USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 TYR OH : rot 151:sc= 0.832 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -157:sc= 1.02 (180deg=-0.166) USER MOD Set 2.1: A 25 GLN : amide:sc= 1.23 K(o=2.3,f=0.21) USER MOD Set 2.2: A 57 SER OG : rot -119:sc= 1.07 USER MOD Set 3.1: A 42 ASN : amide:sc= 0.457 K(o=0.98,f=-5.7) USER MOD Set 3.2: A 54 LYS NZ :NH3+ 155:sc= 0.521 (180deg=0) USER MOD Set 4.1: A 47 MET CE :methyl -135:sc= -0.877 (180deg=-1.85) USER MOD Set 4.2: A 50 CYS SG : rot 23:sc= -0.314 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0124) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0246 (180deg=0) USER MOD Single : A 3 TYR OH : rot -168:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= 1.2 (180deg=-0.273) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0144 (180deg=-0.224) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0319 (180deg=-0.247) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.833) USER MOD Single : A 36 SER OG : rot 55:sc= 0.114 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0.184 (180deg=0.0842) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -2.92! USER MOD Single : A 65 GLN :FLIP amide:sc= -0.35 F(o=-1,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -0.0193 (180deg=-0.177) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00278 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 100:sc= 0.505 USER MOD Single : A 88 SER OG : rot 80:sc= 1.14 USER MOD Single : A 92 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0504) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.867 14.601 -2.050 1.00 0.00 N ATOM 2 CA MET A 1 11.762 13.774 -3.250 1.00 0.00 C ATOM 3 C MET A 1 10.439 13.066 -3.255 1.00 0.00 C ATOM 4 O MET A 1 10.009 12.529 -2.225 1.00 0.00 O ATOM 5 CB MET A 1 12.889 12.738 -3.294 1.00 0.00 C ATOM 6 CG MET A 1 12.929 11.882 -4.557 1.00 0.00 C ATOM 7 SD MET A 1 13.225 12.860 -6.044 1.00 0.00 S ATOM 8 CE MET A 1 13.264 11.572 -7.296 1.00 0.00 C ATOM 0 H1 MET A 1 12.845 14.580 -1.698 1.00 0.00 H new ATOM 0 H2 MET A 1 11.603 15.580 -2.279 1.00 0.00 H new ATOM 0 H3 MET A 1 11.228 14.232 -1.317 1.00 0.00 H new ATOM 0 HA MET A 1 11.844 14.419 -4.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.843 13.256 -3.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.792 12.080 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.712 11.130 -4.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.985 11.347 -4.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.475 12.016 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.043 10.850 -7.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.298 11.067 -7.329 1.00 0.00 H new ATOM 18 N ALA A 2 9.812 13.059 -4.397 1.00 0.00 N ATOM 19 CA ALA A 2 8.551 12.395 -4.588 1.00 0.00 C ATOM 20 C ALA A 2 8.793 11.087 -5.300 1.00 0.00 C ATOM 21 O ALA A 2 9.580 11.018 -6.259 1.00 0.00 O ATOM 22 CB ALA A 2 7.586 13.265 -5.383 1.00 0.00 C ATOM 0 H ALA A 2 10.167 13.521 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 2 8.095 12.208 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.641 12.737 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.410 14.197 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.015 13.484 -6.361 1.00 0.00 H new ATOM 28 N TYR A 3 8.163 10.066 -4.820 1.00 0.00 N ATOM 29 CA TYR A 3 8.305 8.735 -5.359 1.00 0.00 C ATOM 30 C TYR A 3 7.180 8.445 -6.345 1.00 0.00 C ATOM 31 O TYR A 3 6.226 9.215 -6.452 1.00 0.00 O ATOM 32 CB TYR A 3 8.301 7.691 -4.217 1.00 0.00 C ATOM 33 CG TYR A 3 9.521 7.720 -3.287 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.983 8.906 -2.722 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.191 6.547 -2.962 1.00 0.00 C ATOM 36 CE1 TYR A 3 11.065 8.925 -1.874 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.282 6.559 -2.111 1.00 0.00 C ATOM 38 CZ TYR A 3 11.715 7.752 -1.573 1.00 0.00 C ATOM 39 OH TYR A 3 12.785 7.777 -0.703 1.00 0.00 O ATOM 0 H TYR A 3 7.522 10.124 -4.029 1.00 0.00 H new ATOM 0 HA TYR A 3 9.257 8.670 -5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.405 7.841 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.227 6.697 -4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.480 9.833 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.855 5.610 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.403 9.857 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.792 5.638 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 3 13.254 6.917 -0.737 1.00 0.00 H new ATOM 49 N PHE A 4 7.313 7.367 -7.070 1.00 0.00 N ATOM 50 CA PHE A 4 6.289 6.917 -8.004 1.00 0.00 C ATOM 51 C PHE A 4 5.339 5.982 -7.264 1.00 0.00 C ATOM 52 O PHE A 4 5.700 5.459 -6.222 1.00 0.00 O ATOM 53 CB PHE A 4 6.936 6.174 -9.185 1.00 0.00 C ATOM 54 CG PHE A 4 7.820 7.024 -10.055 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.290 7.709 -11.130 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.181 7.132 -9.803 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.094 8.485 -11.939 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.990 7.909 -10.608 1.00 0.00 C ATOM 59 CZ PHE A 4 9.445 8.586 -11.678 1.00 0.00 C ATOM 0 H PHE A 4 8.136 6.765 -7.037 1.00 0.00 H new ATOM 0 HA PHE A 4 5.743 7.776 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.524 5.343 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.147 5.744 -9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.233 7.637 -11.340 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.612 6.602 -8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.665 9.014 -12.777 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.047 7.986 -10.400 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.074 9.194 -12.311 1.00 0.00 H new ATOM 69 N LEU A 5 4.147 5.781 -7.772 1.00 0.00 N ATOM 70 CA LEU A 5 3.193 4.888 -7.118 1.00 0.00 C ATOM 71 C LEU A 5 2.736 3.849 -8.138 1.00 0.00 C ATOM 72 O LEU A 5 2.229 4.212 -9.212 1.00 0.00 O ATOM 73 CB LEU A 5 1.971 5.699 -6.593 1.00 0.00 C ATOM 74 CG LEU A 5 1.103 5.088 -5.440 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.503 3.737 -5.775 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.885 5.003 -4.153 1.00 0.00 C ATOM 0 H LEU A 5 3.807 6.216 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 5 3.664 4.396 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.338 6.667 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.311 5.888 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 5 0.268 5.777 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.083 3.379 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.142 3.832 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.302 3.027 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.256 4.575 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.761 4.371 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.205 6.002 -3.855 1.00 0.00 H new ATOM 88 N ASP A 6 2.908 2.582 -7.824 1.00 0.00 N ATOM 89 CA ASP A 6 2.464 1.516 -8.718 1.00 0.00 C ATOM 90 C ASP A 6 1.805 0.422 -7.891 1.00 0.00 C ATOM 91 O ASP A 6 2.114 0.266 -6.701 1.00 0.00 O ATOM 92 CB ASP A 6 3.643 0.952 -9.529 1.00 0.00 C ATOM 93 CG ASP A 6 3.215 0.074 -10.696 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.691 0.616 -11.714 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.399 -1.147 -10.641 1.00 0.00 O ATOM 0 H ASP A 6 3.349 2.259 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 6 1.743 1.919 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.241 1.780 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.285 0.373 -8.866 1.00 0.00 H new ATOM 100 N PHE A 7 0.901 -0.300 -8.487 1.00 0.00 N ATOM 101 CA PHE A 7 0.148 -1.332 -7.790 1.00 0.00 C ATOM 102 C PHE A 7 0.429 -2.683 -8.408 1.00 0.00 C ATOM 103 O PHE A 7 0.479 -2.806 -9.629 1.00 0.00 O ATOM 104 CB PHE A 7 -1.366 -1.098 -7.919 1.00 0.00 C ATOM 105 CG PHE A 7 -1.909 0.205 -7.403 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.927 1.334 -8.209 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.438 0.291 -6.130 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.454 2.522 -7.750 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.970 1.474 -5.666 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.978 2.592 -6.476 1.00 0.00 C ATOM 0 H PHE A 7 0.656 -0.199 -9.472 1.00 0.00 H new ATOM 0 HA PHE A 7 0.451 -1.297 -6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.631 -1.180 -8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.878 -1.907 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.523 1.281 -9.209 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.435 -0.580 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.457 3.395 -8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.381 1.527 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.394 3.520 -6.113 1.00 0.00 H new ATOM 120 N ASP A 8 0.602 -3.681 -7.584 1.00 0.00 N ATOM 121 CA ASP A 8 0.727 -5.055 -8.056 1.00 0.00 C ATOM 122 C ASP A 8 -0.624 -5.541 -8.581 1.00 0.00 C ATOM 123 O ASP A 8 -1.669 -5.026 -8.166 1.00 0.00 O ATOM 124 CB ASP A 8 1.209 -5.973 -6.935 1.00 0.00 C ATOM 125 CG ASP A 8 1.173 -7.419 -7.334 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.032 -7.871 -8.116 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.267 -8.134 -6.883 1.00 0.00 O ATOM 0 H ASP A 8 0.661 -3.578 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 8 1.463 -5.081 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.227 -5.700 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.586 -5.825 -6.053 1.00 0.00 H new ATOM 132 N GLU A 9 -0.615 -6.511 -9.483 1.00 0.00 N ATOM 133 CA GLU A 9 -1.836 -7.008 -10.069 1.00 0.00 C ATOM 134 C GLU A 9 -2.830 -7.591 -9.043 1.00 0.00 C ATOM 135 O GLU A 9 -4.038 -7.452 -9.234 1.00 0.00 O ATOM 136 CB GLU A 9 -1.578 -7.908 -11.306 1.00 0.00 C ATOM 137 CG GLU A 9 -0.738 -9.172 -11.098 1.00 0.00 C ATOM 138 CD GLU A 9 -1.515 -10.335 -10.530 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.456 -10.814 -11.197 1.00 0.00 O ATOM 140 OE2 GLU A 9 -1.193 -10.807 -9.439 1.00 0.00 O ATOM 0 H GLU A 9 0.232 -6.967 -9.822 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.360 -6.135 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.544 -8.209 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.089 -7.301 -12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.304 -9.469 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.091 -8.940 -10.429 1.00 0.00 H new ATOM 147 N ARG A 10 -2.333 -8.174 -7.932 1.00 0.00 N ATOM 148 CA ARG A 10 -3.227 -8.668 -6.872 1.00 0.00 C ATOM 149 C ARG A 10 -3.850 -7.497 -6.146 1.00 0.00 C ATOM 150 O ARG A 10 -5.041 -7.520 -5.789 1.00 0.00 O ATOM 151 CB ARG A 10 -2.513 -9.568 -5.849 1.00 0.00 C ATOM 152 CG ARG A 10 -2.033 -10.892 -6.392 1.00 0.00 C ATOM 153 CD ARG A 10 -1.471 -11.775 -5.287 1.00 0.00 C ATOM 154 NE ARG A 10 -0.987 -13.056 -5.813 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.568 -14.102 -5.082 1.00 0.00 C ATOM 156 NH1 ARG A 10 -0.644 -14.082 -3.748 1.00 0.00 N ATOM 157 NH2 ARG A 10 -0.113 -15.191 -5.692 1.00 0.00 N ATOM 0 H ARG A 10 -1.339 -8.311 -7.750 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.988 -9.274 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.658 -9.026 -5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.192 -9.758 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.858 -11.405 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.267 -10.721 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.655 -11.255 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.242 -11.956 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.967 -13.162 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.024 -13.265 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.322 -14.884 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.083 -15.230 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.206 -15.988 -5.142 1.00 0.00 H new ATOM 171 N ALA A 11 -3.052 -6.463 -5.957 1.00 0.00 N ATOM 172 CA ALA A 11 -3.495 -5.260 -5.295 1.00 0.00 C ATOM 173 C ALA A 11 -4.549 -4.560 -6.131 1.00 0.00 C ATOM 174 O ALA A 11 -5.522 -4.065 -5.602 1.00 0.00 O ATOM 175 CB ALA A 11 -2.324 -4.330 -5.025 1.00 0.00 C ATOM 0 H ALA A 11 -2.078 -6.438 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.935 -5.536 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.682 -3.430 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.598 -4.835 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.851 -4.058 -5.968 1.00 0.00 H new ATOM 181 N LEU A 12 -4.362 -4.575 -7.451 1.00 0.00 N ATOM 182 CA LEU A 12 -5.288 -3.955 -8.382 1.00 0.00 C ATOM 183 C LEU A 12 -6.658 -4.582 -8.296 1.00 0.00 C ATOM 184 O LEU A 12 -7.661 -3.888 -8.257 1.00 0.00 O ATOM 185 CB LEU A 12 -4.765 -4.047 -9.818 1.00 0.00 C ATOM 186 CG LEU A 12 -3.612 -3.113 -10.192 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.100 -3.442 -11.583 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.080 -1.661 -10.148 1.00 0.00 C ATOM 0 H LEU A 12 -3.561 -5.020 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.371 -2.905 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.443 -5.073 -9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.596 -3.850 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.804 -3.252 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.280 -2.770 -11.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.746 -4.473 -11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.907 -3.320 -12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.253 -1.004 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.898 -1.521 -10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.424 -1.420 -9.142 1.00 0.00 H new ATOM 200 N LYS A 13 -6.688 -5.891 -8.230 1.00 0.00 N ATOM 201 CA LYS A 13 -7.937 -6.640 -8.176 1.00 0.00 C ATOM 202 C LYS A 13 -8.737 -6.278 -6.927 1.00 0.00 C ATOM 203 O LYS A 13 -9.946 -6.011 -7.001 1.00 0.00 O ATOM 204 CB LYS A 13 -7.612 -8.119 -8.196 1.00 0.00 C ATOM 205 CG LYS A 13 -6.927 -8.549 -9.472 1.00 0.00 C ATOM 206 CD LYS A 13 -6.299 -9.912 -9.337 1.00 0.00 C ATOM 207 CE LYS A 13 -5.669 -10.361 -10.650 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.021 -11.684 -10.536 1.00 0.00 N ATOM 0 H LYS A 13 -5.852 -6.475 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.553 -6.386 -9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.972 -8.357 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.532 -8.691 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.651 -8.561 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.161 -7.820 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.540 -9.890 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.054 -10.634 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.435 -10.400 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.932 -9.624 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.000 -11.587 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.175 -12.065 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.431 -12.333 -11.237 1.00 0.00 H new ATOM 222 N GLU A 14 -8.055 -6.210 -5.800 1.00 0.00 N ATOM 223 CA GLU A 14 -8.677 -5.813 -4.560 1.00 0.00 C ATOM 224 C GLU A 14 -9.047 -4.330 -4.575 1.00 0.00 C ATOM 225 O GLU A 14 -10.089 -3.951 -4.081 1.00 0.00 O ATOM 226 CB GLU A 14 -7.764 -6.149 -3.403 1.00 0.00 C ATOM 227 CG GLU A 14 -7.555 -7.640 -3.250 1.00 0.00 C ATOM 228 CD GLU A 14 -8.843 -8.364 -2.923 1.00 0.00 C ATOM 229 OE1 GLU A 14 -9.293 -8.319 -1.746 1.00 0.00 O ATOM 230 OE2 GLU A 14 -9.453 -8.959 -3.843 1.00 0.00 O ATOM 0 H GLU A 14 -7.062 -6.427 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.607 -6.368 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.800 -5.663 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.186 -5.747 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.137 -8.044 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.825 -7.824 -2.461 1.00 0.00 H new ATOM 237 N TRP A 15 -8.197 -3.517 -5.180 1.00 0.00 N ATOM 238 CA TRP A 15 -8.400 -2.067 -5.314 1.00 0.00 C ATOM 239 C TRP A 15 -9.680 -1.772 -6.110 1.00 0.00 C ATOM 240 O TRP A 15 -10.406 -0.818 -5.828 1.00 0.00 O ATOM 241 CB TRP A 15 -7.169 -1.465 -6.015 1.00 0.00 C ATOM 242 CG TRP A 15 -7.199 0.012 -6.242 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.540 0.653 -7.395 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.851 1.031 -5.300 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.430 2.008 -7.228 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.009 2.268 -5.951 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.425 1.020 -3.968 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.752 3.480 -5.319 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.172 2.223 -3.342 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.337 3.436 -4.016 1.00 0.00 C ATOM 0 H TRP A 15 -7.328 -3.843 -5.603 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.517 -1.617 -4.328 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.286 -1.703 -5.422 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.048 -1.958 -6.980 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.851 0.164 -8.307 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.630 2.710 -7.940 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.296 0.087 -3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.875 4.420 -5.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.841 2.227 -2.314 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.132 4.360 -3.496 1.00 0.00 H new ATOM 261 N ARG A 16 -9.932 -2.591 -7.105 1.00 0.00 N ATOM 262 CA ARG A 16 -11.128 -2.490 -7.932 1.00 0.00 C ATOM 263 C ARG A 16 -12.348 -3.001 -7.175 1.00 0.00 C ATOM 264 O ARG A 16 -13.474 -2.553 -7.399 1.00 0.00 O ATOM 265 CB ARG A 16 -10.923 -3.263 -9.229 1.00 0.00 C ATOM 266 CG ARG A 16 -9.792 -2.704 -10.066 1.00 0.00 C ATOM 267 CD ARG A 16 -9.484 -3.563 -11.266 1.00 0.00 C ATOM 268 NE ARG A 16 -8.322 -3.046 -11.986 1.00 0.00 N ATOM 269 CZ ARG A 16 -7.579 -3.714 -12.871 1.00 0.00 C ATOM 270 NH1 ARG A 16 -7.929 -4.933 -13.256 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.506 -3.129 -13.399 1.00 0.00 N ATOM 0 H ARG A 16 -9.311 -3.355 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.305 -1.443 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.716 -4.308 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.845 -3.242 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.053 -1.700 -10.399 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.898 -2.613 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.294 -4.588 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.347 -3.591 -11.931 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.053 -2.081 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.771 -5.366 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.357 -5.438 -13.933 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.258 -2.178 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.932 -3.632 -14.076 1.00 0.00 H new ATOM 285 N LYS A 17 -12.111 -3.929 -6.272 1.00 0.00 N ATOM 286 CA LYS A 17 -13.153 -4.505 -5.440 1.00 0.00 C ATOM 287 C LYS A 17 -13.538 -3.532 -4.309 1.00 0.00 C ATOM 288 O LYS A 17 -14.659 -3.566 -3.789 1.00 0.00 O ATOM 289 CB LYS A 17 -12.664 -5.838 -4.858 1.00 0.00 C ATOM 290 CG LYS A 17 -13.689 -6.560 -4.022 1.00 0.00 C ATOM 291 CD LYS A 17 -13.156 -7.867 -3.488 1.00 0.00 C ATOM 292 CE LYS A 17 -14.187 -8.551 -2.614 1.00 0.00 C ATOM 293 NZ LYS A 17 -15.436 -8.879 -3.356 1.00 0.00 N ATOM 0 H LYS A 17 -11.182 -4.310 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.039 -4.685 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.356 -6.488 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.780 -5.653 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.993 -5.924 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.580 -6.748 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.885 -8.520 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.247 -7.687 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.761 -9.467 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.429 -7.905 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.015 -9.532 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.973 -8.006 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.194 -9.328 -4.262 1.00 0.00 H new ATOM 307 N LEU A 18 -12.602 -2.684 -3.936 1.00 0.00 N ATOM 308 CA LEU A 18 -12.809 -1.678 -2.906 1.00 0.00 C ATOM 309 C LEU A 18 -13.852 -0.669 -3.307 1.00 0.00 C ATOM 310 O LEU A 18 -14.061 -0.400 -4.500 1.00 0.00 O ATOM 311 CB LEU A 18 -11.513 -0.943 -2.584 1.00 0.00 C ATOM 312 CG LEU A 18 -10.833 -1.292 -1.266 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.456 -2.754 -1.199 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.622 -0.419 -1.072 1.00 0.00 C ATOM 0 H LEU A 18 -11.666 -2.671 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.156 -2.212 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.806 -1.132 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.720 0.127 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.542 -1.107 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.974 -2.962 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.353 -3.366 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.769 -2.990 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.139 -0.672 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.923 -0.580 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.927 0.627 -1.055 1.00 0.00 H new ATOM 326 N GLY A 19 -14.511 -0.127 -2.319 1.00 0.00 N ATOM 327 CA GLY A 19 -15.497 0.881 -2.557 1.00 0.00 C ATOM 328 C GLY A 19 -14.853 2.154 -3.017 1.00 0.00 C ATOM 329 O GLY A 19 -13.733 2.469 -2.581 1.00 0.00 O ATOM 0 H GLY A 19 -14.379 -0.371 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.205 0.534 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.065 1.064 -1.645 1.00 0.00 H new ATOM 333 N SER A 20 -15.537 2.867 -3.891 1.00 0.00 N ATOM 334 CA SER A 20 -15.087 4.128 -4.463 1.00 0.00 C ATOM 335 C SER A 20 -14.514 5.075 -3.397 1.00 0.00 C ATOM 336 O SER A 20 -13.361 5.487 -3.480 1.00 0.00 O ATOM 337 CB SER A 20 -16.275 4.787 -5.164 1.00 0.00 C ATOM 338 OG SER A 20 -16.874 3.875 -6.078 1.00 0.00 O ATOM 0 H SER A 20 -16.452 2.577 -4.236 1.00 0.00 H new ATOM 0 HA SER A 20 -14.283 3.924 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.010 5.108 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.944 5.680 -5.694 1.00 0.00 H new ATOM 0 HG SER A 20 -17.635 4.307 -6.520 1.00 0.00 H new ATOM 344 N THR A 21 -15.286 5.310 -2.364 1.00 0.00 N ATOM 345 CA THR A 21 -14.930 6.250 -1.320 1.00 0.00 C ATOM 346 C THR A 21 -13.744 5.721 -0.508 1.00 0.00 C ATOM 347 O THR A 21 -12.851 6.482 -0.116 1.00 0.00 O ATOM 348 CB THR A 21 -16.134 6.484 -0.379 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.330 6.663 -1.167 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.925 7.733 0.469 1.00 0.00 C ATOM 0 H THR A 21 -16.186 4.853 -2.220 1.00 0.00 H new ATOM 0 HA THR A 21 -14.650 7.193 -1.789 1.00 0.00 H new ATOM 0 HB THR A 21 -16.230 5.618 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.095 6.810 -0.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.785 7.877 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.025 7.616 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.815 8.600 -0.182 1.00 0.00 H new ATOM 358 N VAL A 22 -13.718 4.412 -0.309 1.00 0.00 N ATOM 359 CA VAL A 22 -12.686 3.774 0.481 1.00 0.00 C ATOM 360 C VAL A 22 -11.346 3.890 -0.219 1.00 0.00 C ATOM 361 O VAL A 22 -10.355 4.337 0.373 1.00 0.00 O ATOM 362 CB VAL A 22 -13.030 2.274 0.707 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.907 1.537 1.406 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.311 2.145 1.506 1.00 0.00 C ATOM 0 H VAL A 22 -14.411 3.768 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.630 4.275 1.447 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.166 1.818 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.188 0.493 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.003 1.592 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.721 1.995 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.541 1.090 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.187 2.632 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.128 2.620 0.963 1.00 0.00 H new ATOM 374 N ARG A 23 -11.332 3.560 -1.487 1.00 0.00 N ATOM 375 CA ARG A 23 -10.119 3.638 -2.243 1.00 0.00 C ATOM 376 C ARG A 23 -9.662 5.068 -2.477 1.00 0.00 C ATOM 377 O ARG A 23 -8.479 5.334 -2.482 1.00 0.00 O ATOM 378 CB ARG A 23 -10.148 2.831 -3.522 1.00 0.00 C ATOM 379 CG ARG A 23 -11.269 3.140 -4.484 1.00 0.00 C ATOM 380 CD ARG A 23 -10.881 2.583 -5.828 1.00 0.00 C ATOM 381 NE ARG A 23 -11.849 2.825 -6.888 1.00 0.00 N ATOM 382 CZ ARG A 23 -11.921 2.085 -8.009 1.00 0.00 C ATOM 383 NH1 ARG A 23 -11.203 0.965 -8.117 1.00 0.00 N ATOM 384 NH2 ARG A 23 -12.744 2.433 -8.987 1.00 0.00 N ATOM 0 H ARG A 23 -12.146 3.237 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.364 3.167 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.201 2.979 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.205 1.775 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.203 2.695 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.433 4.216 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.924 3.014 -6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.730 1.508 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.507 3.596 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.600 0.670 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.258 0.404 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.326 3.265 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.795 1.869 -9.835 1.00 0.00 H new ATOM 398 N GLU A 24 -10.607 5.984 -2.665 1.00 0.00 N ATOM 399 CA GLU A 24 -10.281 7.399 -2.836 1.00 0.00 C ATOM 400 C GLU A 24 -9.497 7.953 -1.665 1.00 0.00 C ATOM 401 O GLU A 24 -8.522 8.680 -1.852 1.00 0.00 O ATOM 402 CB GLU A 24 -11.529 8.236 -3.081 1.00 0.00 C ATOM 403 CG GLU A 24 -12.050 8.140 -4.500 1.00 0.00 C ATOM 404 CD GLU A 24 -13.208 9.063 -4.763 1.00 0.00 C ATOM 405 OE1 GLU A 24 -12.997 10.302 -4.805 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.324 8.589 -4.990 1.00 0.00 O ATOM 0 H GLU A 24 -11.604 5.774 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.645 7.462 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.312 7.918 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.308 9.279 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.242 8.372 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.358 7.114 -4.700 1.00 0.00 H new ATOM 413 N GLN A 25 -9.887 7.574 -0.470 1.00 0.00 N ATOM 414 CA GLN A 25 -9.221 8.038 0.723 1.00 0.00 C ATOM 415 C GLN A 25 -7.833 7.411 0.855 1.00 0.00 C ATOM 416 O GLN A 25 -6.879 8.065 1.310 1.00 0.00 O ATOM 417 CB GLN A 25 -10.075 7.733 1.912 1.00 0.00 C ATOM 418 CG GLN A 25 -11.320 8.569 2.007 1.00 0.00 C ATOM 419 CD GLN A 25 -12.296 8.007 3.000 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.266 8.311 4.187 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.167 7.181 2.519 1.00 0.00 N ATOM 0 H GLN A 25 -10.668 6.941 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.077 9.117 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.359 6.681 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.484 7.877 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.054 9.586 2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.793 8.629 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.159 6.953 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.862 6.757 3.134 1.00 0.00 H new ATOM 430 N LEU A 26 -7.721 6.156 0.439 1.00 0.00 N ATOM 431 CA LEU A 26 -6.445 5.455 0.439 1.00 0.00 C ATOM 432 C LEU A 26 -5.519 6.052 -0.598 1.00 0.00 C ATOM 433 O LEU A 26 -4.332 6.213 -0.354 1.00 0.00 O ATOM 434 CB LEU A 26 -6.634 3.965 0.167 1.00 0.00 C ATOM 435 CG LEU A 26 -7.335 3.155 1.264 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.549 1.733 0.808 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.511 3.161 2.546 1.00 0.00 C ATOM 0 H LEU A 26 -8.504 5.600 0.095 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.001 5.570 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.204 3.856 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.654 3.523 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.301 3.618 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.048 1.169 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.168 1.728 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.586 1.273 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.026 2.581 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.533 2.720 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.384 4.187 2.892 1.00 0.00 H new ATOM 449 N LYS A 27 -6.082 6.394 -1.745 1.00 0.00 N ATOM 450 CA LYS A 27 -5.342 7.017 -2.822 1.00 0.00 C ATOM 451 C LYS A 27 -4.745 8.336 -2.363 1.00 0.00 C ATOM 452 O LYS A 27 -3.605 8.636 -2.667 1.00 0.00 O ATOM 453 CB LYS A 27 -6.230 7.266 -4.026 1.00 0.00 C ATOM 454 CG LYS A 27 -5.474 7.873 -5.192 1.00 0.00 C ATOM 455 CD LYS A 27 -6.387 8.346 -6.298 1.00 0.00 C ATOM 456 CE LYS A 27 -7.205 9.551 -5.861 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.038 10.073 -6.960 1.00 0.00 N ATOM 0 H LYS A 27 -7.069 6.245 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.543 6.333 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.682 6.325 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.045 7.931 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.878 8.713 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.778 7.135 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.795 8.605 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.056 7.537 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.843 9.273 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.536 10.336 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.581 10.894 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.428 10.362 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.693 9.332 -7.281 1.00 0.00 H new ATOM 471 N LYS A 28 -5.532 9.114 -1.626 1.00 0.00 N ATOM 472 CA LYS A 28 -5.056 10.381 -1.062 1.00 0.00 C ATOM 473 C LYS A 28 -3.832 10.131 -0.195 1.00 0.00 C ATOM 474 O LYS A 28 -2.840 10.870 -0.263 1.00 0.00 O ATOM 475 CB LYS A 28 -6.149 11.065 -0.240 1.00 0.00 C ATOM 476 CG LYS A 28 -7.350 11.498 -1.036 1.00 0.00 C ATOM 477 CD LYS A 28 -8.375 12.148 -0.131 1.00 0.00 C ATOM 478 CE LYS A 28 -9.588 12.590 -0.908 1.00 0.00 C ATOM 479 NZ LYS A 28 -9.252 13.601 -1.936 1.00 0.00 N ATOM 0 H LYS A 28 -6.502 8.893 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.789 11.043 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.476 10.383 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.722 11.938 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.046 12.198 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.792 10.637 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.675 11.445 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.928 13.007 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.046 11.725 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.327 13.003 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.125 14.049 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.632 14.325 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.763 13.140 -2.730 1.00 0.00 H new ATOM 493 N LYS A 29 -3.892 9.059 0.579 1.00 0.00 N ATOM 494 CA LYS A 29 -2.778 8.643 1.397 1.00 0.00 C ATOM 495 C LYS A 29 -1.580 8.247 0.573 1.00 0.00 C ATOM 496 O LYS A 29 -0.456 8.549 0.942 1.00 0.00 O ATOM 497 CB LYS A 29 -3.165 7.557 2.401 1.00 0.00 C ATOM 498 CG LYS A 29 -4.066 8.041 3.521 1.00 0.00 C ATOM 499 CD LYS A 29 -3.374 9.135 4.293 1.00 0.00 C ATOM 500 CE LYS A 29 -4.200 9.652 5.433 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.544 10.812 6.079 1.00 0.00 N ATOM 0 H LYS A 29 -4.713 8.459 0.654 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.485 9.516 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.667 6.748 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.257 7.138 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.006 8.411 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.312 7.213 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.426 8.758 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.139 9.958 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.186 9.943 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.351 8.860 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.256 11.374 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.824 10.475 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.091 11.403 5.353 1.00 0.00 H new ATOM 515 N LEU A 30 -1.822 7.610 -0.541 1.00 0.00 N ATOM 516 CA LEU A 30 -0.762 7.237 -1.455 1.00 0.00 C ATOM 517 C LEU A 30 -0.109 8.492 -2.030 1.00 0.00 C ATOM 518 O LEU A 30 1.113 8.589 -2.129 1.00 0.00 O ATOM 519 CB LEU A 30 -1.314 6.362 -2.579 1.00 0.00 C ATOM 520 CG LEU A 30 -1.981 5.060 -2.138 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.544 4.315 -3.325 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.002 4.185 -1.374 1.00 0.00 C ATOM 0 H LEU A 30 -2.755 7.333 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.010 6.665 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.039 6.946 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.498 6.118 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.806 5.313 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.014 3.392 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.286 4.937 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.739 4.078 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.498 3.264 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.152 3.945 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.652 4.717 -0.490 1.00 0.00 H new ATOM 534 N VAL A 31 -0.930 9.464 -2.358 1.00 0.00 N ATOM 535 CA VAL A 31 -0.457 10.712 -2.912 1.00 0.00 C ATOM 536 C VAL A 31 0.395 11.496 -1.896 1.00 0.00 C ATOM 537 O VAL A 31 1.491 11.972 -2.235 1.00 0.00 O ATOM 538 CB VAL A 31 -1.650 11.579 -3.424 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.187 12.938 -3.922 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.378 10.846 -4.532 1.00 0.00 C ATOM 0 H VAL A 31 -1.943 9.412 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 31 0.183 10.474 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.325 11.745 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.047 13.510 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.697 13.476 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.484 12.804 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.210 11.455 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.690 10.657 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.759 9.898 -4.152 1.00 0.00 H new ATOM 550 N GLU A 32 -0.067 11.599 -0.651 1.00 0.00 N ATOM 551 CA GLU A 32 0.712 12.300 0.369 1.00 0.00 C ATOM 552 C GLU A 32 1.977 11.530 0.750 1.00 0.00 C ATOM 553 O GLU A 32 3.038 12.120 0.943 1.00 0.00 O ATOM 554 CB GLU A 32 -0.106 12.662 1.623 1.00 0.00 C ATOM 555 CG GLU A 32 -0.697 11.485 2.357 1.00 0.00 C ATOM 556 CD GLU A 32 -1.231 11.844 3.720 1.00 0.00 C ATOM 557 OE1 GLU A 32 -0.454 11.820 4.695 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.438 12.125 3.860 1.00 0.00 O ATOM 0 H GLU A 32 -0.956 11.216 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 32 1.010 13.242 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.535 13.215 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.914 13.332 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.502 11.059 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.064 10.712 2.464 1.00 0.00 H new ATOM 565 N VAL A 33 1.870 10.206 0.813 1.00 0.00 N ATOM 566 CA VAL A 33 2.974 9.373 1.234 1.00 0.00 C ATOM 567 C VAL A 33 4.155 9.460 0.267 1.00 0.00 C ATOM 568 O VAL A 33 5.267 9.361 0.673 1.00 0.00 O ATOM 569 CB VAL A 33 2.576 7.894 1.543 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.353 7.066 0.290 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.599 7.246 2.428 1.00 0.00 C ATOM 0 H VAL A 33 1.022 9.692 0.575 1.00 0.00 H new ATOM 0 HA VAL A 33 3.298 9.786 2.190 1.00 0.00 H new ATOM 0 HB VAL A 33 1.621 7.931 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.079 6.049 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.550 7.508 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.269 7.046 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.304 6.217 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.568 7.254 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.669 7.796 3.366 1.00 0.00 H new ATOM 581 N LEU A 34 3.889 9.674 -1.004 1.00 0.00 N ATOM 582 CA LEU A 34 4.940 9.777 -2.030 1.00 0.00 C ATOM 583 C LEU A 34 6.001 10.838 -1.720 1.00 0.00 C ATOM 584 O LEU A 34 7.140 10.707 -2.162 1.00 0.00 O ATOM 585 CB LEU A 34 4.346 10.075 -3.400 1.00 0.00 C ATOM 586 CG LEU A 34 3.489 8.990 -4.022 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.954 9.454 -5.363 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.296 7.719 -4.174 1.00 0.00 C ATOM 0 H LEU A 34 2.943 9.783 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 34 5.430 8.803 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.744 10.980 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.165 10.296 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 34 2.641 8.783 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.340 8.668 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.350 10.351 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.787 9.678 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.674 6.944 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.156 7.909 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.640 7.387 -3.194 1.00 0.00 H new ATOM 600 N GLU A 35 5.643 11.871 -0.975 1.00 0.00 N ATOM 601 CA GLU A 35 6.608 12.915 -0.670 1.00 0.00 C ATOM 602 C GLU A 35 7.261 12.680 0.693 1.00 0.00 C ATOM 603 O GLU A 35 8.217 13.368 1.065 1.00 0.00 O ATOM 604 CB GLU A 35 5.986 14.312 -0.757 1.00 0.00 C ATOM 605 CG GLU A 35 4.890 14.583 0.249 1.00 0.00 C ATOM 606 CD GLU A 35 4.337 15.971 0.129 1.00 0.00 C ATOM 607 OE1 GLU A 35 4.922 16.910 0.705 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.302 16.152 -0.551 1.00 0.00 O ATOM 0 H GLU A 35 4.714 12.009 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 35 7.389 12.866 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.774 15.054 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.582 14.453 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.086 13.861 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.280 14.436 1.256 1.00 0.00 H new ATOM 615 N SER A 36 6.757 11.713 1.426 1.00 0.00 N ATOM 616 CA SER A 36 7.284 11.366 2.733 1.00 0.00 C ATOM 617 C SER A 36 6.964 9.888 3.067 1.00 0.00 C ATOM 618 O SER A 36 6.200 9.617 3.966 1.00 0.00 O ATOM 619 CB SER A 36 6.695 12.320 3.797 1.00 0.00 C ATOM 620 OG SER A 36 5.259 12.335 3.738 1.00 0.00 O ATOM 0 H SER A 36 5.965 11.140 1.133 1.00 0.00 H new ATOM 0 HA SER A 36 8.368 11.478 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.018 12.007 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.079 13.328 3.639 1.00 0.00 H new ATOM 0 HG SER A 36 4.919 11.420 3.819 1.00 0.00 H new ATOM 626 N PRO A 37 7.502 8.913 2.296 1.00 0.00 N ATOM 627 CA PRO A 37 7.166 7.489 2.485 1.00 0.00 C ATOM 628 C PRO A 37 7.913 6.799 3.618 1.00 0.00 C ATOM 629 O PRO A 37 7.620 5.671 3.953 1.00 0.00 O ATOM 630 CB PRO A 37 7.524 6.881 1.131 1.00 0.00 C ATOM 631 CG PRO A 37 8.672 7.699 0.669 1.00 0.00 C ATOM 632 CD PRO A 37 8.365 9.105 1.102 1.00 0.00 C ATOM 0 HA PRO A 37 6.124 7.365 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.794 5.829 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.688 6.936 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.606 7.348 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.787 7.638 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.272 9.658 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.851 9.664 0.320 1.00 0.00 H new ATOM 640 N ARG A 38 8.823 7.493 4.230 1.00 0.00 N ATOM 641 CA ARG A 38 9.640 6.923 5.296 1.00 0.00 C ATOM 642 C ARG A 38 9.032 7.152 6.688 1.00 0.00 C ATOM 643 O ARG A 38 9.744 7.340 7.668 1.00 0.00 O ATOM 644 CB ARG A 38 11.100 7.428 5.167 1.00 0.00 C ATOM 645 CG ARG A 38 11.277 8.933 4.892 1.00 0.00 C ATOM 646 CD ARG A 38 10.968 9.819 6.091 1.00 0.00 C ATOM 647 NE ARG A 38 11.892 9.578 7.206 1.00 0.00 N ATOM 648 CZ ARG A 38 11.670 9.943 8.478 1.00 0.00 C ATOM 649 NH1 ARG A 38 10.563 10.622 8.802 1.00 0.00 N ATOM 650 NH2 ARG A 38 12.566 9.653 9.413 1.00 0.00 N ATOM 0 H ARG A 38 9.032 8.468 4.017 1.00 0.00 H new ATOM 0 HA ARG A 38 9.657 5.839 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.630 7.183 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.585 6.874 4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.303 9.116 4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.629 9.220 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.025 10.866 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.945 9.637 6.422 1.00 0.00 H new ATOM 0 HE ARG A 38 12.768 9.098 6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.884 10.864 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.399 10.897 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.420 9.154 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.401 9.929 10.381 1.00 0.00 H new ATOM 664 N ILE A 39 7.724 7.017 6.775 1.00 0.00 N ATOM 665 CA ILE A 39 7.003 7.282 8.011 1.00 0.00 C ATOM 666 C ILE A 39 7.063 6.071 8.947 1.00 0.00 C ATOM 667 O ILE A 39 6.479 5.019 8.663 1.00 0.00 O ATOM 668 CB ILE A 39 5.516 7.664 7.732 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.456 8.938 6.885 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.735 7.851 9.035 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.057 9.358 6.475 1.00 0.00 C ATOM 0 H ILE A 39 7.131 6.723 5.999 1.00 0.00 H new ATOM 0 HA ILE A 39 7.489 8.128 8.496 1.00 0.00 H new ATOM 0 HB ILE A 39 5.051 6.846 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.917 9.752 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.055 8.790 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.703 8.116 8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.753 6.923 9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.192 8.647 9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.111 10.269 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.597 8.565 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.457 9.543 7.366 1.00 0.00 H new ATOM 683 N GLU A 40 7.743 6.252 10.075 1.00 0.00 N ATOM 684 CA GLU A 40 7.957 5.195 11.080 1.00 0.00 C ATOM 685 C GLU A 40 6.642 4.642 11.608 1.00 0.00 C ATOM 686 O GLU A 40 6.517 3.449 11.904 1.00 0.00 O ATOM 687 CB GLU A 40 8.764 5.735 12.271 1.00 0.00 C ATOM 688 CG GLU A 40 8.134 6.948 12.938 1.00 0.00 C ATOM 689 CD GLU A 40 8.560 7.109 14.357 1.00 0.00 C ATOM 690 OE1 GLU A 40 7.934 6.473 15.241 1.00 0.00 O ATOM 691 OE2 GLU A 40 9.497 7.873 14.633 1.00 0.00 O ATOM 0 H GLU A 40 8.169 7.144 10.328 1.00 0.00 H new ATOM 0 HA GLU A 40 8.506 4.396 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.877 4.943 13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.765 5.998 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.401 7.845 12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.049 6.858 12.897 1.00 0.00 H new ATOM 698 N ALA A 41 5.666 5.517 11.678 1.00 0.00 N ATOM 699 CA ALA A 41 4.368 5.220 12.244 1.00 0.00 C ATOM 700 C ALA A 41 3.584 4.276 11.372 1.00 0.00 C ATOM 701 O ALA A 41 2.699 3.570 11.844 1.00 0.00 O ATOM 702 CB ALA A 41 3.596 6.500 12.449 1.00 0.00 C ATOM 0 H ALA A 41 5.752 6.474 11.337 1.00 0.00 H new ATOM 0 HA ALA A 41 4.524 4.729 13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.619 6.271 12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.145 7.151 13.129 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.465 7.003 11.491 1.00 0.00 H new ATOM 708 N ASN A 42 3.919 4.248 10.113 1.00 0.00 N ATOM 709 CA ASN A 42 3.208 3.424 9.173 1.00 0.00 C ATOM 710 C ASN A 42 3.992 2.179 8.836 1.00 0.00 C ATOM 711 O ASN A 42 3.463 1.272 8.239 1.00 0.00 O ATOM 712 CB ASN A 42 2.880 4.195 7.877 1.00 0.00 C ATOM 713 CG ASN A 42 1.870 5.323 8.060 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.991 5.267 8.921 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.983 6.351 7.250 1.00 0.00 N ATOM 0 H ASN A 42 4.684 4.789 9.711 1.00 0.00 H new ATOM 0 HA ASN A 42 2.272 3.135 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.802 4.610 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.494 3.493 7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.332 7.133 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.722 6.368 6.547 1.00 0.00 H new ATOM 722 N LYS A 43 5.246 2.129 9.219 1.00 0.00 N ATOM 723 CA LYS A 43 6.094 1.038 8.866 1.00 0.00 C ATOM 724 C LYS A 43 5.637 -0.272 9.519 1.00 0.00 C ATOM 725 O LYS A 43 5.159 -0.278 10.660 1.00 0.00 O ATOM 726 CB LYS A 43 7.515 1.377 9.241 1.00 0.00 C ATOM 727 CG LYS A 43 8.485 0.667 8.379 1.00 0.00 C ATOM 728 CD LYS A 43 9.898 1.124 8.617 1.00 0.00 C ATOM 729 CE LYS A 43 10.832 0.487 7.603 1.00 0.00 C ATOM 730 NZ LYS A 43 12.232 0.887 7.796 1.00 0.00 N ATOM 0 H LYS A 43 5.698 2.848 9.784 1.00 0.00 H new ATOM 0 HA LYS A 43 6.036 0.880 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.669 2.453 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.691 1.112 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.416 -0.405 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.224 0.828 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.954 2.210 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.209 0.857 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.755 -0.598 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.514 0.764 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.765 0.719 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.274 1.897 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.650 0.328 8.567 1.00 0.00 H new ATOM 744 N LEU A 44 5.758 -1.370 8.782 1.00 0.00 N ATOM 745 CA LEU A 44 5.333 -2.672 9.276 1.00 0.00 C ATOM 746 C LEU A 44 6.267 -3.216 10.353 1.00 0.00 C ATOM 747 O LEU A 44 7.373 -2.698 10.553 1.00 0.00 O ATOM 748 CB LEU A 44 5.170 -3.697 8.142 1.00 0.00 C ATOM 749 CG LEU A 44 4.079 -3.410 7.102 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.962 -4.558 6.129 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.744 -3.160 7.768 1.00 0.00 C ATOM 0 H LEU A 44 6.147 -1.383 7.839 1.00 0.00 H new ATOM 0 HA LEU A 44 4.355 -2.514 9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.123 -3.781 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.965 -4.669 8.590 1.00 0.00 H new ATOM 0 HG LEU A 44 4.365 -2.510 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.184 -4.338 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.913 -4.698 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.705 -5.469 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.990 -2.959 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.454 -4.039 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.825 -2.301 8.434 1.00 0.00 H new ATOM 763 N ARG A 45 5.808 -4.277 11.014 1.00 0.00 N ATOM 764 CA ARG A 45 6.515 -4.925 12.123 1.00 0.00 C ATOM 765 C ARG A 45 7.897 -5.412 11.687 1.00 0.00 C ATOM 766 O ARG A 45 8.894 -5.212 12.381 1.00 0.00 O ATOM 767 CB ARG A 45 5.693 -6.119 12.604 1.00 0.00 C ATOM 768 CG ARG A 45 6.271 -6.859 13.799 1.00 0.00 C ATOM 769 CD ARG A 45 5.523 -8.159 14.026 1.00 0.00 C ATOM 770 NE ARG A 45 5.705 -9.082 12.890 1.00 0.00 N ATOM 771 CZ ARG A 45 4.722 -9.760 12.265 1.00 0.00 C ATOM 772 NH1 ARG A 45 3.463 -9.661 12.676 1.00 0.00 N ATOM 773 NH2 ARG A 45 5.011 -10.552 11.238 1.00 0.00 N ATOM 0 H ARG A 45 4.917 -4.721 10.791 1.00 0.00 H new ATOM 0 HA ARG A 45 6.644 -4.198 12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.692 -5.772 12.860 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.585 -6.822 11.778 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.328 -7.064 13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.205 -6.233 14.689 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.878 -8.631 14.942 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.462 -7.952 14.164 1.00 0.00 H new ATOM 0 HE ARG A 45 6.656 -9.219 12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.232 -9.067 13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.727 -10.179 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.976 -10.647 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.267 -11.065 10.765 1.00 0.00 H new ATOM 787 N GLY A 46 7.939 -6.056 10.556 1.00 0.00 N ATOM 788 CA GLY A 46 9.168 -6.565 10.046 1.00 0.00 C ATOM 789 C GLY A 46 8.999 -7.022 8.640 1.00 0.00 C ATOM 790 O GLY A 46 8.680 -8.183 8.396 1.00 0.00 O ATOM 0 H GLY A 46 7.125 -6.239 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.936 -5.793 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.510 -7.394 10.665 1.00 0.00 H new ATOM 794 N MET A 47 9.157 -6.102 7.725 1.00 0.00 N ATOM 795 CA MET A 47 9.012 -6.340 6.301 1.00 0.00 C ATOM 796 C MET A 47 9.952 -5.397 5.581 1.00 0.00 C ATOM 797 O MET A 47 10.157 -4.284 6.074 1.00 0.00 O ATOM 798 CB MET A 47 7.573 -6.060 5.846 1.00 0.00 C ATOM 799 CG MET A 47 6.528 -7.064 6.312 1.00 0.00 C ATOM 800 SD MET A 47 6.783 -8.716 5.636 1.00 0.00 S ATOM 801 CE MET A 47 6.656 -8.377 3.883 1.00 0.00 C ATOM 0 H MET A 47 9.397 -5.136 7.950 1.00 0.00 H new ATOM 0 HA MET A 47 9.245 -7.381 6.076 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.285 -5.071 6.202 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.556 -6.024 4.757 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.544 -7.117 7.401 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.538 -6.709 6.025 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.029 -9.133 3.411 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.212 -7.393 3.734 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.650 -8.399 3.435 1.00 0.00 H new ATOM 811 N PRO A 48 10.544 -5.809 4.426 1.00 0.00 N ATOM 812 CA PRO A 48 11.510 -4.981 3.662 1.00 0.00 C ATOM 813 C PRO A 48 10.952 -3.619 3.218 1.00 0.00 C ATOM 814 O PRO A 48 10.331 -3.502 2.139 1.00 0.00 O ATOM 815 CB PRO A 48 11.855 -5.846 2.442 1.00 0.00 C ATOM 816 CG PRO A 48 11.544 -7.235 2.873 1.00 0.00 C ATOM 817 CD PRO A 48 10.348 -7.122 3.773 1.00 0.00 C ATOM 0 HA PRO A 48 12.369 -4.724 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.265 -5.559 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.904 -5.742 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.330 -7.873 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.389 -7.681 3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.415 -7.157 3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.313 -7.933 4.500 1.00 0.00 H new ATOM 825 N ASP A 49 11.126 -2.619 4.093 1.00 0.00 N ATOM 826 CA ASP A 49 10.666 -1.230 3.892 1.00 0.00 C ATOM 827 C ASP A 49 9.225 -1.168 3.440 1.00 0.00 C ATOM 828 O ASP A 49 8.864 -0.432 2.515 1.00 0.00 O ATOM 829 CB ASP A 49 11.592 -0.407 2.974 1.00 0.00 C ATOM 830 CG ASP A 49 12.935 -0.090 3.612 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.007 0.049 4.873 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.938 0.068 2.874 1.00 0.00 O ATOM 0 H ASP A 49 11.603 -2.753 4.985 1.00 0.00 H new ATOM 0 HA ASP A 49 10.719 -0.757 4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.757 -0.957 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.094 0.525 2.707 1.00 0.00 H new ATOM 837 N CYS A 50 8.401 -1.949 4.091 1.00 0.00 N ATOM 838 CA CYS A 50 7.000 -1.981 3.786 1.00 0.00 C ATOM 839 C CYS A 50 6.240 -1.175 4.824 1.00 0.00 C ATOM 840 O CYS A 50 6.591 -1.188 6.021 1.00 0.00 O ATOM 841 CB CYS A 50 6.502 -3.418 3.744 1.00 0.00 C ATOM 842 SG CYS A 50 7.418 -4.494 2.610 1.00 0.00 S ATOM 0 H CYS A 50 8.684 -2.577 4.844 1.00 0.00 H new ATOM 0 HA CYS A 50 6.832 -1.539 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.557 -3.838 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.451 -3.417 3.456 1.00 0.00 H new ATOM 0 HG CYS A 50 8.601 -3.997 2.400 1.00 0.00 H new ATOM 848 N TYR A 51 5.230 -0.478 4.383 1.00 0.00 N ATOM 849 CA TYR A 51 4.462 0.391 5.238 1.00 0.00 C ATOM 850 C TYR A 51 2.979 0.096 5.044 1.00 0.00 C ATOM 851 O TYR A 51 2.581 -0.507 4.031 1.00 0.00 O ATOM 852 CB TYR A 51 4.756 1.883 4.933 1.00 0.00 C ATOM 853 CG TYR A 51 6.223 2.314 5.050 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.150 1.959 4.084 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.666 3.084 6.111 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.471 2.346 4.170 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.995 3.479 6.204 1.00 0.00 C ATOM 858 CZ TYR A 51 8.889 3.102 5.226 1.00 0.00 C ATOM 859 OH TYR A 51 10.213 3.492 5.306 1.00 0.00 O ATOM 0 H TYR A 51 4.912 -0.495 3.414 1.00 0.00 H new ATOM 0 HA TYR A 51 4.745 0.204 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.413 2.102 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.162 2.496 5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.830 1.364 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.968 3.383 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.173 2.051 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.326 4.079 7.039 1.00 0.00 H new ATOM 0 HH TYR A 51 10.581 3.586 4.403 1.00 0.00 H new ATOM 869 N LYS A 52 2.193 0.517 5.992 1.00 0.00 N ATOM 870 CA LYS A 52 0.778 0.277 6.027 1.00 0.00 C ATOM 871 C LYS A 52 0.042 1.609 5.935 1.00 0.00 C ATOM 872 O LYS A 52 0.616 2.669 6.192 1.00 0.00 O ATOM 873 CB LYS A 52 0.400 -0.379 7.389 1.00 0.00 C ATOM 874 CG LYS A 52 0.395 0.621 8.571 1.00 0.00 C ATOM 875 CD LYS A 52 0.224 -0.021 9.943 1.00 0.00 C ATOM 876 CE LYS A 52 1.479 -0.752 10.388 1.00 0.00 C ATOM 877 NZ LYS A 52 1.379 -1.206 11.785 1.00 0.00 N ATOM 0 H LYS A 52 2.531 1.055 6.790 1.00 0.00 H new ATOM 0 HA LYS A 52 0.504 -0.375 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.587 -0.834 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.104 -1.182 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.330 1.181 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.409 1.341 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.027 0.747 10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.612 -0.720 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.650 -1.610 9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.341 -0.094 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.254 -1.700 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.241 -0.385 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.571 -1.854 11.882 1.00 0.00 H new ATOM 891 N ILE A 53 -1.182 1.546 5.536 1.00 0.00 N ATOM 892 CA ILE A 53 -2.084 2.658 5.628 1.00 0.00 C ATOM 893 C ILE A 53 -3.326 2.137 6.292 1.00 0.00 C ATOM 894 O ILE A 53 -3.801 1.048 5.949 1.00 0.00 O ATOM 895 CB ILE A 53 -2.475 3.272 4.250 1.00 0.00 C ATOM 896 CG1 ILE A 53 -1.239 3.757 3.504 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.468 4.436 4.440 1.00 0.00 C ATOM 898 CD1 ILE A 53 -1.534 4.306 2.129 1.00 0.00 C ATOM 0 H ILE A 53 -1.598 0.708 5.128 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.591 3.456 6.183 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.954 2.493 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.749 4.530 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.534 2.931 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.730 4.853 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.369 4.069 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.008 5.210 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.605 4.631 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.996 3.530 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.214 5.154 2.214 1.00 0.00 H new ATOM 910 N LYS A 54 -3.817 2.858 7.244 1.00 0.00 N ATOM 911 CA LYS A 54 -5.022 2.496 7.910 1.00 0.00 C ATOM 912 C LYS A 54 -6.029 3.576 7.637 1.00 0.00 C ATOM 913 O LYS A 54 -5.755 4.759 7.862 1.00 0.00 O ATOM 914 CB LYS A 54 -4.843 2.208 9.433 1.00 0.00 C ATOM 915 CG LYS A 54 -4.337 3.355 10.301 1.00 0.00 C ATOM 916 CD LYS A 54 -2.857 3.659 10.107 1.00 0.00 C ATOM 917 CE LYS A 54 -2.495 4.876 10.896 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.077 5.275 10.739 1.00 0.00 N ATOM 0 H LYS A 54 -3.390 3.720 7.583 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.373 1.543 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.804 1.881 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.152 1.372 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.916 4.251 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.515 3.113 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.254 2.810 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.642 3.819 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.134 5.703 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.699 4.691 11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.979 6.292 10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.489 4.738 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.766 5.075 9.767 1.00 0.00 H new ATOM 932 N LEU A 55 -7.144 3.197 7.085 1.00 0.00 N ATOM 933 CA LEU A 55 -8.135 4.151 6.679 1.00 0.00 C ATOM 934 C LEU A 55 -8.858 4.724 7.885 1.00 0.00 C ATOM 935 O LEU A 55 -9.211 4.001 8.817 1.00 0.00 O ATOM 936 CB LEU A 55 -9.118 3.523 5.696 1.00 0.00 C ATOM 937 CG LEU A 55 -9.961 4.492 4.875 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.067 5.332 4.016 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.944 3.732 4.022 1.00 0.00 C ATOM 0 H LEU A 55 -7.392 2.224 6.904 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.630 4.973 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.557 2.889 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.791 2.871 6.254 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.519 5.142 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.671 6.024 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.380 5.895 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.498 4.689 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.540 4.435 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.403 3.069 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.600 3.142 4.661 1.00 0.00 H new ATOM 951 N ARG A 56 -9.044 6.021 7.862 1.00 0.00 N ATOM 952 CA ARG A 56 -9.679 6.750 8.943 1.00 0.00 C ATOM 953 C ARG A 56 -11.168 6.400 9.091 1.00 0.00 C ATOM 954 O ARG A 56 -11.670 6.268 10.203 1.00 0.00 O ATOM 955 CB ARG A 56 -9.509 8.261 8.711 1.00 0.00 C ATOM 956 CG ARG A 56 -10.166 9.151 9.761 1.00 0.00 C ATOM 957 CD ARG A 56 -9.572 8.936 11.137 1.00 0.00 C ATOM 958 NE ARG A 56 -10.201 9.798 12.142 1.00 0.00 N ATOM 959 CZ ARG A 56 -9.765 9.954 13.393 1.00 0.00 C ATOM 960 NH1 ARG A 56 -8.713 9.281 13.816 1.00 0.00 N ATOM 961 NH2 ARG A 56 -10.401 10.767 14.225 1.00 0.00 N ATOM 0 H ARG A 56 -8.756 6.612 7.082 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.190 6.457 9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.444 8.491 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.921 8.512 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.049 10.196 9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.236 8.946 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.693 7.892 11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.501 9.136 11.106 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.034 10.317 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.231 8.640 13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.381 9.402 14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.227 11.276 13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.065 10.884 15.181 1.00 0.00 H new ATOM 975 N SER A 57 -11.849 6.253 7.989 1.00 0.00 N ATOM 976 CA SER A 57 -13.268 6.020 8.005 1.00 0.00 C ATOM 977 C SER A 57 -13.626 4.538 8.200 1.00 0.00 C ATOM 978 O SER A 57 -14.255 4.159 9.196 1.00 0.00 O ATOM 979 CB SER A 57 -13.841 6.566 6.713 1.00 0.00 C ATOM 980 OG SER A 57 -13.029 6.148 5.619 1.00 0.00 O ATOM 0 H SER A 57 -11.438 6.291 7.056 1.00 0.00 H new ATOM 0 HA SER A 57 -13.705 6.534 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.863 6.212 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.884 7.654 6.753 1.00 0.00 H new ATOM 0 HG SER A 57 -12.662 6.935 5.165 1.00 0.00 H new ATOM 986 N SER A 58 -13.241 3.717 7.255 1.00 0.00 N ATOM 987 CA SER A 58 -13.543 2.309 7.305 1.00 0.00 C ATOM 988 C SER A 58 -12.296 1.522 7.682 1.00 0.00 C ATOM 989 O SER A 58 -11.181 2.024 7.531 1.00 0.00 O ATOM 990 CB SER A 58 -14.071 1.871 5.948 1.00 0.00 C ATOM 991 OG SER A 58 -15.154 2.703 5.554 1.00 0.00 O ATOM 0 H SER A 58 -12.711 4.005 6.432 1.00 0.00 H new ATOM 0 HA SER A 58 -14.303 2.117 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.275 1.922 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.398 0.832 5.994 1.00 0.00 H new ATOM 0 HG SER A 58 -15.486 2.415 4.678 1.00 0.00 H new ATOM 997 N GLY A 59 -12.480 0.299 8.146 1.00 0.00 N ATOM 998 CA GLY A 59 -11.371 -0.528 8.561 1.00 0.00 C ATOM 999 C GLY A 59 -10.659 -1.172 7.391 1.00 0.00 C ATOM 1000 O GLY A 59 -10.676 -2.387 7.229 1.00 0.00 O ATOM 0 H GLY A 59 -13.395 -0.142 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.662 0.077 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.733 -1.305 9.234 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.061 -0.362 6.576 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.310 -0.828 5.447 1.00 0.00 C ATOM 1006 C TYR A 60 -7.856 -0.509 5.618 1.00 0.00 C ATOM 1007 O TYR A 60 -7.494 0.562 6.125 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.853 -0.280 4.131 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.017 -1.077 3.596 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.311 -0.899 4.073 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -10.810 -2.025 2.612 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.358 -1.653 3.576 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -11.843 -2.773 2.110 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.111 -2.590 2.591 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.133 -3.359 2.097 1.00 0.00 O ATOM 0 H TYR A 60 -10.079 0.653 6.674 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.419 -1.911 5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.164 0.755 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.054 -0.272 3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.500 -0.163 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.812 -2.180 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.360 -1.511 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.657 -3.504 1.337 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.941 -3.600 1.167 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.035 -1.443 5.238 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.623 -1.349 5.386 1.00 0.00 C ATOM 1027 C ARG A 61 -4.948 -1.632 4.061 1.00 0.00 C ATOM 1028 O ARG A 61 -5.352 -2.531 3.319 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.179 -2.334 6.460 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.756 -2.000 7.824 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.569 -3.118 8.810 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.029 -2.722 10.150 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.269 -3.541 11.184 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -6.212 -4.866 11.044 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.616 -3.023 12.349 1.00 0.00 N ATOM 0 H ARG A 61 -7.344 -2.313 4.805 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.338 -0.343 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.485 -3.341 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.091 -2.337 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.280 -1.097 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.819 -1.781 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.121 -3.997 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.517 -3.399 8.851 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.180 -1.726 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.982 -5.274 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.398 -5.472 11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.698 -2.012 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.802 -3.634 13.144 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.959 -0.862 3.758 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.230 -0.991 2.521 1.00 0.00 C ATOM 1051 C LEU A 62 -1.767 -1.225 2.866 1.00 0.00 C ATOM 1052 O LEU A 62 -1.252 -0.598 3.787 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.453 0.301 1.678 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.913 0.352 0.227 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.566 1.492 -0.525 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.423 0.566 0.207 1.00 0.00 C ATOM 0 H LEU A 62 -3.622 -0.113 4.363 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.575 -1.833 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.526 0.486 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.007 1.132 2.225 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.145 -0.603 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.182 1.522 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.645 1.342 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.341 2.434 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.074 0.597 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.184 1.509 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.931 -0.253 0.732 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.125 -2.153 2.177 1.00 0.00 N ATOM 1069 CA VAL A 63 0.272 -2.474 2.422 1.00 0.00 C ATOM 1070 C VAL A 63 1.091 -2.346 1.141 1.00 0.00 C ATOM 1071 O VAL A 63 0.745 -2.923 0.092 1.00 0.00 O ATOM 1072 CB VAL A 63 0.443 -3.896 3.036 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.913 -4.287 3.128 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.187 -3.946 4.415 1.00 0.00 C ATOM 0 H VAL A 63 -1.555 -2.704 1.434 1.00 0.00 H new ATOM 0 HA VAL A 63 0.644 -1.753 3.150 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.059 -4.607 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.998 -5.284 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.353 -4.285 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.441 -3.572 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.062 -4.944 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.297 -3.216 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.249 -3.715 4.338 1.00 0.00 H new ATOM 1084 N TYR A 64 2.160 -1.605 1.226 1.00 0.00 N ATOM 1085 CA TYR A 64 3.024 -1.375 0.101 1.00 0.00 C ATOM 1086 C TYR A 64 4.464 -1.461 0.527 1.00 0.00 C ATOM 1087 O TYR A 64 4.773 -1.305 1.712 1.00 0.00 O ATOM 1088 CB TYR A 64 2.743 0.008 -0.531 1.00 0.00 C ATOM 1089 CG TYR A 64 2.825 1.177 0.429 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.039 1.667 0.895 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.681 1.783 0.862 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.083 2.721 1.768 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.717 2.834 1.723 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.913 3.301 2.181 1.00 0.00 C ATOM 1095 OH TYR A 64 2.937 4.332 3.073 1.00 0.00 O ATOM 0 H TYR A 64 2.459 -1.140 2.083 1.00 0.00 H new ATOM 0 HA TYR A 64 2.826 -2.144 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.453 0.172 -1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.749 -0.008 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.960 1.210 0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.726 1.419 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.032 3.092 2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.797 3.300 2.045 1.00 0.00 H new ATOM 0 HH TYR A 64 2.021 4.627 3.257 1.00 0.00 H new ATOM 1105 N GLN A 65 5.325 -1.708 -0.409 1.00 0.00 N ATOM 1106 CA GLN A 65 6.728 -1.674 -0.154 1.00 0.00 C ATOM 1107 C GLN A 65 7.291 -0.459 -0.825 1.00 0.00 C ATOM 1108 O GLN A 65 6.935 -0.143 -1.969 1.00 0.00 O ATOM 1109 CB GLN A 65 7.464 -2.939 -0.630 1.00 0.00 C ATOM 1110 CG GLN A 65 7.325 -3.254 -2.118 1.00 0.00 C ATOM 1111 CD GLN A 65 8.185 -4.427 -2.568 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.355 -4.582 -1.982 1.00 0.00 O flip ATOM 1113 NE2 GLN A 65 7.816 -5.163 -3.478 1.00 0.00 N flip ATOM 0 H GLN A 65 5.074 -1.939 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 65 6.877 -1.634 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.523 -2.833 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.095 -3.791 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.280 -3.472 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.596 -2.371 -2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.905 -5.019 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.421 -5.919 -3.800 1.00 0.00 H new ATOM 1122 N VAL A 66 8.096 0.259 -0.134 1.00 0.00 N ATOM 1123 CA VAL A 66 8.731 1.372 -0.732 1.00 0.00 C ATOM 1124 C VAL A 66 10.023 0.891 -1.298 1.00 0.00 C ATOM 1125 O VAL A 66 10.919 0.469 -0.566 1.00 0.00 O ATOM 1126 CB VAL A 66 8.966 2.535 0.261 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.696 3.686 -0.416 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.644 3.019 0.817 1.00 0.00 C ATOM 0 H VAL A 66 8.331 0.096 0.845 1.00 0.00 H new ATOM 0 HA VAL A 66 8.084 1.779 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 66 9.586 2.166 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.850 4.492 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.661 3.338 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.100 4.053 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.821 3.838 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.012 3.368 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.146 2.200 1.337 1.00 0.00 H new ATOM 1138 N ILE A 67 10.102 0.882 -2.583 1.00 0.00 N ATOM 1139 CA ILE A 67 11.281 0.464 -3.233 1.00 0.00 C ATOM 1140 C ILE A 67 12.110 1.694 -3.445 1.00 0.00 C ATOM 1141 O ILE A 67 11.909 2.445 -4.415 1.00 0.00 O ATOM 1142 CB ILE A 67 10.985 -0.213 -4.599 1.00 0.00 C ATOM 1143 CG1 ILE A 67 9.969 -1.353 -4.425 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.277 -0.750 -5.215 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.549 -2.005 -5.729 1.00 0.00 C ATOM 0 H ILE A 67 9.347 1.166 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 67 11.797 -0.278 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 67 10.559 0.534 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.398 -2.113 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.083 -0.964 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.055 -1.222 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.976 0.072 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.723 -1.484 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.831 -2.799 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.089 -1.259 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.424 -2.426 -6.224 1.00 0.00 H new ATOM 1157 N ASP A 68 13.013 1.926 -2.532 1.00 0.00 N ATOM 1158 CA ASP A 68 13.886 3.085 -2.589 1.00 0.00 C ATOM 1159 C ASP A 68 14.860 2.961 -3.720 1.00 0.00 C ATOM 1160 O ASP A 68 15.349 3.959 -4.236 1.00 0.00 O ATOM 1161 CB ASP A 68 14.627 3.321 -1.269 1.00 0.00 C ATOM 1162 CG ASP A 68 13.974 4.363 -0.396 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.212 5.575 -0.642 1.00 0.00 O ATOM 1164 OD2 ASP A 68 13.263 4.014 0.571 1.00 0.00 O ATOM 0 H ASP A 68 13.171 1.323 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 68 13.250 3.953 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.685 2.381 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.651 3.627 -1.485 1.00 0.00 H new ATOM 1169 N GLU A 69 15.096 1.725 -4.135 1.00 0.00 N ATOM 1170 CA GLU A 69 16.017 1.423 -5.216 1.00 0.00 C ATOM 1171 C GLU A 69 15.513 2.037 -6.528 1.00 0.00 C ATOM 1172 O GLU A 69 16.282 2.569 -7.318 1.00 0.00 O ATOM 1173 CB GLU A 69 16.130 -0.094 -5.426 1.00 0.00 C ATOM 1174 CG GLU A 69 16.255 -0.941 -4.163 1.00 0.00 C ATOM 1175 CD GLU A 69 17.319 -0.469 -3.213 1.00 0.00 C ATOM 1176 OE1 GLU A 69 18.511 -0.625 -3.513 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.969 0.076 -2.146 1.00 0.00 O ATOM 0 H GLU A 69 14.651 0.902 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 69 16.988 1.837 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.252 -0.430 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.997 -0.289 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.296 -0.946 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.468 -1.971 -4.448 1.00 0.00 H new ATOM 1184 N LYS A 70 14.209 1.961 -6.739 1.00 0.00 N ATOM 1185 CA LYS A 70 13.607 2.433 -7.980 1.00 0.00 C ATOM 1186 C LYS A 70 12.838 3.724 -7.762 1.00 0.00 C ATOM 1187 O LYS A 70 12.301 4.300 -8.706 1.00 0.00 O ATOM 1188 CB LYS A 70 12.690 1.360 -8.586 1.00 0.00 C ATOM 1189 CG LYS A 70 13.403 0.086 -8.996 1.00 0.00 C ATOM 1190 CD LYS A 70 12.435 -0.928 -9.588 1.00 0.00 C ATOM 1191 CE LYS A 70 13.147 -2.209 -10.014 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.177 -1.962 -11.047 1.00 0.00 N ATOM 0 H LYS A 70 13.544 1.577 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 70 14.415 2.634 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.914 1.111 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.189 1.778 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.178 0.320 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.902 -0.348 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.665 -1.167 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.930 -0.489 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.612 -2.670 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.414 -2.919 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.501 -2.870 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.772 -1.381 -11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.983 -1.461 -10.621 1.00 0.00 H new ATOM 1206 N VAL A 71 12.806 4.175 -6.506 1.00 0.00 N ATOM 1207 CA VAL A 71 12.112 5.407 -6.092 1.00 0.00 C ATOM 1208 C VAL A 71 10.585 5.251 -6.360 1.00 0.00 C ATOM 1209 O VAL A 71 9.886 6.181 -6.771 1.00 0.00 O ATOM 1210 CB VAL A 71 12.721 6.678 -6.820 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.186 7.984 -6.236 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.249 6.668 -6.755 1.00 0.00 C ATOM 0 H VAL A 71 13.266 3.692 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 71 12.259 5.565 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 71 12.408 6.622 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.630 8.828 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.102 8.015 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.444 8.042 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.641 7.550 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.569 6.676 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.628 5.771 -7.244 1.00 0.00 H new ATOM 1222 N VAL A 72 10.071 4.079 -6.065 1.00 0.00 N ATOM 1223 CA VAL A 72 8.679 3.784 -6.311 1.00 0.00 C ATOM 1224 C VAL A 72 8.057 3.082 -5.105 1.00 0.00 C ATOM 1225 O VAL A 72 8.685 2.254 -4.451 1.00 0.00 O ATOM 1226 CB VAL A 72 8.500 2.918 -7.614 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.216 1.591 -7.499 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.027 2.699 -7.959 1.00 0.00 C ATOM 0 H VAL A 72 10.600 3.311 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 72 8.159 4.729 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 72 8.952 3.484 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.072 1.019 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.281 1.764 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.812 1.032 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.951 2.097 -8.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.534 2.181 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.544 3.663 -8.123 1.00 0.00 H new ATOM 1238 N VAL A 73 6.870 3.465 -4.798 1.00 0.00 N ATOM 1239 CA VAL A 73 6.088 2.861 -3.781 1.00 0.00 C ATOM 1240 C VAL A 73 5.192 1.840 -4.470 1.00 0.00 C ATOM 1241 O VAL A 73 4.350 2.195 -5.308 1.00 0.00 O ATOM 1242 CB VAL A 73 5.244 3.935 -3.051 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.342 3.316 -2.012 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.148 4.980 -2.408 1.00 0.00 C ATOM 0 H VAL A 73 6.399 4.238 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 73 6.713 2.378 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 73 4.615 4.422 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.764 4.098 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.663 2.612 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.946 2.790 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.537 5.726 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.806 4.497 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.748 5.465 -3.178 1.00 0.00 H new ATOM 1254 N PHE A 74 5.399 0.597 -4.158 1.00 0.00 N ATOM 1255 CA PHE A 74 4.727 -0.484 -4.828 1.00 0.00 C ATOM 1256 C PHE A 74 3.726 -1.141 -3.896 1.00 0.00 C ATOM 1257 O PHE A 74 4.107 -1.761 -2.899 1.00 0.00 O ATOM 1258 CB PHE A 74 5.785 -1.486 -5.312 1.00 0.00 C ATOM 1259 CG PHE A 74 5.267 -2.646 -6.110 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.848 -2.468 -7.413 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.234 -3.921 -5.563 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.401 -3.535 -8.160 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.784 -4.992 -6.304 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.370 -4.799 -7.607 1.00 0.00 C ATOM 0 H PHE A 74 6.043 0.298 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 74 4.170 -0.109 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.516 -0.950 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.315 -1.875 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.871 -1.481 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.564 -4.075 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.075 -3.383 -9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.755 -5.979 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.022 -5.637 -8.193 1.00 0.00 H new ATOM 1274 N VAL A 75 2.457 -0.976 -4.201 1.00 0.00 N ATOM 1275 CA VAL A 75 1.387 -1.550 -3.403 1.00 0.00 C ATOM 1276 C VAL A 75 1.309 -3.041 -3.667 1.00 0.00 C ATOM 1277 O VAL A 75 1.136 -3.465 -4.809 1.00 0.00 O ATOM 1278 CB VAL A 75 0.015 -0.876 -3.696 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.093 -1.471 -2.825 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.105 0.632 -3.485 1.00 0.00 C ATOM 0 H VAL A 75 2.135 -0.441 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 75 1.614 -1.371 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.237 -1.070 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.039 -0.979 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.181 -2.539 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.850 -1.320 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.863 1.087 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.388 0.839 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.855 1.049 -4.157 1.00 0.00 H new ATOM 1290 N ILE A 76 1.449 -3.820 -2.619 1.00 0.00 N ATOM 1291 CA ILE A 76 1.485 -5.265 -2.743 1.00 0.00 C ATOM 1292 C ILE A 76 0.092 -5.842 -2.530 1.00 0.00 C ATOM 1293 O ILE A 76 -0.343 -6.737 -3.255 1.00 0.00 O ATOM 1294 CB ILE A 76 2.446 -5.882 -1.692 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.817 -5.195 -1.749 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.600 -7.389 -1.929 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.766 -5.626 -0.652 1.00 0.00 C ATOM 0 H ILE A 76 1.541 -3.477 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 76 1.840 -5.509 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 76 2.019 -5.725 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.276 -5.403 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.674 -4.116 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.277 -7.807 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.626 -7.872 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.006 -7.561 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.712 -5.096 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.329 -5.393 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.941 -6.700 -0.723 1.00 0.00 H new ATOM 1309 N SER A 77 -0.609 -5.314 -1.545 1.00 0.00 N ATOM 1310 CA SER A 77 -1.923 -5.784 -1.224 1.00 0.00 C ATOM 1311 C SER A 77 -2.694 -4.661 -0.552 1.00 0.00 C ATOM 1312 O SER A 77 -2.099 -3.750 0.047 1.00 0.00 O ATOM 1313 CB SER A 77 -1.837 -7.025 -0.304 1.00 0.00 C ATOM 1314 OG SER A 77 -3.115 -7.620 -0.099 1.00 0.00 O ATOM 0 H SER A 77 -0.277 -4.552 -0.954 1.00 0.00 H new ATOM 0 HA SER A 77 -2.444 -6.081 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.161 -7.758 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.412 -6.736 0.657 1.00 0.00 H new ATOM 0 HG SER A 77 -3.022 -8.401 0.485 1.00 0.00 H new ATOM 1320 N VAL A 78 -3.986 -4.708 -0.665 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.857 -3.720 -0.101 1.00 0.00 C ATOM 1322 C VAL A 78 -6.163 -4.401 0.266 1.00 0.00 C ATOM 1323 O VAL A 78 -6.560 -5.362 -0.402 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.099 -2.543 -1.117 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.714 -3.033 -2.422 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -5.951 -1.443 -0.510 1.00 0.00 C ATOM 0 H VAL A 78 -4.476 -5.451 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.403 -3.284 0.789 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.118 -2.126 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.864 -2.188 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.045 -3.755 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.674 -3.507 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.096 -0.649 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.920 -1.851 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.450 -1.039 0.370 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.776 -3.993 1.350 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.053 -4.536 1.684 1.00 0.00 C ATOM 1338 C GLY A 79 -8.278 -4.598 3.160 1.00 0.00 C ATOM 1339 O GLY A 79 -7.919 -3.681 3.891 1.00 0.00 O ATOM 0 H GLY A 79 -6.412 -3.298 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.834 -3.929 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.140 -5.538 1.264 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.867 -5.652 3.601 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.143 -5.837 4.988 1.00 0.00 C ATOM 1345 C LYS A 80 -8.222 -6.881 5.554 1.00 0.00 C ATOM 1346 O LYS A 80 -8.481 -8.077 5.473 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.608 -6.189 5.209 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.559 -5.054 4.850 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.020 -5.448 4.999 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.429 -6.525 4.004 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.323 -6.074 2.597 1.00 0.00 N ATOM 0 H LYS A 80 -9.176 -6.421 3.006 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.960 -4.902 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.858 -7.066 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.756 -6.461 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.351 -4.195 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.374 -4.741 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.196 -5.807 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.648 -4.568 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.801 -7.404 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.455 -6.830 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.950 -6.650 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.604 -5.075 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.341 -6.180 2.271 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.116 -6.414 6.048 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.110 -7.251 6.619 1.00 0.00 C ATOM 1367 C ALA A 81 -6.349 -7.380 8.091 1.00 0.00 C ATOM 1368 O ALA A 81 -6.232 -6.388 8.812 1.00 0.00 O ATOM 1369 CB ALA A 81 -4.765 -6.619 6.400 1.00 0.00 C ATOM 0 H ALA A 81 -6.885 -5.421 6.065 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.143 -8.235 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.991 -7.252 6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.586 -6.507 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.741 -5.639 6.877 1.00 0.00 H new ATOM 1375 N GLU A 82 -6.679 -8.566 8.548 1.00 0.00 N ATOM 1376 CA GLU A 82 -6.921 -8.769 9.962 1.00 0.00 C ATOM 1377 C GLU A 82 -5.607 -8.608 10.748 1.00 0.00 C ATOM 1378 O GLU A 82 -5.545 -7.853 11.732 1.00 0.00 O ATOM 1379 CB GLU A 82 -7.630 -10.130 10.252 1.00 0.00 C ATOM 1380 CG GLU A 82 -6.794 -11.405 10.078 1.00 0.00 C ATOM 1381 CD GLU A 82 -6.225 -11.598 8.693 1.00 0.00 C ATOM 1382 OE1 GLU A 82 -5.103 -11.109 8.436 1.00 0.00 O ATOM 1383 OE2 GLU A 82 -6.862 -12.255 7.857 1.00 0.00 O ATOM 0 H GLU A 82 -6.786 -9.399 7.969 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.615 -8.001 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.001 -10.106 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.500 -10.204 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.973 -11.386 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.414 -12.267 10.326 1.00 0.00 H new ATOM 1390 N ALA A 83 -4.555 -9.265 10.257 1.00 0.00 N ATOM 1391 CA ALA A 83 -3.237 -9.216 10.847 1.00 0.00 C ATOM 1392 C ALA A 83 -2.207 -9.909 9.955 1.00 0.00 C ATOM 1393 O ALA A 83 -1.191 -9.326 9.604 1.00 0.00 O ATOM 1394 CB ALA A 83 -3.235 -9.874 12.220 1.00 0.00 C ATOM 0 H ALA A 83 -4.607 -9.852 9.425 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.966 -8.165 10.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.233 -9.825 12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.933 -9.352 12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.538 -10.917 12.124 1.00 0.00 H new ATOM 1400 N SER A 84 -2.491 -11.125 9.549 1.00 0.00 N ATOM 1401 CA SER A 84 -1.495 -11.937 8.868 1.00 0.00 C ATOM 1402 C SER A 84 -1.733 -12.046 7.350 1.00 0.00 C ATOM 1403 O SER A 84 -0.816 -12.424 6.606 1.00 0.00 O ATOM 1404 CB SER A 84 -1.459 -13.333 9.501 1.00 0.00 C ATOM 1405 OG SER A 84 -1.267 -13.253 10.921 1.00 0.00 O ATOM 0 H SER A 84 -3.397 -11.577 9.675 1.00 0.00 H new ATOM 0 HA SER A 84 -0.533 -11.439 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.390 -13.857 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.654 -13.917 9.055 1.00 0.00 H new ATOM 0 HG SER A 84 -1.250 -14.157 11.300 1.00 0.00 H new ATOM 1411 N GLU A 85 -2.931 -11.681 6.888 1.00 0.00 N ATOM 1412 CA GLU A 85 -3.315 -11.856 5.475 1.00 0.00 C ATOM 1413 C GLU A 85 -2.347 -11.127 4.526 1.00 0.00 C ATOM 1414 O GLU A 85 -1.751 -11.736 3.637 1.00 0.00 O ATOM 1415 CB GLU A 85 -4.727 -11.298 5.259 1.00 0.00 C ATOM 1416 CG GLU A 85 -5.349 -11.651 3.921 1.00 0.00 C ATOM 1417 CD GLU A 85 -5.790 -13.093 3.850 1.00 0.00 C ATOM 1418 OE1 GLU A 85 -4.944 -14.004 3.791 1.00 0.00 O ATOM 1419 OE2 GLU A 85 -7.009 -13.348 3.858 1.00 0.00 O ATOM 0 H GLU A 85 -3.657 -11.261 7.469 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.280 -12.922 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.375 -11.667 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.693 -10.213 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.207 -11.003 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.629 -11.455 3.126 1.00 0.00 H new ATOM 1426 N VAL A 86 -2.129 -9.851 4.780 1.00 0.00 N ATOM 1427 CA VAL A 86 -1.286 -9.041 3.903 1.00 0.00 C ATOM 1428 C VAL A 86 0.189 -9.332 4.088 1.00 0.00 C ATOM 1429 O VAL A 86 0.967 -9.228 3.145 1.00 0.00 O ATOM 1430 CB VAL A 86 -1.562 -7.534 4.043 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -2.940 -7.198 3.500 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -1.421 -7.093 5.499 1.00 0.00 C ATOM 0 H VAL A 86 -2.518 -9.350 5.579 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.557 -9.332 2.888 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.823 -6.988 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.122 -6.128 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.993 -7.473 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.696 -7.751 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.620 -6.024 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.134 -7.641 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.408 -7.299 5.845 1.00 0.00 H new ATOM 1442 N TYR A 87 0.566 -9.716 5.298 1.00 0.00 N ATOM 1443 CA TYR A 87 1.943 -10.079 5.575 1.00 0.00 C ATOM 1444 C TYR A 87 2.331 -11.297 4.775 1.00 0.00 C ATOM 1445 O TYR A 87 3.397 -11.335 4.183 1.00 0.00 O ATOM 1446 CB TYR A 87 2.179 -10.323 7.070 1.00 0.00 C ATOM 1447 CG TYR A 87 2.455 -9.076 7.890 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.455 -8.162 8.195 1.00 0.00 C ATOM 1449 CD2 TYR A 87 3.733 -8.826 8.369 1.00 0.00 C ATOM 1450 CE1 TYR A 87 1.729 -7.035 8.955 1.00 0.00 C ATOM 1451 CE2 TYR A 87 4.015 -7.711 9.130 1.00 0.00 C ATOM 1452 CZ TYR A 87 3.014 -6.819 9.421 1.00 0.00 C ATOM 1453 OH TYR A 87 3.294 -5.707 10.195 1.00 0.00 O ATOM 0 H TYR A 87 -0.061 -9.783 6.100 1.00 0.00 H new ATOM 0 HA TYR A 87 2.573 -9.240 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.304 -10.824 7.483 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.021 -11.007 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.451 -8.331 7.836 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.527 -9.522 8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.944 -6.329 9.182 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.017 -7.541 9.495 1.00 0.00 H new ATOM 0 HH TYR A 87 3.320 -5.964 11.140 1.00 0.00 H new ATOM 1463 N SER A 88 1.432 -12.252 4.708 1.00 0.00 N ATOM 1464 CA SER A 88 1.670 -13.476 3.985 1.00 0.00 C ATOM 1465 C SER A 88 1.758 -13.230 2.482 1.00 0.00 C ATOM 1466 O SER A 88 2.671 -13.742 1.820 1.00 0.00 O ATOM 1467 CB SER A 88 0.596 -14.479 4.335 1.00 0.00 C ATOM 1468 OG SER A 88 0.569 -14.671 5.750 1.00 0.00 O ATOM 0 H SER A 88 0.516 -12.200 5.154 1.00 0.00 H new ATOM 0 HA SER A 88 2.636 -13.885 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.374 -14.126 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.790 -15.426 3.832 1.00 0.00 H new ATOM 0 HG SER A 88 0.083 -13.932 6.171 1.00 0.00 H new ATOM 1474 N GLU A 89 0.853 -12.401 1.965 1.00 0.00 N ATOM 1475 CA GLU A 89 0.858 -12.044 0.546 1.00 0.00 C ATOM 1476 C GLU A 89 2.152 -11.349 0.171 1.00 0.00 C ATOM 1477 O GLU A 89 2.693 -11.563 -0.903 1.00 0.00 O ATOM 1478 CB GLU A 89 -0.318 -11.125 0.205 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.677 -11.789 0.245 1.00 0.00 C ATOM 1480 CD GLU A 89 -1.830 -12.857 -0.807 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -2.021 -12.524 -2.002 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -1.824 -14.047 -0.471 1.00 0.00 O ATOM 0 H GLU A 89 0.107 -11.964 2.506 1.00 0.00 H new ATOM 0 HA GLU A 89 0.765 -12.970 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.319 -10.286 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.161 -10.712 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.834 -12.229 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.451 -11.034 0.106 1.00 0.00 H new ATOM 1489 N ALA A 90 2.650 -10.541 1.063 1.00 0.00 N ATOM 1490 CA ALA A 90 3.848 -9.802 0.806 1.00 0.00 C ATOM 1491 C ALA A 90 5.112 -10.649 0.998 1.00 0.00 C ATOM 1492 O ALA A 90 5.890 -10.816 0.067 1.00 0.00 O ATOM 1493 CB ALA A 90 3.888 -8.549 1.658 1.00 0.00 C ATOM 0 H ALA A 90 2.239 -10.378 1.982 1.00 0.00 H new ATOM 0 HA ALA A 90 3.832 -9.509 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.805 -7.998 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.027 -7.922 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.860 -8.825 2.712 1.00 0.00 H new ATOM 1499 N VAL A 91 5.277 -11.242 2.170 1.00 0.00 N ATOM 1500 CA VAL A 91 6.536 -11.921 2.511 1.00 0.00 C ATOM 1501 C VAL A 91 6.809 -13.148 1.630 1.00 0.00 C ATOM 1502 O VAL A 91 7.954 -13.443 1.315 1.00 0.00 O ATOM 1503 CB VAL A 91 6.643 -12.290 4.032 1.00 0.00 C ATOM 1504 CG1 VAL A 91 5.724 -13.438 4.426 1.00 0.00 C ATOM 1505 CG2 VAL A 91 8.088 -12.570 4.441 1.00 0.00 C ATOM 0 H VAL A 91 4.567 -11.272 2.902 1.00 0.00 H new ATOM 0 HA VAL A 91 7.316 -11.189 2.302 1.00 0.00 H new ATOM 0 HB VAL A 91 6.301 -11.415 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.841 -13.649 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.689 -13.162 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.983 -14.326 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.124 -12.822 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.477 -13.404 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.696 -11.684 4.258 1.00 0.00 H new ATOM 1515 N LYS A 92 5.766 -13.843 1.210 1.00 0.00 N ATOM 1516 CA LYS A 92 5.963 -15.021 0.382 1.00 0.00 C ATOM 1517 C LYS A 92 6.284 -14.624 -1.051 1.00 0.00 C ATOM 1518 O LYS A 92 7.020 -15.321 -1.766 1.00 0.00 O ATOM 1519 CB LYS A 92 4.745 -15.943 0.424 1.00 0.00 C ATOM 1520 CG LYS A 92 4.413 -16.508 1.809 1.00 0.00 C ATOM 1521 CD LYS A 92 5.570 -17.318 2.379 1.00 0.00 C ATOM 1522 CE LYS A 92 5.209 -17.969 3.707 1.00 0.00 C ATOM 1523 NZ LYS A 92 4.865 -16.985 4.756 1.00 0.00 N ATOM 0 H LYS A 92 4.794 -13.619 1.422 1.00 0.00 H new ATOM 0 HA LYS A 92 6.812 -15.572 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.879 -15.394 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.912 -16.774 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.172 -15.690 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.526 -17.138 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.860 -18.088 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.435 -16.669 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.366 -18.643 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.047 -18.577 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.728 -17.477 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.637 -16.294 4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.988 -16.491 4.494 1.00 0.00 H new ATOM 1537 N ARG A 93 5.781 -13.486 -1.456 1.00 0.00 N ATOM 1538 CA ARG A 93 5.963 -13.029 -2.808 1.00 0.00 C ATOM 1539 C ARG A 93 7.240 -12.245 -2.994 1.00 0.00 C ATOM 1540 O ARG A 93 7.850 -12.311 -4.062 1.00 0.00 O ATOM 1541 CB ARG A 93 4.770 -12.247 -3.292 1.00 0.00 C ATOM 1542 CG ARG A 93 3.525 -13.089 -3.475 1.00 0.00 C ATOM 1543 CD ARG A 93 2.429 -12.257 -4.081 1.00 0.00 C ATOM 1544 NE ARG A 93 2.855 -11.691 -5.362 1.00 0.00 N ATOM 1545 CZ ARG A 93 2.350 -10.600 -5.921 1.00 0.00 C ATOM 1546 NH1 ARG A 93 1.375 -9.932 -5.322 1.00 0.00 N ATOM 1547 NH2 ARG A 93 2.841 -10.161 -7.058 1.00 0.00 N ATOM 0 H ARG A 93 5.239 -12.856 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 93 6.053 -13.924 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.557 -11.449 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.019 -11.771 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.744 -13.942 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.201 -13.489 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.539 -12.870 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.155 -11.454 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 93 3.600 -12.174 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.010 -10.257 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.990 -9.093 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.609 -10.659 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.454 -9.322 -7.490 1.00 0.00 H new ATOM 1561 N ILE A 94 7.635 -11.489 -1.993 1.00 0.00 N ATOM 1562 CA ILE A 94 8.886 -10.761 -2.058 1.00 0.00 C ATOM 1563 C ILE A 94 10.037 -11.722 -1.832 1.00 0.00 C ATOM 1564 O ILE A 94 10.174 -12.336 -0.762 1.00 0.00 O ATOM 1565 CB ILE A 94 8.952 -9.503 -1.095 1.00 0.00 C ATOM 1566 CG1 ILE A 94 8.188 -8.289 -1.684 1.00 0.00 C ATOM 1567 CG2 ILE A 94 10.395 -9.095 -0.784 1.00 0.00 C ATOM 1568 CD1 ILE A 94 6.704 -8.481 -1.896 1.00 0.00 C ATOM 0 H ILE A 94 7.111 -11.362 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 94 8.964 -10.333 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 94 8.469 -9.806 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.333 -7.437 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.641 -8.029 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.394 -8.229 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.911 -9.923 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.909 -8.841 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.275 -7.569 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.539 -9.307 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.226 -8.706 -0.942 1.00 0.00 H new ATOM 1580 N LEU A 95 10.811 -11.892 -2.853 1.00 0.00 N ATOM 1581 CA LEU A 95 11.900 -12.794 -2.839 1.00 0.00 C ATOM 1582 C LEU A 95 13.128 -12.012 -3.228 1.00 0.00 C ATOM 1583 O LEU A 95 13.900 -11.625 -2.348 1.00 0.00 O ATOM 1584 CB LEU A 95 11.633 -13.929 -3.835 1.00 0.00 C ATOM 1585 CG LEU A 95 12.598 -15.104 -3.798 1.00 0.00 C ATOM 1586 CD1 LEU A 95 12.508 -15.811 -2.456 1.00 0.00 C ATOM 1587 CD2 LEU A 95 12.297 -16.070 -4.933 1.00 0.00 C ATOM 1588 OXT LEU A 95 13.260 -11.671 -4.415 1.00 0.00 O ATOM 0 H LEU A 95 10.696 -11.394 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 95 12.039 -13.241 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.626 -14.308 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.644 -13.510 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 95 13.614 -14.730 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.203 -16.651 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.764 -15.113 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.493 -16.177 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.995 -16.906 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.278 -16.443 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.402 -15.554 -5.887 1.00 0.00 H new TER 1600 LEU A 95