 0.00 H new ATOM 0 HA GLN A 79 9.460 31.559 7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.779 31.830 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.925 33.329 7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.506 33.775 9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.178 34.358 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.799 30.924 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.342 30.710 10.377 1.00 0.00 H new ATOM 1253 N CYS A 80 8.026 33.314 6.447 1.00 0.00 N ATOM 1254 CA CYS A 80 7.138 34.374 6.044 1.00 0.00 C ATOM 1255 C CYS A 80 7.230 35.511 7.047 1.00 0.00 C ATOM 1256 O CYS A 80 7.302 36.683 6.681 1.00 0.00 O ATOM 1257 CB CYS A 80 5.697 33.870 5.956 1.00 0.00 C ATOM 1258 SG CYS A 80 4.770 34.544 4.543 1.00 0.00 S ATOM 0 H CYS A 80 7.556 32.499 6.842 1.00 0.00 H new ATOM 0 HA CYS A 80 7.435 34.729 5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.706 32.782 5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.175 34.127 6.878 1.00 0.00 H new ATOM 1263 N ALA A 81 7.270 35.143 8.323 1.00 0.00 N ATOM 1264 CA ALA A 81 7.373 36.125 9.398 1.00 0.00 C ATOM 1265 C ALA A 81 8.830 36.482 9.664 1.00 0.00 C ATOM 1266 O ALA A 81 9.329 36.331 10.780 1.00 0.00 O ATOM 1267 CB ALA A 81 6.715 35.600 10.666 1.00 0.00 C ATOM 0 H ALA A 81 7.233 34.174 8.639 1.00 0.00 H new ATOM 0 HA ALA A 81 6.850 37.029 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.802 36.346 11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.662 35.397 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.210 34.681 10.979 1.00 0.00 H new ATOM 1273 N ALA A 82 9.509 36.941 8.627 1.00 0.00 N ATOM 1274 CA ALA A 82 10.897 37.346 8.737 1.00 0.00 C ATOM 1275 C ALA A 82 10.993 38.860 8.767 1.00 0.00 C ATOM 1276 O ALA A 82 11.531 39.405 9.748 1.00 0.00 O ATOM 1277 CB ALA A 82 11.713 36.777 7.587 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.486 39.502 7.824 1.00 0.00 O ATOM 0 H ALA A 82 9.116 37.043 7.691 1.00 0.00 H new ATOM 0 HA ALA A 82 11.306 36.952 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.752 37.092 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.660 35.688 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.313 37.142 6.641 1.00 0.00 H new TER 1284 ALA A 82