USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 575 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 60 ASN : amide:sc= 1.02 K(o=3,f=-4.4) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 151:sc= 1.96 (180deg=-0.0389) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= -0.0632 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.317 K(o=-0.3,f=-3.6!) USER MOD Set 2.3: A 44 HIS : no HE2:sc= 0.0759 K(o=-0.3,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.45) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.0524 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 174:sc= -2.9 (180deg=-2.98) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00416) USER MOD Single : A 31 MET CE :methyl 139:sc= -0.134 (180deg=-0.701) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0954 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0159 USER MOD Single : A 45 SER OG : rot 180:sc= 0.109 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 97:sc=0.000416 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.02) USER MOD Single : A 57 THR OG1 : rot 104:sc= 0.186 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 176:sc= 0 (180deg=-0.0272) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -172:sc= 0 (180deg=-0.0602) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.015 -8.292 -10.707 1.00 0.00 N ATOM 2 CA GLY A 1 10.037 -9.293 -10.261 1.00 0.00 C ATOM 3 C GLY A 1 9.280 -8.791 -9.048 1.00 0.00 C ATOM 4 O GLY A 1 9.889 -8.358 -8.062 1.00 0.00 O ATOM 0 H1 GLY A 1 11.525 -8.652 -11.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.521 -7.412 -10.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.692 -8.103 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.338 -9.512 -11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.547 -10.226 -10.019 1.00 0.00 H new ATOM 8 N SER A 2 7.949 -8.830 -9.120 1.00 0.00 N ATOM 9 CA SER A 2 7.076 -8.461 -8.019 1.00 0.00 C ATOM 10 C SER A 2 7.283 -9.455 -6.863 1.00 0.00 C ATOM 11 O SER A 2 7.669 -10.613 -7.082 1.00 0.00 O ATOM 12 CB SER A 2 5.641 -8.468 -8.565 1.00 0.00 C ATOM 13 OG SER A 2 4.699 -7.775 -7.775 1.00 0.00 O ATOM 0 H SER A 2 7.446 -9.123 -9.958 1.00 0.00 H new ATOM 0 HA SER A 2 7.294 -7.470 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.646 -8.032 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.313 -9.502 -8.671 1.00 0.00 H new ATOM 0 HG SER A 2 3.816 -7.829 -8.196 1.00 0.00 H new ATOM 19 N SER A 3 7.044 -9.017 -5.629 1.00 0.00 N ATOM 20 CA SER A 3 7.024 -9.858 -4.444 1.00 0.00 C ATOM 21 C SER A 3 6.163 -9.191 -3.365 1.00 0.00 C ATOM 22 O SER A 3 5.866 -7.990 -3.452 1.00 0.00 O ATOM 23 CB SER A 3 8.464 -10.072 -3.962 1.00 0.00 C ATOM 24 OG SER A 3 8.567 -11.319 -3.318 1.00 0.00 O ATOM 0 H SER A 3 6.854 -8.036 -5.424 1.00 0.00 H new ATOM 0 HA SER A 3 6.588 -10.831 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.151 -10.030 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.751 -9.274 -3.278 1.00 0.00 H new ATOM 0 HG SER A 3 9.488 -11.454 -3.012 1.00 0.00 H new ATOM 30 N GLY A 4 5.792 -9.951 -2.334 1.00 0.00 N ATOM 31 CA GLY A 4 4.968 -9.485 -1.229 1.00 0.00 C ATOM 32 C GLY A 4 4.779 -10.604 -0.212 1.00 0.00 C ATOM 33 O GLY A 4 5.331 -10.524 0.880 1.00 0.00 O ATOM 0 H GLY A 4 6.065 -10.930 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.437 -8.624 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.999 -9.154 -1.602 1.00 0.00 H new ATOM 37 N SER A 5 4.032 -11.649 -0.577 1.00 0.00 N ATOM 38 CA SER A 5 3.840 -12.871 0.206 1.00 0.00 C ATOM 39 C SER A 5 3.497 -12.579 1.679 1.00 0.00 C ATOM 40 O SER A 5 4.236 -12.917 2.605 1.00 0.00 O ATOM 41 CB SER A 5 5.059 -13.784 0.019 1.00 0.00 C ATOM 42 OG SER A 5 5.271 -14.018 -1.368 1.00 0.00 O ATOM 0 H SER A 5 3.524 -11.667 -1.462 1.00 0.00 H new ATOM 0 HA SER A 5 2.966 -13.405 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.943 -13.323 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.901 -14.730 0.538 1.00 0.00 H new ATOM 0 HG SER A 5 6.051 -14.600 -1.486 1.00 0.00 H new ATOM 48 N SER A 6 2.343 -11.948 1.902 1.00 0.00 N ATOM 49 CA SER A 6 1.788 -11.681 3.219 1.00 0.00 C ATOM 50 C SER A 6 0.282 -11.885 3.094 1.00 0.00 C ATOM 51 O SER A 6 -0.442 -10.987 2.650 1.00 0.00 O ATOM 52 CB SER A 6 2.218 -10.276 3.683 1.00 0.00 C ATOM 53 OG SER A 6 1.683 -9.912 4.949 1.00 0.00 O ATOM 0 H SER A 6 1.755 -11.600 1.144 1.00 0.00 H new ATOM 0 HA SER A 6 2.157 -12.352 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.306 -10.234 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.903 -9.544 2.940 1.00 0.00 H new ATOM 0 HG SER A 6 1.992 -9.013 5.189 1.00 0.00 H new ATOM 59 N GLY A 7 -0.202 -13.077 3.439 1.00 0.00 N ATOM 60 CA GLY A 7 -1.620 -13.391 3.446 1.00 0.00 C ATOM 61 C GLY A 7 -1.856 -14.644 4.275 1.00 0.00 C ATOM 62 O GLY A 7 -0.970 -15.491 4.397 1.00 0.00 O ATOM 0 H GLY A 7 0.390 -13.857 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.186 -12.556 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.975 -13.544 2.427 1.00 0.00 H new ATOM 66 N ARG A 8 -3.056 -14.756 4.836 1.00 0.00 N ATOM 67 CA ARG A 8 -3.489 -15.826 5.728 1.00 0.00 C ATOM 68 C ARG A 8 -4.516 -16.703 5.020 1.00 0.00 C ATOM 69 O ARG A 8 -4.578 -17.909 5.275 1.00 0.00 O ATOM 70 CB ARG A 8 -4.110 -15.232 7.007 1.00 0.00 C ATOM 71 CG ARG A 8 -3.171 -14.369 7.870 1.00 0.00 C ATOM 72 CD ARG A 8 -3.043 -12.910 7.413 1.00 0.00 C ATOM 73 NE ARG A 8 -2.199 -12.127 8.328 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.611 -11.346 9.335 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.900 -11.268 9.665 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.722 -10.635 10.016 1.00 0.00 N ATOM 0 H ARG A 8 -3.790 -14.067 4.672 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.623 -16.430 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.970 -14.626 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.485 -16.051 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.530 -14.383 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.180 -14.824 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.619 -12.879 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.033 -12.458 7.355 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.191 -12.185 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.593 -11.809 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.194 -10.667 10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.733 -10.686 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.027 -10.038 10.784 1.00 0.00 H new ATOM 90 N GLY A 9 -5.326 -16.121 4.133 1.00 0.00 N ATOM 91 CA GLY A 9 -6.275 -16.866 3.321 1.00 0.00 C ATOM 92 C GLY A 9 -5.575 -17.667 2.232 1.00 0.00 C ATOM 93 O GLY A 9 -4.376 -17.494 1.980 1.00 0.00 O ATOM 0 H GLY A 9 -5.338 -15.116 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.848 -17.540 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.985 -16.176 2.866 1.00 0.00 H new ATOM 97 N ARG A 10 -6.341 -18.509 1.533 1.00 0.00 N ATOM 98 CA ARG A 10 -5.898 -19.062 0.259 1.00 0.00 C ATOM 99 C ARG A 10 -5.720 -17.904 -0.725 1.00 0.00 C ATOM 100 O ARG A 10 -4.641 -17.747 -1.287 1.00 0.00 O ATOM 101 CB ARG A 10 -6.908 -20.105 -0.267 1.00 0.00 C ATOM 102 CG ARG A 10 -6.270 -21.308 -0.972 1.00 0.00 C ATOM 103 CD ARG A 10 -5.266 -20.973 -2.083 1.00 0.00 C ATOM 104 NE ARG A 10 -3.875 -20.939 -1.601 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.049 -21.990 -1.515 1.00 0.00 C ATOM 106 NH1 ARG A 10 -3.495 -23.216 -1.758 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.777 -21.807 -1.189 1.00 0.00 N ATOM 0 H ARG A 10 -7.266 -18.819 1.830 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.948 -19.582 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.507 -20.466 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.591 -19.614 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.765 -21.919 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.065 -21.919 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.352 -21.712 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.520 -20.006 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.508 -20.034 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.472 -23.362 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.861 -24.012 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.428 -20.867 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.147 -22.607 -1.123 1.00 0.00 H new ATOM 121 N TYR A 11 -6.774 -17.103 -0.904 1.00 0.00 N ATOM 122 CA TYR A 11 -6.869 -16.000 -1.845 1.00 0.00 C ATOM 123 C TYR A 11 -7.729 -14.890 -1.225 1.00 0.00 C ATOM 124 O TYR A 11 -8.893 -14.716 -1.600 1.00 0.00 O ATOM 125 CB TYR A 11 -7.489 -16.505 -3.161 1.00 0.00 C ATOM 126 CG TYR A 11 -6.686 -17.544 -3.915 1.00 0.00 C ATOM 127 CD1 TYR A 11 -5.436 -17.187 -4.447 1.00 0.00 C ATOM 128 CD2 TYR A 11 -7.202 -18.838 -4.136 1.00 0.00 C ATOM 129 CE1 TYR A 11 -4.709 -18.104 -5.218 1.00 0.00 C ATOM 130 CE2 TYR A 11 -6.486 -19.756 -4.927 1.00 0.00 C ATOM 131 CZ TYR A 11 -5.237 -19.388 -5.478 1.00 0.00 C ATOM 132 OH TYR A 11 -4.539 -20.265 -6.245 1.00 0.00 O ATOM 0 H TYR A 11 -7.630 -17.220 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.879 -15.599 -2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.471 -16.923 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.647 -15.649 -3.817 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.034 -16.202 -4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.147 -19.124 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.743 -17.828 -5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.890 -20.740 -5.113 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.042 -21.102 -6.325 1.00 0.00 H new ATOM 142 N ARG A 12 -7.192 -14.141 -0.257 1.00 0.00 N ATOM 143 CA ARG A 12 -7.842 -12.968 0.325 1.00 0.00 C ATOM 144 C ARG A 12 -6.778 -11.988 0.830 1.00 0.00 C ATOM 145 O ARG A 12 -6.233 -12.188 1.915 1.00 0.00 O ATOM 146 CB ARG A 12 -8.770 -13.425 1.468 1.00 0.00 C ATOM 147 CG ARG A 12 -9.726 -12.310 1.926 1.00 0.00 C ATOM 148 CD ARG A 12 -10.993 -12.279 1.057 1.00 0.00 C ATOM 149 NE ARG A 12 -11.643 -10.964 1.057 1.00 0.00 N ATOM 150 CZ ARG A 12 -12.703 -10.532 1.750 1.00 0.00 C ATOM 151 NH1 ARG A 12 -13.236 -11.244 2.743 1.00 0.00 N ATOM 152 NH2 ARG A 12 -13.233 -9.361 1.429 1.00 0.00 N ATOM 0 H ARG A 12 -6.278 -14.338 0.150 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.442 -12.455 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.351 -14.286 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.166 -13.753 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.000 -12.467 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.219 -11.346 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.735 -12.553 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.697 -13.028 1.420 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.223 -10.274 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.835 -12.148 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.044 -10.885 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.833 -8.811 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.041 -9.009 1.942 1.00 0.00 H new ATOM 166 N GLN A 13 -6.449 -10.946 0.071 1.00 0.00 N ATOM 167 CA GLN A 13 -5.638 -9.806 0.498 1.00 0.00 C ATOM 168 C GLN A 13 -5.995 -8.604 -0.394 1.00 0.00 C ATOM 169 O GLN A 13 -7.177 -8.339 -0.610 1.00 0.00 O ATOM 170 CB GLN A 13 -4.127 -10.153 0.576 1.00 0.00 C ATOM 171 CG GLN A 13 -3.499 -10.814 -0.665 1.00 0.00 C ATOM 172 CD GLN A 13 -3.662 -12.331 -0.649 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.015 -13.026 0.132 1.00 0.00 O ATOM 174 NE2 GLN A 13 -4.552 -12.888 -1.452 1.00 0.00 N ATOM 0 H GLN A 13 -6.752 -10.868 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.872 -9.528 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.578 -9.235 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.975 -10.816 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.962 -10.409 -1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.439 -10.564 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.088 -12.309 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.703 -13.896 -1.424 1.00 0.00 H new ATOM 183 N TYR A 14 -5.015 -7.842 -0.880 1.00 0.00 N ATOM 184 CA TYR A 14 -5.181 -6.715 -1.791 1.00 0.00 C ATOM 185 C TYR A 14 -4.322 -6.990 -3.025 1.00 0.00 C ATOM 186 O TYR A 14 -3.259 -7.613 -2.912 1.00 0.00 O ATOM 187 CB TYR A 14 -4.780 -5.413 -1.077 1.00 0.00 C ATOM 188 CG TYR A 14 -3.337 -5.365 -0.583 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.312 -4.965 -1.456 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.999 -5.757 0.729 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.966 -5.022 -1.071 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.649 -5.787 1.137 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.621 -5.429 0.231 1.00 0.00 C ATOM 194 OH TYR A 14 0.694 -5.538 0.557 1.00 0.00 O ATOM 0 H TYR A 14 -4.038 -8.004 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.219 -6.597 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.943 -4.578 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.444 -5.264 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.566 -4.607 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.777 -6.035 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.192 -4.753 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.398 -6.084 2.145 1.00 0.00 H new ATOM 0 HH TYR A 14 1.215 -4.895 0.032 1.00 0.00 H new ATOM 204 N ASN A 15 -4.789 -6.525 -4.184 1.00 0.00 N ATOM 205 CA ASN A 15 -4.047 -6.608 -5.440 1.00 0.00 C ATOM 206 C ASN A 15 -2.934 -5.558 -5.401 1.00 0.00 C ATOM 207 O ASN A 15 -3.089 -4.543 -4.723 1.00 0.00 O ATOM 208 CB ASN A 15 -4.984 -6.367 -6.641 1.00 0.00 C ATOM 209 CG ASN A 15 -6.174 -7.327 -6.661 1.00 0.00 C ATOM 210 OD1 ASN A 15 -6.074 -8.474 -6.235 1.00 0.00 O ATOM 211 ND2 ASN A 15 -7.352 -6.866 -7.044 1.00 0.00 N ATOM 0 H ASN A 15 -5.700 -6.077 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.617 -7.603 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.350 -5.341 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.418 -6.476 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.177 -7.463 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.436 -5.913 -7.398 1.00 0.00 H new ATOM 218 N SER A 16 -1.844 -5.722 -6.156 1.00 0.00 N ATOM 219 CA SER A 16 -0.704 -4.798 -6.085 1.00 0.00 C ATOM 220 C SER A 16 -1.088 -3.347 -6.403 1.00 0.00 C ATOM 221 O SER A 16 -0.414 -2.420 -5.957 1.00 0.00 O ATOM 222 CB SER A 16 0.426 -5.270 -7.008 1.00 0.00 C ATOM 223 OG SER A 16 -0.013 -5.470 -8.340 1.00 0.00 O ATOM 0 H SER A 16 -1.725 -6.484 -6.823 1.00 0.00 H new ATOM 0 HA SER A 16 -0.356 -4.809 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.230 -4.534 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.842 -6.200 -6.622 1.00 0.00 H new ATOM 0 HG SER A 16 0.740 -5.768 -8.891 1.00 0.00 H new ATOM 229 N GLU A 17 -2.157 -3.157 -7.173 1.00 0.00 N ATOM 230 CA GLU A 17 -2.648 -1.855 -7.586 1.00 0.00 C ATOM 231 C GLU A 17 -3.560 -1.269 -6.515 1.00 0.00 C ATOM 232 O GLU A 17 -3.440 -0.091 -6.214 1.00 0.00 O ATOM 233 CB GLU A 17 -3.375 -1.984 -8.926 1.00 0.00 C ATOM 234 CG GLU A 17 -2.498 -2.731 -9.939 1.00 0.00 C ATOM 235 CD GLU A 17 -2.976 -2.513 -11.369 1.00 0.00 C ATOM 236 OE1 GLU A 17 -4.149 -2.820 -11.686 1.00 0.00 O ATOM 237 OE2 GLU A 17 -2.151 -2.066 -12.189 1.00 0.00 O ATOM 0 H GLU A 17 -2.717 -3.929 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.807 -1.173 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.316 -2.517 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.623 -0.994 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.466 -2.393 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.507 -3.797 -9.711 1.00 0.00 H new ATOM 244 N ILE A 18 -4.399 -2.092 -5.872 1.00 0.00 N ATOM 245 CA ILE A 18 -5.273 -1.685 -4.768 1.00 0.00 C ATOM 246 C ILE A 18 -4.459 -0.976 -3.683 1.00 0.00 C ATOM 247 O ILE A 18 -4.945 -0.050 -3.034 1.00 0.00 O ATOM 248 CB ILE A 18 -5.988 -2.929 -4.189 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.044 -3.503 -5.155 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.606 -2.634 -2.814 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.412 -2.853 -4.961 1.00 0.00 C ATOM 0 H ILE A 18 -4.490 -3.079 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.024 -0.988 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.222 -3.694 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.714 -3.353 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.129 -4.579 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.100 -3.530 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.822 -2.333 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.336 -1.830 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.124 -3.288 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.755 -3.026 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.334 -1.781 -5.141 1.00 0.00 H new ATOM 263 N LEU A 19 -3.236 -1.447 -3.452 1.00 0.00 N ATOM 264 CA LEU A 19 -2.334 -0.834 -2.503 1.00 0.00 C ATOM 265 C LEU A 19 -2.038 0.610 -2.886 1.00 0.00 C ATOM 266 O LEU A 19 -2.146 1.492 -2.042 1.00 0.00 O ATOM 267 CB LEU A 19 -1.064 -1.677 -2.437 1.00 0.00 C ATOM 268 CG LEU A 19 0.021 -1.083 -1.538 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.488 -0.883 -0.103 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.202 -2.054 -1.539 1.00 0.00 C ATOM 0 H LEU A 19 -2.850 -2.266 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.794 -0.802 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.318 -2.673 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.664 -1.796 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 19 0.315 -0.104 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.308 -0.459 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.341 -0.204 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.793 -1.844 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.997 -1.661 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.878 -3.022 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.574 -2.173 -2.557 1.00 0.00 H new ATOM 282 N GLU A 20 -1.665 0.839 -4.142 1.00 0.00 N ATOM 283 CA GLU A 20 -1.340 2.156 -4.668 1.00 0.00 C ATOM 284 C GLU A 20 -2.567 3.062 -4.578 1.00 0.00 C ATOM 285 O GLU A 20 -2.455 4.220 -4.182 1.00 0.00 O ATOM 286 CB GLU A 20 -0.879 2.036 -6.126 1.00 0.00 C ATOM 287 CG GLU A 20 0.374 1.175 -6.317 1.00 0.00 C ATOM 288 CD GLU A 20 1.632 1.998 -6.091 1.00 0.00 C ATOM 289 OE1 GLU A 20 2.105 2.621 -7.070 1.00 0.00 O ATOM 290 OE2 GLU A 20 2.205 1.988 -4.979 1.00 0.00 O ATOM 0 H GLU A 20 -1.579 0.096 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.533 2.590 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.691 1.614 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.684 3.034 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.353 0.335 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.383 0.756 -7.323 1.00 0.00 H new ATOM 297 N GLU A 21 -3.754 2.526 -4.868 1.00 0.00 N ATOM 298 CA GLU A 21 -5.013 3.216 -4.716 1.00 0.00 C ATOM 299 C GLU A 21 -5.191 3.735 -3.294 1.00 0.00 C ATOM 300 O GLU A 21 -5.412 4.932 -3.094 1.00 0.00 O ATOM 301 CB GLU A 21 -6.152 2.313 -5.110 1.00 0.00 C ATOM 302 CG GLU A 21 -6.152 1.820 -6.551 1.00 0.00 C ATOM 303 CD GLU A 21 -5.657 2.847 -7.582 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.478 3.647 -8.082 1.00 0.00 O ATOM 305 OE2 GLU A 21 -4.454 2.901 -7.923 1.00 0.00 O ATOM 0 H GLU A 21 -3.857 1.575 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.012 4.080 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.145 1.445 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.087 2.843 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.526 0.930 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.165 1.518 -6.817 1.00 0.00 H new ATOM 312 N ALA A 22 -5.080 2.831 -2.319 1.00 0.00 N ATOM 313 CA ALA A 22 -5.234 3.103 -0.892 1.00 0.00 C ATOM 314 C ALA A 22 -4.138 4.003 -0.337 1.00 0.00 C ATOM 315 O ALA A 22 -4.269 4.506 0.779 1.00 0.00 O ATOM 316 CB ALA A 22 -5.179 1.774 -0.147 1.00 0.00 C ATOM 0 H ALA A 22 -4.872 1.851 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.185 3.618 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.292 1.951 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.985 1.128 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.220 1.291 -0.335 1.00 0.00 H new ATOM 322 N ILE A 23 -3.065 4.199 -1.091 1.00 0.00 N ATOM 323 CA ILE A 23 -2.027 5.152 -0.749 1.00 0.00 C ATOM 324 C ILE A 23 -2.444 6.498 -1.326 1.00 0.00 C ATOM 325 O ILE A 23 -2.485 7.475 -0.582 1.00 0.00 O ATOM 326 CB ILE A 23 -0.677 4.616 -1.242 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.253 3.446 -0.332 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.415 5.694 -1.237 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.737 2.534 -1.042 1.00 0.00 C ATOM 0 H ILE A 23 -2.893 3.696 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.901 5.293 0.325 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.797 4.286 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.196 3.835 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.132 2.874 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.351 5.265 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.119 6.515 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.551 6.069 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.020 1.717 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.276 2.127 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.625 3.104 -1.315 1.00 0.00 H new ATOM 341 N SER A 24 -2.821 6.550 -2.605 1.00 0.00 N ATOM 342 CA SER A 24 -3.251 7.750 -3.305 1.00 0.00 C ATOM 343 C SER A 24 -4.320 8.502 -2.503 1.00 0.00 C ATOM 344 O SER A 24 -4.161 9.705 -2.276 1.00 0.00 O ATOM 345 CB SER A 24 -3.742 7.353 -4.708 1.00 0.00 C ATOM 346 OG SER A 24 -3.966 8.493 -5.506 1.00 0.00 O ATOM 0 H SER A 24 -2.834 5.722 -3.200 1.00 0.00 H new ATOM 0 HA SER A 24 -2.413 8.439 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.004 6.709 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.663 6.776 -4.625 1.00 0.00 H new ATOM 0 HG SER A 24 -4.276 8.215 -6.393 1.00 0.00 H new ATOM 352 N VAL A 25 -5.354 7.806 -2.003 1.00 0.00 N ATOM 353 CA VAL A 25 -6.376 8.393 -1.139 1.00 0.00 C ATOM 354 C VAL A 25 -5.733 9.113 0.052 1.00 0.00 C ATOM 355 O VAL A 25 -5.934 10.306 0.247 1.00 0.00 O ATOM 356 CB VAL A 25 -7.452 7.359 -0.709 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.659 7.415 -1.643 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.966 5.939 -0.554 1.00 0.00 C ATOM 0 H VAL A 25 -5.500 6.814 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.911 9.144 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.740 7.665 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.400 6.683 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.097 8.413 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.342 7.190 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.797 5.301 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.564 5.586 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.185 5.903 0.206 1.00 0.00 H new ATOM 368 N VAL A 26 -4.962 8.405 0.864 1.00 0.00 N ATOM 369 CA VAL A 26 -4.287 8.915 2.053 1.00 0.00 C ATOM 370 C VAL A 26 -3.393 10.107 1.699 1.00 0.00 C ATOM 371 O VAL A 26 -3.461 11.123 2.391 1.00 0.00 O ATOM 372 CB VAL A 26 -3.524 7.771 2.755 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.771 8.245 4.006 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.505 6.676 3.194 1.00 0.00 C ATOM 0 H VAL A 26 -4.780 7.414 0.707 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.025 9.289 2.762 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.803 7.394 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.252 7.401 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.045 9.009 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.480 8.662 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.957 5.874 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.234 7.097 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.021 6.278 2.320 1.00 0.00 H new ATOM 384 N MET A 27 -2.593 10.021 0.634 1.00 0.00 N ATOM 385 CA MET A 27 -1.682 11.078 0.209 1.00 0.00 C ATOM 386 C MET A 27 -2.442 12.350 -0.129 1.00 0.00 C ATOM 387 O MET A 27 -2.144 13.402 0.432 1.00 0.00 O ATOM 388 CB MET A 27 -0.884 10.635 -1.013 1.00 0.00 C ATOM 389 CG MET A 27 0.156 9.587 -0.660 1.00 0.00 C ATOM 390 SD MET A 27 1.186 9.221 -2.084 1.00 0.00 S ATOM 391 CE MET A 27 2.592 8.567 -1.187 1.00 0.00 C ATOM 0 H MET A 27 -2.562 9.197 0.033 1.00 0.00 H new ATOM 0 HA MET A 27 -1.002 11.279 1.037 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.564 10.233 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.392 11.500 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.776 9.944 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.337 8.678 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.323 8.174 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.049 9.362 -0.597 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.261 7.767 -0.524 1.00 0.00 H new ATOM 401 N SER A 28 -3.452 12.249 -0.992 1.00 0.00 N ATOM 402 CA SER A 28 -4.367 13.333 -1.315 1.00 0.00 C ATOM 403 C SER A 28 -5.185 13.805 -0.105 1.00 0.00 C ATOM 404 O SER A 28 -5.944 14.766 -0.232 1.00 0.00 O ATOM 405 CB SER A 28 -5.305 12.833 -2.413 1.00 0.00 C ATOM 406 OG SER A 28 -4.657 12.770 -3.662 1.00 0.00 O ATOM 0 H SER A 28 -3.658 11.387 -1.497 1.00 0.00 H new ATOM 0 HA SER A 28 -3.784 14.194 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.682 11.845 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.168 13.495 -2.484 1.00 0.00 H new ATOM 0 HG SER A 28 -5.285 12.445 -4.340 1.00 0.00 H new ATOM 412 N GLY A 29 -5.079 13.152 1.054 1.00 0.00 N ATOM 413 CA GLY A 29 -5.800 13.529 2.250 1.00 0.00 C ATOM 414 C GLY A 29 -7.279 13.192 2.134 1.00 0.00 C ATOM 415 O GLY A 29 -8.107 13.894 2.706 1.00 0.00 O ATOM 0 H GLY A 29 -4.479 12.337 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.374 13.014 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.681 14.598 2.427 1.00 0.00 H new ATOM 419 N LYS A 30 -7.645 12.144 1.381 1.00 0.00 N ATOM 420 CA LYS A 30 -9.031 11.682 1.370 1.00 0.00 C ATOM 421 C LYS A 30 -9.370 11.074 2.725 1.00 0.00 C ATOM 422 O LYS A 30 -10.510 11.174 3.177 1.00 0.00 O ATOM 423 CB LYS A 30 -9.278 10.648 0.257 1.00 0.00 C ATOM 424 CG LYS A 30 -9.508 11.265 -1.133 1.00 0.00 C ATOM 425 CD LYS A 30 -8.250 11.784 -1.812 1.00 0.00 C ATOM 426 CE LYS A 30 -8.358 11.790 -3.346 1.00 0.00 C ATOM 427 NZ LYS A 30 -9.427 12.685 -3.819 1.00 0.00 N ATOM 0 H LYS A 30 -7.011 11.613 0.784 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.674 12.540 1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.423 9.973 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.146 10.044 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.970 10.516 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.219 12.086 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.046 12.796 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.402 11.167 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.406 12.103 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.550 10.777 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.444 12.686 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.344 12.352 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.249 13.650 -3.475 1.00 0.00 H new ATOM 441 N MET A 31 -8.403 10.405 3.357 1.00 0.00 N ATOM 442 CA MET A 31 -8.599 9.702 4.611 1.00 0.00 C ATOM 443 C MET A 31 -7.275 9.498 5.345 1.00 0.00 C ATOM 444 O MET A 31 -6.216 9.851 4.822 1.00 0.00 O ATOM 445 CB MET A 31 -9.284 8.365 4.329 1.00 0.00 C ATOM 446 CG MET A 31 -8.524 7.383 3.453 1.00 0.00 C ATOM 447 SD MET A 31 -9.540 6.047 2.755 1.00 0.00 S ATOM 448 CE MET A 31 -10.740 6.906 1.747 1.00 0.00 C ATOM 0 H MET A 31 -7.450 10.340 3.000 1.00 0.00 H new ATOM 0 HA MET A 31 -9.234 10.302 5.263 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.492 7.881 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.246 8.568 3.858 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.058 7.932 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.719 6.941 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 31 -10.887 6.363 0.814 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.687 6.969 2.283 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.379 7.911 1.529 1.00 0.00 H new ATOM 458 N SER A 32 -7.333 8.953 6.561 1.00 0.00 N ATOM 459 CA SER A 32 -6.171 8.546 7.342 1.00 0.00 C ATOM 460 C SER A 32 -5.676 7.175 6.870 1.00 0.00 C ATOM 461 O SER A 32 -6.390 6.486 6.131 1.00 0.00 O ATOM 462 CB SER A 32 -6.590 8.502 8.816 1.00 0.00 C ATOM 463 OG SER A 32 -7.737 7.685 8.988 1.00 0.00 O ATOM 0 H SER A 32 -8.216 8.779 7.041 1.00 0.00 H new ATOM 0 HA SER A 32 -5.351 9.253 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.769 8.117 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.800 9.511 9.170 1.00 0.00 H new ATOM 0 HG SER A 32 -7.988 7.668 9.935 1.00 0.00 H new ATOM 469 N VAL A 33 -4.498 6.749 7.344 1.00 0.00 N ATOM 470 CA VAL A 33 -4.019 5.385 7.140 1.00 0.00 C ATOM 471 C VAL A 33 -5.070 4.416 7.699 1.00 0.00 C ATOM 472 O VAL A 33 -5.539 3.557 6.953 1.00 0.00 O ATOM 473 CB VAL A 33 -2.609 5.171 7.749 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.093 3.750 7.496 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.558 6.118 7.152 1.00 0.00 C ATOM 0 H VAL A 33 -3.858 7.339 7.875 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.896 5.189 6.075 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.735 5.365 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.103 3.639 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.775 3.030 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.034 3.570 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.590 5.925 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.487 5.951 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.850 7.151 7.340 1.00 0.00 H new ATOM 485 N SER A 34 -5.483 4.557 8.968 1.00 0.00 N ATOM 486 CA SER A 34 -6.417 3.612 9.579 1.00 0.00 C ATOM 487 C SER A 34 -7.725 3.475 8.802 1.00 0.00 C ATOM 488 O SER A 34 -8.231 2.360 8.650 1.00 0.00 O ATOM 489 CB SER A 34 -6.679 3.953 11.051 1.00 0.00 C ATOM 490 OG SER A 34 -5.731 3.286 11.857 1.00 0.00 O ATOM 0 H SER A 34 -5.184 5.313 9.584 1.00 0.00 H new ATOM 0 HA SER A 34 -5.931 2.637 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.612 5.030 11.205 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.689 3.653 11.332 1.00 0.00 H new ATOM 0 HG SER A 34 -5.893 3.502 12.799 1.00 0.00 H new ATOM 496 N LYS A 35 -8.268 4.578 8.284 1.00 0.00 N ATOM 497 CA LYS A 35 -9.456 4.550 7.444 1.00 0.00 C ATOM 498 C LYS A 35 -9.187 3.681 6.212 1.00 0.00 C ATOM 499 O LYS A 35 -9.726 2.577 6.134 1.00 0.00 O ATOM 500 CB LYS A 35 -9.878 5.988 7.166 1.00 0.00 C ATOM 501 CG LYS A 35 -11.072 6.100 6.206 1.00 0.00 C ATOM 502 CD LYS A 35 -11.897 7.352 6.503 1.00 0.00 C ATOM 503 CE LYS A 35 -12.712 7.838 5.295 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.280 9.180 5.538 1.00 0.00 N ATOM 0 H LYS A 35 -7.893 5.514 8.438 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.309 4.079 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.133 6.472 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.032 6.532 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.714 6.131 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.701 5.215 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.575 7.145 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.230 8.150 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.075 7.864 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.516 7.132 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.825 9.482 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.906 9.147 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.510 9.857 5.712 1.00 0.00 H new ATOM 518 N ALA A 36 -8.357 4.132 5.266 1.00 0.00 N ATOM 519 CA ALA A 36 -8.071 3.392 4.041 1.00 0.00 C ATOM 520 C ALA A 36 -7.639 1.942 4.259 1.00 0.00 C ATOM 521 O ALA A 36 -8.070 1.098 3.484 1.00 0.00 O ATOM 522 CB ALA A 36 -6.965 4.112 3.254 1.00 0.00 C ATOM 0 H ALA A 36 -7.865 5.023 5.332 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.012 3.360 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.751 3.560 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.295 5.119 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.063 4.168 3.863 1.00 0.00 H new ATOM 528 N GLN A 37 -6.853 1.617 5.288 1.00 0.00 N ATOM 529 CA GLN A 37 -6.539 0.244 5.674 1.00 0.00 C ATOM 530 C GLN A 37 -7.815 -0.600 5.656 1.00 0.00 C ATOM 531 O GLN A 37 -7.875 -1.631 4.978 1.00 0.00 O ATOM 532 CB GLN A 37 -5.828 0.290 7.045 1.00 0.00 C ATOM 533 CG GLN A 37 -6.008 -0.932 7.983 1.00 0.00 C ATOM 534 CD GLN A 37 -6.322 -0.570 9.440 1.00 0.00 C ATOM 535 OE1 GLN A 37 -5.825 0.401 9.996 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.093 -1.388 10.137 1.00 0.00 N ATOM 0 H GLN A 37 -6.410 2.315 5.886 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.861 -0.238 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.761 0.424 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.176 1.176 7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.812 -1.557 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.098 -1.531 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.513 -2.201 9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.267 -1.206 11.125 1.00 0.00 H new ATOM 545 N SER A 38 -8.824 -0.159 6.404 1.00 0.00 N ATOM 546 CA SER A 38 -10.064 -0.880 6.585 1.00 0.00 C ATOM 547 C SER A 38 -10.855 -0.900 5.264 1.00 0.00 C ATOM 548 O SER A 38 -11.448 -1.929 4.933 1.00 0.00 O ATOM 549 CB SER A 38 -10.812 -0.181 7.728 1.00 0.00 C ATOM 550 OG SER A 38 -11.851 -0.947 8.320 1.00 0.00 O ATOM 0 H SER A 38 -8.794 0.728 6.907 1.00 0.00 H new ATOM 0 HA SER A 38 -9.905 -1.925 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.093 0.088 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.237 0.749 7.350 1.00 0.00 H new ATOM 0 HG SER A 38 -12.272 -0.428 9.037 1.00 0.00 H new ATOM 556 N ILE A 39 -10.861 0.215 4.518 1.00 0.00 N ATOM 557 CA ILE A 39 -11.603 0.369 3.261 1.00 0.00 C ATOM 558 C ILE A 39 -11.051 -0.585 2.187 1.00 0.00 C ATOM 559 O ILE A 39 -11.795 -1.337 1.560 1.00 0.00 O ATOM 560 CB ILE A 39 -11.652 1.855 2.813 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.347 2.689 3.915 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.371 2.007 1.459 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.790 4.100 3.531 1.00 0.00 C ATOM 0 H ILE A 39 -10.339 1.051 4.779 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.641 0.080 3.423 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.635 2.222 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.223 2.138 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.667 2.765 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.389 3.059 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.841 1.433 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.393 1.637 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.262 4.579 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.922 4.683 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.502 4.046 2.708 1.00 0.00 H new ATOM 575 N TYR A 40 -9.743 -0.531 1.948 1.00 0.00 N ATOM 576 CA TYR A 40 -9.065 -1.163 0.823 1.00 0.00 C ATOM 577 C TYR A 40 -8.609 -2.589 1.155 1.00 0.00 C ATOM 578 O TYR A 40 -8.322 -3.380 0.253 1.00 0.00 O ATOM 579 CB TYR A 40 -7.888 -0.262 0.428 1.00 0.00 C ATOM 580 CG TYR A 40 -8.297 0.992 -0.333 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.779 2.124 0.355 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.087 1.080 -1.720 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.130 3.300 -0.330 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.418 2.252 -2.410 1.00 0.00 C ATOM 585 CZ TYR A 40 -9.003 3.340 -1.735 1.00 0.00 C ATOM 586 OH TYR A 40 -9.428 4.415 -2.447 1.00 0.00 O ATOM 0 H TYR A 40 -9.102 -0.025 2.559 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.753 -1.267 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.350 0.032 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.194 -0.836 -0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.881 2.087 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.669 0.240 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.492 4.161 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.223 2.322 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.258 4.264 -3.400 1.00 0.00 H new ATOM 596 N GLY A 41 -8.563 -2.950 2.439 1.00 0.00 N ATOM 597 CA GLY A 41 -8.196 -4.288 2.886 1.00 0.00 C ATOM 598 C GLY A 41 -6.684 -4.428 3.035 1.00 0.00 C ATOM 599 O GLY A 41 -6.143 -5.534 2.955 1.00 0.00 O ATOM 0 H GLY A 41 -8.783 -2.311 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.679 -4.500 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.563 -5.026 2.172 1.00 0.00 H new ATOM 603 N ILE A 42 -5.988 -3.311 3.237 1.00 0.00 N ATOM 604 CA ILE A 42 -4.543 -3.254 3.386 1.00 0.00 C ATOM 605 C ILE A 42 -4.253 -3.386 4.883 1.00 0.00 C ATOM 606 O ILE A 42 -4.969 -2.773 5.682 1.00 0.00 O ATOM 607 CB ILE A 42 -3.988 -1.908 2.870 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.633 -1.385 1.579 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.458 -2.014 2.735 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.392 -2.208 0.323 1.00 0.00 C ATOM 0 H ILE A 42 -6.432 -2.395 3.303 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.069 -4.048 2.809 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.256 -1.158 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.709 -1.313 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.269 -0.373 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.058 -1.067 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.022 -2.242 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.209 -2.808 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.897 -1.739 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.322 -2.261 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.784 -3.215 0.467 1.00 0.00 H new ATOM 622 N PRO A 43 -3.236 -4.147 5.312 1.00 0.00 N ATOM 623 CA PRO A 43 -2.757 -4.067 6.683 1.00 0.00 C ATOM 624 C PRO A 43 -2.286 -2.651 6.973 1.00 0.00 C ATOM 625 O PRO A 43 -1.600 -2.064 6.139 1.00 0.00 O ATOM 626 CB PRO A 43 -1.561 -5.022 6.758 1.00 0.00 C ATOM 627 CG PRO A 43 -1.739 -5.949 5.562 1.00 0.00 C ATOM 628 CD PRO A 43 -2.434 -5.071 4.531 1.00 0.00 C ATOM 0 HA PRO A 43 -3.535 -4.326 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.617 -4.481 6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.556 -5.579 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.782 -6.318 5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.341 -6.822 5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.711 -4.541 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.055 -5.664 3.860 1.00 0.00 H new ATOM 636 N HIS A 44 -2.558 -2.129 8.166 1.00 0.00 N ATOM 637 CA HIS A 44 -2.048 -0.819 8.545 1.00 0.00 C ATOM 638 C HIS A 44 -0.524 -0.846 8.539 1.00 0.00 C ATOM 639 O HIS A 44 0.100 0.066 8.014 1.00 0.00 O ATOM 640 CB HIS A 44 -2.566 -0.430 9.922 1.00 0.00 C ATOM 641 CG HIS A 44 -2.422 1.039 10.219 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.447 1.906 10.515 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.252 1.740 10.304 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.901 3.101 10.799 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.566 3.042 10.698 1.00 0.00 N ATOM 0 H HIS A 44 -3.123 -2.589 8.879 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.395 -0.077 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.617 -0.708 9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.029 -1.001 10.679 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.442 1.683 10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.263 1.356 10.103 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.460 3.985 11.070 1.00 0.00 H new ATOM 653 N SER A 45 0.058 -1.920 9.070 1.00 0.00 N ATOM 654 CA SER A 45 1.489 -2.158 9.155 1.00 0.00 C ATOM 655 C SER A 45 2.162 -1.975 7.789 1.00 0.00 C ATOM 656 O SER A 45 3.240 -1.395 7.689 1.00 0.00 O ATOM 657 CB SER A 45 1.686 -3.587 9.686 1.00 0.00 C ATOM 658 OG SER A 45 0.726 -3.902 10.691 1.00 0.00 O ATOM 0 H SER A 45 -0.487 -2.683 9.471 1.00 0.00 H new ATOM 0 HA SER A 45 1.955 -1.438 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.602 -4.298 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.691 -3.690 10.095 1.00 0.00 H new ATOM 0 HG SER A 45 0.874 -4.817 11.009 1.00 0.00 H new ATOM 664 N THR A 46 1.513 -2.469 6.732 1.00 0.00 N ATOM 665 CA THR A 46 1.947 -2.263 5.367 1.00 0.00 C ATOM 666 C THR A 46 1.639 -0.831 4.927 1.00 0.00 C ATOM 667 O THR A 46 2.530 -0.156 4.427 1.00 0.00 O ATOM 668 CB THR A 46 1.267 -3.321 4.482 1.00 0.00 C ATOM 669 OG1 THR A 46 1.626 -4.616 4.941 1.00 0.00 O ATOM 670 CG2 THR A 46 1.644 -3.181 3.010 1.00 0.00 C ATOM 0 H THR A 46 0.663 -3.028 6.811 1.00 0.00 H new ATOM 0 HA THR A 46 3.026 -2.384 5.275 1.00 0.00 H new ATOM 0 HB THR A 46 0.190 -3.170 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.193 -5.293 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.137 -3.952 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.342 -2.198 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.722 -3.293 2.898 1.00 0.00 H new ATOM 678 N LEU A 47 0.394 -0.373 5.061 1.00 0.00 N ATOM 679 CA LEU A 47 -0.073 0.894 4.524 1.00 0.00 C ATOM 680 C LEU A 47 0.767 2.061 5.037 1.00 0.00 C ATOM 681 O LEU A 47 1.137 2.903 4.235 1.00 0.00 O ATOM 682 CB LEU A 47 -1.561 1.090 4.851 1.00 0.00 C ATOM 683 CG LEU A 47 -2.185 2.268 4.076 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.340 1.966 2.592 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.614 2.518 4.553 1.00 0.00 C ATOM 0 H LEU A 47 -0.331 -0.889 5.559 1.00 0.00 H new ATOM 0 HA LEU A 47 0.042 0.870 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.105 0.175 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.675 1.262 5.921 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.516 3.112 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.784 2.826 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.362 1.758 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.986 1.098 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.042 3.352 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.215 1.624 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.606 2.756 5.617 1.00 0.00 H new ATOM 697 N GLU A 48 1.099 2.101 6.330 1.00 0.00 N ATOM 698 CA GLU A 48 1.993 3.087 6.933 1.00 0.00 C ATOM 699 C GLU A 48 3.285 3.132 6.119 1.00 0.00 C ATOM 700 O GLU A 48 3.545 4.126 5.441 1.00 0.00 O ATOM 701 CB GLU A 48 2.287 2.708 8.403 1.00 0.00 C ATOM 702 CG GLU A 48 1.567 3.596 9.429 1.00 0.00 C ATOM 703 CD GLU A 48 2.380 4.790 9.905 1.00 0.00 C ATOM 704 OE1 GLU A 48 3.548 4.610 10.308 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.853 5.932 9.890 1.00 0.00 O ATOM 0 H GLU A 48 0.741 1.426 7.005 1.00 0.00 H new ATOM 0 HA GLU A 48 1.524 4.071 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.995 1.671 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.362 2.768 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.637 3.957 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.297 2.988 10.292 1.00 0.00 H new ATOM 712 N TYR A 49 4.057 2.038 6.142 1.00 0.00 N ATOM 713 CA TYR A 49 5.322 1.897 5.431 1.00 0.00 C ATOM 714 C TYR A 49 5.173 2.359 3.990 1.00 0.00 C ATOM 715 O TYR A 49 5.971 3.156 3.513 1.00 0.00 O ATOM 716 CB TYR A 49 5.770 0.422 5.477 1.00 0.00 C ATOM 717 CG TYR A 49 6.862 0.047 4.489 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.500 -0.350 3.192 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.220 0.094 4.842 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.470 -0.707 2.243 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.208 -0.264 3.904 1.00 0.00 C ATOM 722 CZ TYR A 49 8.833 -0.665 2.604 1.00 0.00 C ATOM 723 OH TYR A 49 9.771 -1.028 1.690 1.00 0.00 O ATOM 0 H TYR A 49 3.806 1.205 6.674 1.00 0.00 H new ATOM 0 HA TYR A 49 6.077 2.519 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.120 0.196 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.902 -0.211 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.455 -0.381 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.508 0.405 5.835 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.177 -1.010 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.252 -0.232 4.180 1.00 0.00 H new ATOM 0 HH TYR A 49 10.133 -0.227 1.256 1.00 0.00 H new ATOM 733 N LYS A 50 4.167 1.846 3.286 1.00 0.00 N ATOM 734 CA LYS A 50 3.996 2.048 1.866 1.00 0.00 C ATOM 735 C LYS A 50 3.672 3.506 1.555 1.00 0.00 C ATOM 736 O LYS A 50 4.288 4.048 0.646 1.00 0.00 O ATOM 737 CB LYS A 50 2.911 1.091 1.379 1.00 0.00 C ATOM 738 CG LYS A 50 3.292 -0.389 1.318 1.00 0.00 C ATOM 739 CD LYS A 50 4.401 -0.691 0.310 1.00 0.00 C ATOM 740 CE LYS A 50 4.465 -2.209 0.126 1.00 0.00 C ATOM 741 NZ LYS A 50 4.877 -2.614 -1.227 1.00 0.00 N ATOM 0 H LYS A 50 3.438 1.268 3.704 1.00 0.00 H new ATOM 0 HA LYS A 50 4.923 1.830 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.045 1.195 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.599 1.406 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.612 -0.715 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.409 -0.973 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.197 -0.199 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.357 -0.309 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.163 -2.627 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.486 -2.636 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.901 -3.652 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.198 -2.243 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.824 -2.234 -1.430 1.00 0.00 H new ATOM 755 N VAL A 51 2.781 4.168 2.296 1.00 0.00 N ATOM 756 CA VAL A 51 2.569 5.607 2.169 1.00 0.00 C ATOM 757 C VAL A 51 3.912 6.312 2.372 1.00 0.00 C ATOM 758 O VAL A 51 4.322 7.122 1.547 1.00 0.00 O ATOM 759 CB VAL A 51 1.515 6.073 3.200 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.347 7.594 3.238 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.110 5.517 2.955 1.00 0.00 C ATOM 0 H VAL A 51 2.190 3.722 2.997 1.00 0.00 H new ATOM 0 HA VAL A 51 2.188 5.857 1.179 1.00 0.00 H new ATOM 0 HB VAL A 51 1.919 5.689 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.594 7.858 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.297 8.058 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.030 7.950 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.568 5.892 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.241 5.835 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.137 4.428 2.996 1.00 0.00 H new ATOM 771 N LYS A 52 4.594 5.999 3.471 1.00 0.00 N ATOM 772 CA LYS A 52 5.803 6.672 3.949 1.00 0.00 C ATOM 773 C LYS A 52 6.963 6.526 2.980 1.00 0.00 C ATOM 774 O LYS A 52 7.765 7.446 2.831 1.00 0.00 O ATOM 775 CB LYS A 52 6.076 6.150 5.366 1.00 0.00 C ATOM 776 CG LYS A 52 5.016 6.794 6.286 1.00 0.00 C ATOM 777 CD LYS A 52 4.628 5.974 7.520 1.00 0.00 C ATOM 778 CE LYS A 52 4.992 6.676 8.833 1.00 0.00 C ATOM 779 NZ LYS A 52 3.945 7.608 9.294 1.00 0.00 N ATOM 0 H LYS A 52 4.307 5.234 4.082 1.00 0.00 H new ATOM 0 HA LYS A 52 5.663 7.752 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.007 5.063 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.082 6.416 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.389 7.763 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.117 6.982 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.555 5.781 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.127 5.006 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.169 5.926 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.926 7.223 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.154 7.911 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.921 8.440 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.021 7.131 9.271 1.00 0.00 H new ATOM 793 N GLU A 53 6.985 5.412 2.269 1.00 0.00 N ATOM 794 CA GLU A 53 7.865 5.110 1.173 1.00 0.00 C ATOM 795 C GLU A 53 7.516 5.969 -0.028 1.00 0.00 C ATOM 796 O GLU A 53 8.348 6.726 -0.535 1.00 0.00 O ATOM 797 CB GLU A 53 7.772 3.617 0.868 1.00 0.00 C ATOM 798 CG GLU A 53 8.807 2.825 1.661 1.00 0.00 C ATOM 799 CD GLU A 53 10.242 2.964 1.138 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.902 4.010 1.369 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.732 1.977 0.549 1.00 0.00 O ATOM 0 H GLU A 53 6.340 4.646 2.463 1.00 0.00 H new ATOM 0 HA GLU A 53 8.898 5.341 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.772 3.256 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.923 3.451 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.778 3.151 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.529 1.771 1.649 1.00 0.00 H new ATOM 808 N ARG A 54 6.273 5.846 -0.496 1.00 0.00 N ATOM 809 CA ARG A 54 5.794 6.477 -1.717 1.00 0.00 C ATOM 810 C ARG A 54 5.795 8.007 -1.592 1.00 0.00 C ATOM 811 O ARG A 54 5.872 8.698 -2.609 1.00 0.00 O ATOM 812 CB ARG A 54 4.428 5.859 -2.087 1.00 0.00 C ATOM 813 CG ARG A 54 4.492 4.349 -2.401 1.00 0.00 C ATOM 814 CD ARG A 54 5.061 4.055 -3.786 1.00 0.00 C ATOM 815 NE ARG A 54 5.709 2.732 -3.850 1.00 0.00 N ATOM 816 CZ ARG A 54 5.739 1.953 -4.932 1.00 0.00 C ATOM 817 NH1 ARG A 54 4.815 2.069 -5.874 1.00 0.00 N ATOM 818 NH2 ARG A 54 6.711 1.063 -5.087 1.00 0.00 N ATOM 0 H ARG A 54 5.559 5.292 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 54 6.471 6.278 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.732 6.020 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.025 6.384 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.105 3.852 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.491 3.925 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.260 4.102 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.785 4.826 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 54 6.167 2.388 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.071 2.759 -5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.848 1.468 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.438 0.973 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.731 0.469 -5.916 1.00 0.00 H new ATOM 832 N LEU A 55 5.822 8.559 -0.375 1.00 0.00 N ATOM 833 CA LEU A 55 6.096 9.969 -0.072 1.00 0.00 C ATOM 834 C LEU A 55 7.504 10.408 -0.518 1.00 0.00 C ATOM 835 O LEU A 55 7.818 11.598 -0.487 1.00 0.00 O ATOM 836 CB LEU A 55 5.886 10.218 1.438 1.00 0.00 C ATOM 837 CG LEU A 55 4.401 10.376 1.844 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.239 10.241 3.359 1.00 0.00 C ATOM 839 CD2 LEU A 55 3.773 11.701 1.405 1.00 0.00 C ATOM 0 H LEU A 55 5.645 8.010 0.466 1.00 0.00 H new ATOM 0 HA LEU A 55 5.395 10.579 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.320 9.389 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.430 11.117 1.728 1.00 0.00 H new ATOM 0 HG LEU A 55 3.876 9.576 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.188 10.355 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.589 9.259 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.825 11.013 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.732 11.735 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.319 12.530 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.820 11.784 0.319 1.00 0.00 H new ATOM 851 N GLY A 56 8.361 9.493 -0.973 1.00 0.00 N ATOM 852 CA GLY A 56 9.549 9.800 -1.759 1.00 0.00 C ATOM 853 C GLY A 56 10.852 9.401 -1.078 1.00 0.00 C ATOM 854 O GLY A 56 11.911 9.857 -1.521 1.00 0.00 O ATOM 0 H GLY A 56 8.242 8.495 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.480 9.290 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.570 10.870 -1.967 1.00 0.00 H new ATOM 858 N THR A 57 10.826 8.587 -0.016 1.00 0.00 N ATOM 859 CA THR A 57 12.061 8.055 0.562 1.00 0.00 C ATOM 860 C THR A 57 12.754 7.056 -0.372 1.00 0.00 C ATOM 861 O THR A 57 13.942 6.775 -0.200 1.00 0.00 O ATOM 862 CB THR A 57 11.789 7.409 1.925 1.00 0.00 C ATOM 863 OG1 THR A 57 10.662 6.581 1.907 1.00 0.00 O ATOM 864 CG2 THR A 57 11.508 8.481 2.981 1.00 0.00 C ATOM 0 H THR A 57 9.973 8.286 0.455 1.00 0.00 H new ATOM 0 HA THR A 57 12.738 8.899 0.698 1.00 0.00 H new ATOM 0 HB THR A 57 12.681 6.827 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.945 5.643 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.317 8.004 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.371 9.141 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.635 9.063 2.685 1.00 0.00 H new ATOM 872 N LEU A 58 12.010 6.556 -1.361 1.00 0.00 N ATOM 873 CA LEU A 58 12.359 5.595 -2.399 1.00 0.00 C ATOM 874 C LEU A 58 13.427 6.158 -3.336 1.00 0.00 C ATOM 875 O LEU A 58 13.171 6.453 -4.506 1.00 0.00 O ATOM 876 CB LEU A 58 11.067 5.265 -3.164 1.00 0.00 C ATOM 877 CG LEU A 58 10.076 4.456 -2.318 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.672 4.565 -2.911 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.458 2.982 -2.312 1.00 0.00 C ATOM 0 H LEU A 58 11.039 6.851 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 58 12.782 4.693 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.593 6.192 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.315 4.703 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 58 10.100 4.856 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.975 3.988 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.363 5.610 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.676 4.175 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.744 2.424 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.447 2.599 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.457 2.867 -1.892 1.00 0.00 H new ATOM 891 N LYS A 59 14.644 6.325 -2.826 1.00 0.00 N ATOM 892 CA LYS A 59 15.737 6.991 -3.520 1.00 0.00 C ATOM 893 C LYS A 59 16.449 6.012 -4.459 1.00 0.00 C ATOM 894 O LYS A 59 17.676 5.882 -4.441 1.00 0.00 O ATOM 895 CB LYS A 59 16.621 7.698 -2.476 1.00 0.00 C ATOM 896 CG LYS A 59 17.313 8.921 -3.094 1.00 0.00 C ATOM 897 CD LYS A 59 17.944 9.856 -2.059 1.00 0.00 C ATOM 898 CE LYS A 59 16.888 10.572 -1.200 1.00 0.00 C ATOM 899 NZ LYS A 59 17.452 11.729 -0.472 1.00 0.00 N ATOM 0 H LYS A 59 14.901 5.992 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 59 15.382 7.776 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.013 8.008 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.370 7.003 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.086 8.581 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.586 9.481 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.608 9.283 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.558 10.598 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.071 10.909 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.464 9.867 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.705 12.181 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.215 11.405 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.833 12.416 -1.154 1.00 0.00 H new ATOM 913 N ASN A 60 15.686 5.308 -5.299 1.00 0.00 N ATOM 914 CA ASN A 60 16.183 4.385 -6.318 1.00 0.00 C ATOM 915 C ASN A 60 15.718 4.880 -7.688 1.00 0.00 C ATOM 916 O ASN A 60 14.780 4.316 -8.265 1.00 0.00 O ATOM 917 CB ASN A 60 15.737 2.939 -6.038 1.00 0.00 C ATOM 918 CG ASN A 60 16.617 2.269 -4.998 1.00 0.00 C ATOM 919 OD1 ASN A 60 17.826 2.183 -5.191 1.00 0.00 O ATOM 920 ND2 ASN A 60 16.060 1.763 -3.913 1.00 0.00 N ATOM 0 H ASN A 60 14.668 5.369 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 60 17.273 4.367 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.703 2.938 -5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.766 2.364 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.636 1.290 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.053 1.845 -3.771 1.00 0.00 H new ATOM 927 N PRO A 61 16.327 5.947 -8.225 1.00 0.00 N ATOM 928 CA PRO A 61 15.903 6.532 -9.488 1.00 0.00 C ATOM 929 C PRO A 61 16.211 5.620 -10.693 1.00 0.00 C ATOM 930 O PRO A 61 16.885 4.591 -10.551 1.00 0.00 O ATOM 931 CB PRO A 61 16.641 7.872 -9.551 1.00 0.00 C ATOM 932 CG PRO A 61 17.890 7.684 -8.702 1.00 0.00 C ATOM 933 CD PRO A 61 17.410 6.717 -7.631 1.00 0.00 C ATOM 0 HA PRO A 61 14.822 6.663 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.899 8.131 -10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.021 8.681 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.717 7.272 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 61 18.237 8.625 -8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.220 6.063 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.064 7.256 -6.749 1.00 0.00 H new ATOM 941 N PRO A 62 15.725 5.976 -11.895 1.00 0.00 N ATOM 942 CA PRO A 62 16.228 5.430 -13.147 1.00 0.00 C ATOM 943 C PRO A 62 17.664 5.902 -13.405 1.00 0.00 C ATOM 944 O PRO A 62 18.128 6.879 -12.810 1.00 0.00 O ATOM 945 CB PRO A 62 15.274 5.947 -14.227 1.00 0.00 C ATOM 946 CG PRO A 62 14.736 7.253 -13.651 1.00 0.00 C ATOM 947 CD PRO A 62 14.706 6.983 -12.151 1.00 0.00 C ATOM 0 HA PRO A 62 16.262 4.341 -13.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.792 6.111 -15.172 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.471 5.237 -14.423 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.381 8.097 -13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.744 7.486 -14.039 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.910 7.894 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.723 6.629 -11.840 1.00 0.00 H new ATOM 955 N LYS A 63 18.354 5.228 -14.335 1.00 0.00 N ATOM 956 CA LYS A 63 19.776 5.395 -14.659 1.00 0.00 C ATOM 957 C LYS A 63 20.651 5.507 -13.403 1.00 0.00 C ATOM 958 O LYS A 63 21.632 6.249 -13.372 1.00 0.00 O ATOM 959 CB LYS A 63 19.998 6.478 -15.736 1.00 0.00 C ATOM 960 CG LYS A 63 19.498 7.894 -15.392 1.00 0.00 C ATOM 961 CD LYS A 63 19.830 8.915 -16.488 1.00 0.00 C ATOM 962 CE LYS A 63 19.015 8.605 -17.746 1.00 0.00 C ATOM 963 NZ LYS A 63 19.268 9.540 -18.854 1.00 0.00 N ATOM 0 H LYS A 63 17.911 4.513 -14.912 1.00 0.00 H new ATOM 0 HA LYS A 63 20.129 4.479 -15.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.065 6.534 -15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.506 6.155 -16.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.419 7.868 -15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.946 8.216 -14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.608 9.923 -16.138 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.895 8.884 -16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.243 7.592 -18.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.954 8.628 -17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.685 9.273 -19.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.024 10.506 -18.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.273 9.502 -19.117 1.00 0.00 H new ATOM 977 N LYS A 64 20.296 4.748 -12.364 1.00 0.00 N ATOM 978 CA LYS A 64 21.016 4.643 -11.105 1.00 0.00 C ATOM 979 C LYS A 64 22.029 3.514 -11.240 1.00 0.00 C ATOM 980 O LYS A 64 21.637 2.360 -11.437 1.00 0.00 O ATOM 981 CB LYS A 64 19.990 4.380 -9.994 1.00 0.00 C ATOM 982 CG LYS A 64 20.584 4.145 -8.598 1.00 0.00 C ATOM 983 CD LYS A 64 20.260 2.736 -8.086 1.00 0.00 C ATOM 984 CE LYS A 64 20.910 2.486 -6.728 1.00 0.00 C ATOM 985 NZ LYS A 64 20.318 1.332 -6.020 1.00 0.00 N ATOM 0 H LYS A 64 19.459 4.165 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 64 21.557 5.556 -10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.308 5.229 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.395 3.509 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.665 4.283 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.190 4.887 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.180 2.614 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.611 1.994 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.978 2.314 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.808 3.378 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.034 0.898 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.514 1.653 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.989 0.631 -6.714 1.00 0.00 H new ATOM 999 N LYS A 65 23.325 3.827 -11.149 1.00 0.00 N ATOM 1000 CA LYS A 65 24.359 2.794 -11.081 1.00 0.00 C ATOM 1001 C LYS A 65 24.120 1.903 -9.864 1.00 0.00 C ATOM 1002 O LYS A 65 23.567 2.357 -8.862 1.00 0.00 O ATOM 1003 CB LYS A 65 25.759 3.430 -11.044 1.00 0.00 C ATOM 1004 CG LYS A 65 26.236 3.904 -12.426 1.00 0.00 C ATOM 1005 CD LYS A 65 26.647 2.736 -13.330 1.00 0.00 C ATOM 1006 CE LYS A 65 27.253 3.264 -14.634 1.00 0.00 C ATOM 1007 NZ LYS A 65 27.524 2.168 -15.585 1.00 0.00 N ATOM 0 H LYS A 65 23.680 4.783 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 65 24.305 2.174 -11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 65 25.750 4.277 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 26.471 2.706 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 65 25.440 4.471 -12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 65 27.081 4.581 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 65 27.370 2.104 -12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 65 25.779 2.114 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 65 26.571 3.982 -15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 65 28.179 3.797 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 27.934 2.559 -16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 28.194 1.496 -15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 26.636 1.676 -15.810 1.00 0.00 H new ATOM 1021 N MET A 66 24.548 0.646 -9.988 1.00 0.00 N ATOM 1022 CA MET A 66 24.272 -0.574 -9.224 1.00 0.00 C ATOM 1023 C MET A 66 23.605 -1.549 -10.190 1.00 0.00 C ATOM 1024 O MET A 66 24.128 -2.647 -10.388 1.00 0.00 O ATOM 1025 CB MET A 66 23.433 -0.416 -7.941 1.00 0.00 C ATOM 1026 CG MET A 66 24.281 0.131 -6.784 1.00 0.00 C ATOM 1027 SD MET A 66 23.367 0.532 -5.271 1.00 0.00 S ATOM 1028 CE MET A 66 22.864 -1.122 -4.739 1.00 0.00 C ATOM 0 H MET A 66 25.197 0.428 -10.744 1.00 0.00 H new ATOM 0 HA MET A 66 25.227 -0.930 -8.837 1.00 0.00 H new ATOM 0 HB2 MET A 66 22.597 0.257 -8.131 1.00 0.00 H new ATOM 0 HB3 MET A 66 23.009 -1.380 -7.660 1.00 0.00 H new ATOM 0 HG2 MET A 66 25.049 -0.603 -6.540 1.00 0.00 H new ATOM 0 HG3 MET A 66 24.795 1.029 -7.126 1.00 0.00 H new ATOM 0 HE1 MET A 66 22.351 -1.055 -3.780 1.00 0.00 H new ATOM 0 HE2 MET A 66 22.192 -1.554 -5.481 1.00 0.00 H new ATOM 0 HE3 MET A 66 23.746 -1.755 -4.635 1.00 0.00 H new ATOM 1038 N LYS A 67 22.481 -1.136 -10.800 1.00 0.00 N ATOM 1039 CA LYS A 67 21.585 -1.951 -11.627 1.00 0.00 C ATOM 1040 C LYS A 67 21.546 -3.381 -11.092 1.00 0.00 C ATOM 1041 O LYS A 67 21.905 -4.339 -11.780 1.00 0.00 O ATOM 1042 CB LYS A 67 21.943 -1.802 -13.120 1.00 0.00 C ATOM 1043 CG LYS A 67 20.804 -2.134 -14.111 1.00 0.00 C ATOM 1044 CD LYS A 67 20.615 -3.622 -14.455 1.00 0.00 C ATOM 1045 CE LYS A 67 19.562 -4.324 -13.584 1.00 0.00 C ATOM 1046 NZ LYS A 67 19.674 -5.795 -13.669 1.00 0.00 N ATOM 0 H LYS A 67 22.159 -0.171 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 67 20.557 -1.594 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 22.269 -0.777 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 22.792 -2.449 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.869 -1.757 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.986 -1.589 -15.037 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.326 -3.711 -15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.569 -4.137 -14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.679 -4.010 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.565 -4.016 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.947 -6.234 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.537 -6.097 -14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.617 -6.091 -13.344 1.00 0.00 H new ATOM 1060 N LEU A 68 21.119 -3.513 -9.841 1.00 0.00 N ATOM 1061 CA LEU A 68 20.872 -4.779 -9.175 1.00 0.00 C ATOM 1062 C LEU A 68 19.907 -4.478 -8.043 1.00 0.00 C ATOM 1063 O LEU A 68 20.085 -3.491 -7.329 1.00 0.00 O ATOM 1064 CB LEU A 68 22.179 -5.374 -8.629 1.00 0.00 C ATOM 1065 CG LEU A 68 21.974 -6.724 -7.915 1.00 0.00 C ATOM 1066 CD1 LEU A 68 21.405 -7.800 -8.850 1.00 0.00 C ATOM 1067 CD2 LEU A 68 23.315 -7.209 -7.368 1.00 0.00 C ATOM 0 H LEU A 68 20.929 -2.708 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 68 20.458 -5.514 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 68 22.882 -5.507 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 68 22.631 -4.667 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 68 21.254 -6.564 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.279 -8.732 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 68 20.439 -7.473 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 22.092 -7.960 -9.681 1.00 0.00 H new ATOM 0 HD21 LEU A 68 23.177 -8.164 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.020 -7.333 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 68 23.706 -6.477 -6.662 1.00 0.00 H new ATOM 1079 N MET A 69 18.891 -5.317 -7.880 1.00 0.00 N ATOM 1080 CA MET A 69 17.831 -5.144 -6.904 1.00 0.00 C ATOM 1081 C MET A 69 17.357 -6.542 -6.526 1.00 0.00 C ATOM 1082 O MET A 69 17.143 -7.364 -7.426 1.00 0.00 O ATOM 1083 CB MET A 69 16.712 -4.337 -7.572 1.00 0.00 C ATOM 1084 CG MET A 69 15.573 -4.017 -6.607 1.00 0.00 C ATOM 1085 SD MET A 69 13.921 -4.306 -7.263 1.00 0.00 S ATOM 1086 CE MET A 69 13.946 -3.232 -8.713 1.00 0.00 C ATOM 0 H MET A 69 18.782 -6.161 -8.442 1.00 0.00 H new ATOM 0 HA MET A 69 18.154 -4.613 -6.009 1.00 0.00 H new ATOM 0 HB2 MET A 69 17.123 -3.408 -7.966 1.00 0.00 H new ATOM 0 HB3 MET A 69 16.320 -4.897 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 69 15.700 -4.617 -5.706 1.00 0.00 H new ATOM 0 HG3 MET A 69 15.652 -2.972 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.948 -3.187 -9.150 1.00 0.00 H new ATOM 0 HE2 MET A 69 14.258 -2.230 -8.418 1.00 0.00 H new ATOM 0 HE3 MET A 69 14.646 -3.629 -9.448 1.00 0.00 H new ATOM 1096 N ARG A 70 17.230 -6.828 -5.233 1.00 0.00 N ATOM 1097 CA ARG A 70 16.697 -8.076 -4.713 1.00 0.00 C ATOM 1098 C ARG A 70 16.148 -7.724 -3.354 1.00 0.00 C ATOM 1099 O ARG A 70 14.924 -7.819 -3.157 1.00 0.00 O ATOM 1100 CB ARG A 70 17.801 -9.149 -4.670 1.00 0.00 C ATOM 1101 CG ARG A 70 17.272 -10.583 -4.518 1.00 0.00 C ATOM 1102 CD ARG A 70 17.375 -11.113 -3.079 1.00 0.00 C ATOM 1103 NE ARG A 70 17.100 -12.560 -3.002 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.892 -13.554 -3.434 1.00 0.00 C ATOM 1105 NH1 ARG A 70 19.057 -13.297 -4.011 1.00 0.00 N ATOM 1106 NH2 ARG A 70 17.504 -14.815 -3.297 1.00 0.00 N ATOM 0 H ARG A 70 17.505 -6.175 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 70 15.913 -8.507 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 70 18.391 -9.085 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 70 18.474 -8.931 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.230 -10.616 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.830 -11.242 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 70 18.373 -10.912 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.671 -10.576 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 70 16.215 -12.834 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 70 19.364 -12.332 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.647 -14.064 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.605 -15.028 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.104 -15.572 -3.625 1.00 0.00 H new TER 1120 ARG A 70