USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 8 SER OG : rot 146:sc= 1.02 USER MOD Set 1.2: A 81 SER OG : rot 171:sc= 0.851 USER MOD Set 2.1: A 78 ASN : amide:sc= 0.548 K(o=1.9,f=-13!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -165:sc= 1.33 (180deg=0) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 174:sc= 1.36 (180deg=1.19) USER MOD Set 3.2: A 10 TYR OH : rot 118:sc= 0.191 USER MOD Set 4.1: A 5 HIS :FLIP no HD1:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -78:sc= 0.0348 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0211 (180deg=-0.237) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0763 USER MOD Single : A 34 ASN : amide:sc= 0.814 K(o=0.81,f=-6.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -157:sc= -2.18! USER MOD Single : A 46 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-8.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 34:sc= 1.02 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.846 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 1.32 (180deg=1.05) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.1) USER MOD Single : A 85 GLN : amide:sc= -0.758! C(o=-0.76!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.996 11.000 -4.002 1.00 0.00 N ATOM 36 CA LYS A 4 7.800 11.600 -3.464 1.00 0.00 C ATOM 37 C LYS A 4 8.125 12.249 -2.141 1.00 0.00 C ATOM 38 O LYS A 4 9.232 12.075 -1.614 1.00 0.00 O ATOM 39 CB LYS A 4 6.699 10.557 -3.196 1.00 0.00 C ATOM 40 CG LYS A 4 6.935 9.664 -1.951 1.00 0.00 C ATOM 41 CD LYS A 4 8.011 8.593 -2.140 1.00 0.00 C ATOM 42 CE LYS A 4 8.159 7.745 -0.880 1.00 0.00 C ATOM 43 NZ LYS A 4 9.043 6.578 -1.086 1.00 0.00 N ATOM 0 HA LYS A 4 7.442 12.320 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.748 11.076 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.605 9.916 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.215 10.299 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.997 9.177 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.751 7.955 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.963 9.066 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.558 8.362 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.176 7.400 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.193 6.092 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.601 5.922 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.958 6.898 -1.463 1.00 0.00 H new ATOM 57 N HIS A 5 7.176 12.963 -1.598 1.00 0.00 N ATOM 58 CA HIS A 5 7.320 13.482 -0.257 1.00 0.00 C ATOM 59 C HIS A 5 6.426 12.697 0.722 1.00 0.00 C ATOM 60 O HIS A 5 6.706 12.645 1.902 1.00 0.00 O ATOM 61 CB HIS A 5 7.061 15.008 -0.184 1.00 0.00 C ATOM 62 CG HIS A 5 5.678 15.443 -0.566 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.591 15.683 0.208 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.280 15.663 -1.857 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.524 16.044 -0.605 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.000 16.011 -1.839 1.00 0.00 N flip ATOM 0 H HIS A 5 6.297 13.200 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 5 8.358 13.340 0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.262 15.346 0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.775 15.512 -0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.900 15.570 -2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.521 16.297 -0.296 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.452 16.226 -2.672 1.00 0.00 H new ATOM 74 N SER A 6 5.372 12.058 0.210 1.00 0.00 N ATOM 75 CA SER A 6 4.465 11.303 1.066 1.00 0.00 C ATOM 76 C SER A 6 3.662 10.300 0.248 1.00 0.00 C ATOM 77 O SER A 6 3.820 10.223 -0.982 1.00 0.00 O ATOM 78 CB SER A 6 3.499 12.266 1.753 1.00 0.00 C ATOM 79 OG SER A 6 2.730 12.984 0.796 1.00 0.00 O ATOM 0 H SER A 6 5.130 12.050 -0.781 1.00 0.00 H new ATOM 0 HA SER A 6 5.056 10.765 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.835 11.710 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.058 12.965 2.375 1.00 0.00 H new ATOM 0 HG SER A 6 2.118 13.593 1.259 1.00 0.00 H new ATOM 85 N ILE A 7 2.792 9.546 0.931 1.00 0.00 N ATOM 86 CA ILE A 7 1.850 8.629 0.285 1.00 0.00 C ATOM 87 C ILE A 7 0.872 9.434 -0.579 1.00 0.00 C ATOM 88 O ILE A 7 0.449 8.998 -1.645 1.00 0.00 O ATOM 89 CB ILE A 7 1.037 7.796 1.345 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.028 6.859 0.655 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.334 8.705 2.354 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.809 6.030 1.608 1.00 0.00 C ATOM 0 H ILE A 7 2.723 9.556 1.949 1.00 0.00 H new ATOM 0 HA ILE A 7 2.421 7.934 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 7 1.750 7.182 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.637 7.457 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.570 6.188 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.217 8.096 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.076 9.304 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.358 9.364 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.492 5.399 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.156 5.402 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.382 6.691 2.258 1.00 0.00 H new ATOM 104 N SER A 8 0.607 10.654 -0.145 1.00 0.00 N ATOM 105 CA SER A 8 -0.326 11.518 -0.796 1.00 0.00 C ATOM 106 C SER A 8 0.307 12.152 -2.035 1.00 0.00 C ATOM 107 O SER A 8 -0.330 12.936 -2.742 1.00 0.00 O ATOM 108 CB SER A 8 -0.828 12.574 0.203 1.00 0.00 C ATOM 109 OG SER A 8 -1.869 13.378 -0.338 1.00 0.00 O ATOM 0 H SER A 8 1.045 11.065 0.679 1.00 0.00 H new ATOM 0 HA SER A 8 -1.186 10.942 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.187 12.077 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.003 13.213 0.501 1.00 0.00 H new ATOM 0 HG SER A 8 -2.500 13.618 0.373 1.00 0.00 H new ATOM 115 N ASP A 9 1.566 11.841 -2.273 1.00 0.00 N ATOM 116 CA ASP A 9 2.241 12.292 -3.473 1.00 0.00 C ATOM 117 C ASP A 9 2.330 11.139 -4.494 1.00 0.00 C ATOM 118 O ASP A 9 2.848 11.282 -5.597 1.00 0.00 O ATOM 119 CB ASP A 9 3.598 12.868 -3.123 1.00 0.00 C ATOM 120 CG ASP A 9 4.326 13.526 -4.285 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.672 14.003 -5.263 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.553 13.630 -4.206 1.00 0.00 O ATOM 0 H ASP A 9 2.143 11.276 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 9 1.667 13.091 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.472 13.603 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.225 12.070 -2.724 1.00 0.00 H new ATOM 127 N TYR A 10 1.808 9.999 -4.118 1.00 0.00 N ATOM 128 CA TYR A 10 1.640 8.899 -5.047 1.00 0.00 C ATOM 129 C TYR A 10 0.256 9.001 -5.584 1.00 0.00 C ATOM 130 O TYR A 10 -0.649 9.427 -4.859 1.00 0.00 O ATOM 131 CB TYR A 10 1.742 7.523 -4.363 1.00 0.00 C ATOM 132 CG TYR A 10 3.119 7.020 -4.031 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.810 7.489 -2.942 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.711 6.020 -4.802 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.040 6.993 -2.628 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.958 5.523 -4.487 1.00 0.00 C ATOM 137 CZ TYR A 10 5.617 6.019 -3.391 1.00 0.00 C ATOM 138 OH TYR A 10 6.866 5.530 -3.036 1.00 0.00 O ATOM 0 H TYR A 10 1.489 9.803 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 10 2.422 8.968 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.165 7.562 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.261 6.788 -5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.373 8.261 -2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.184 5.629 -5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.565 7.375 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.410 4.753 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 10 6.796 4.575 -2.829 1.00 0.00 H new ATOM 148 N THR A 11 0.054 8.666 -6.815 1.00 0.00 N ATOM 149 CA THR A 11 -1.288 8.577 -7.285 1.00 0.00 C ATOM 150 C THR A 11 -1.809 7.225 -6.820 1.00 0.00 C ATOM 151 O THR A 11 -0.997 6.326 -6.497 1.00 0.00 O ATOM 152 CB THR A 11 -1.379 8.706 -8.815 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.569 7.711 -9.429 1.00 0.00 O ATOM 154 CG2 THR A 11 -0.921 10.085 -9.267 1.00 0.00 C ATOM 0 H THR A 11 0.780 8.454 -7.499 1.00 0.00 H new ATOM 0 HA THR A 11 -1.886 9.398 -6.888 1.00 0.00 H new ATOM 0 HB THR A 11 -2.419 8.569 -9.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.371 7.986 -9.392 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.993 10.155 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.554 10.846 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.113 10.243 -8.961 1.00 0.00 H new ATOM 162 N GLU A 12 -3.109 7.056 -6.771 1.00 0.00 N ATOM 163 CA GLU A 12 -3.688 5.835 -6.252 1.00 0.00 C ATOM 164 C GLU A 12 -3.253 4.632 -7.091 1.00 0.00 C ATOM 165 O GLU A 12 -3.013 3.564 -6.561 1.00 0.00 O ATOM 166 CB GLU A 12 -5.206 5.948 -6.172 1.00 0.00 C ATOM 167 CG GLU A 12 -5.870 4.848 -5.369 1.00 0.00 C ATOM 168 CD GLU A 12 -7.355 5.021 -5.298 1.00 0.00 C ATOM 169 OE1 GLU A 12 -7.843 5.863 -4.494 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.078 4.343 -6.051 1.00 0.00 O ATOM 0 H GLU A 12 -3.789 7.749 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.318 5.679 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.465 6.911 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.613 5.941 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.639 3.882 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.458 4.837 -4.360 1.00 0.00 H new ATOM 177 N ALA A 13 -3.079 4.843 -8.390 1.00 0.00 N ATOM 178 CA ALA A 13 -2.633 3.774 -9.275 1.00 0.00 C ATOM 179 C ALA A 13 -1.185 3.383 -8.984 1.00 0.00 C ATOM 180 O ALA A 13 -0.879 2.210 -8.915 1.00 0.00 O ATOM 181 CB ALA A 13 -2.808 4.149 -10.728 1.00 0.00 C ATOM 0 H ALA A 13 -3.239 5.738 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.262 2.906 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.465 3.329 -11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.861 4.346 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.224 5.043 -10.946 1.00 0.00 H new ATOM 187 N GLU A 14 -0.306 4.372 -8.764 1.00 0.00 N ATOM 188 CA GLU A 14 1.110 4.094 -8.430 1.00 0.00 C ATOM 189 C GLU A 14 1.203 3.380 -7.111 1.00 0.00 C ATOM 190 O GLU A 14 2.069 2.534 -6.896 1.00 0.00 O ATOM 191 CB GLU A 14 1.913 5.372 -8.341 1.00 0.00 C ATOM 192 CG GLU A 14 2.063 6.112 -9.635 1.00 0.00 C ATOM 193 CD GLU A 14 2.712 7.436 -9.416 1.00 0.00 C ATOM 194 OE1 GLU A 14 2.037 8.354 -8.920 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.916 7.599 -9.745 1.00 0.00 O ATOM 0 H GLU A 14 -0.541 5.363 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 14 1.516 3.470 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.439 6.032 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.905 5.135 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.659 5.521 -10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.084 6.253 -10.094 1.00 0.00 H new ATOM 202 N PHE A 15 0.317 3.718 -6.231 1.00 0.00 N ATOM 203 CA PHE A 15 0.261 3.079 -4.956 1.00 0.00 C ATOM 204 C PHE A 15 -0.317 1.701 -5.106 1.00 0.00 C ATOM 205 O PHE A 15 0.072 0.798 -4.438 1.00 0.00 O ATOM 206 CB PHE A 15 -0.539 3.905 -3.979 1.00 0.00 C ATOM 207 CG PHE A 15 -0.516 3.354 -2.604 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.490 3.707 -1.739 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.500 2.476 -2.174 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.521 3.204 -0.473 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.475 1.973 -0.909 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.465 2.337 -0.058 1.00 0.00 C ATOM 0 H PHE A 15 -0.386 4.443 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 15 1.271 2.990 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.147 4.922 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.571 3.967 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.262 4.388 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.293 2.189 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.316 3.484 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.246 1.292 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.442 1.941 0.946 1.00 0.00 H new ATOM 222 N LEU A 16 -1.211 1.537 -6.003 1.00 0.00 N ATOM 223 CA LEU A 16 -1.788 0.243 -6.242 1.00 0.00 C ATOM 224 C LEU A 16 -0.773 -0.653 -6.922 1.00 0.00 C ATOM 225 O LEU A 16 -0.844 -1.879 -6.864 1.00 0.00 O ATOM 226 CB LEU A 16 -3.094 0.414 -7.007 1.00 0.00 C ATOM 227 CG LEU A 16 -3.967 -0.786 -7.096 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.413 -0.366 -7.071 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.717 -1.541 -8.345 1.00 0.00 C ATOM 0 H LEU A 16 -1.572 2.282 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.043 -0.258 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.663 1.217 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.857 0.741 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.740 -1.426 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.049 -1.249 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.622 0.164 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.616 0.291 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.371 -2.413 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.919 -0.901 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.677 -1.866 -8.372 1.00 0.00 H new ATOM 241 N GLU A 17 0.174 -0.038 -7.526 1.00 0.00 N ATOM 242 CA GLU A 17 1.294 -0.746 -8.047 1.00 0.00 C ATOM 243 C GLU A 17 2.211 -1.192 -6.897 1.00 0.00 C ATOM 244 O GLU A 17 2.928 -2.156 -7.063 1.00 0.00 O ATOM 245 CB GLU A 17 2.131 0.087 -9.004 1.00 0.00 C ATOM 246 CG GLU A 17 1.434 0.617 -10.224 1.00 0.00 C ATOM 247 CD GLU A 17 2.409 1.326 -11.119 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.693 2.529 -10.906 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.942 0.688 -12.045 1.00 0.00 O ATOM 0 H GLU A 17 0.200 0.971 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 17 0.887 -1.597 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.539 0.933 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.977 -0.518 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.963 -0.203 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.639 1.301 -9.928 1.00 0.00 H new ATOM 256 N PHE A 18 2.162 -0.479 -5.719 1.00 0.00 N ATOM 257 CA PHE A 18 3.041 -0.793 -4.541 1.00 0.00 C ATOM 258 C PHE A 18 2.880 -2.229 -4.210 1.00 0.00 C ATOM 259 O PHE A 18 3.823 -2.992 -4.185 1.00 0.00 O ATOM 260 CB PHE A 18 2.712 0.103 -3.226 1.00 0.00 C ATOM 261 CG PHE A 18 1.915 -0.565 -2.013 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.518 -0.634 -1.997 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.584 -1.118 -0.912 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.171 -1.231 -0.937 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.886 -1.701 0.136 1.00 0.00 C ATOM 266 CZ PHE A 18 0.518 -1.759 0.120 1.00 0.00 C ATOM 0 H PHE A 18 1.530 0.307 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 18 4.066 -0.555 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.660 0.472 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.143 0.973 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.041 -0.217 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.663 -1.090 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.250 -1.275 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.428 -2.114 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.015 -2.220 0.939 1.00 0.00 H new ATOM 276 N VAL A 19 1.659 -2.588 -4.083 1.00 0.00 N ATOM 277 CA VAL A 19 1.278 -3.881 -3.634 1.00 0.00 C ATOM 278 C VAL A 19 1.542 -4.946 -4.688 1.00 0.00 C ATOM 279 O VAL A 19 1.996 -6.044 -4.371 1.00 0.00 O ATOM 280 CB VAL A 19 -0.194 -3.863 -3.153 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.136 -3.406 -4.233 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.610 -5.174 -2.540 1.00 0.00 C ATOM 0 H VAL A 19 0.871 -1.976 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 19 1.900 -4.152 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.255 -3.122 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.157 -3.409 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.869 -2.397 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.066 -4.081 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.650 -5.112 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.505 -5.970 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.024 -5.391 -1.680 1.00 0.00 H new ATOM 292 N LYS A 20 1.317 -4.600 -5.932 1.00 0.00 N ATOM 293 CA LYS A 20 1.571 -5.516 -7.017 1.00 0.00 C ATOM 294 C LYS A 20 3.073 -5.777 -7.139 1.00 0.00 C ATOM 295 O LYS A 20 3.520 -6.904 -7.343 1.00 0.00 O ATOM 296 CB LYS A 20 1.044 -4.965 -8.318 1.00 0.00 C ATOM 297 CG LYS A 20 -0.439 -4.778 -8.300 1.00 0.00 C ATOM 298 CD LYS A 20 -0.960 -4.568 -9.674 1.00 0.00 C ATOM 299 CE LYS A 20 -2.451 -4.504 -9.691 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.000 -4.751 -11.034 1.00 0.00 N ATOM 0 H LYS A 20 0.958 -3.689 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 20 1.056 -6.452 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.525 -4.009 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.312 -5.640 -9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.915 -5.652 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.695 -3.923 -7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.551 -3.644 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.622 -5.379 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.853 -5.240 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.775 -3.524 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.038 -4.697 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.638 -4.034 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.713 -5.697 -11.358 1.00 0.00 H new ATOM 314 N LYS A 21 3.832 -4.710 -6.953 1.00 0.00 N ATOM 315 CA LYS A 21 5.283 -4.714 -7.008 1.00 0.00 C ATOM 316 C LYS A 21 5.837 -5.598 -5.895 1.00 0.00 C ATOM 317 O LYS A 21 6.796 -6.321 -6.103 1.00 0.00 O ATOM 318 CB LYS A 21 5.782 -3.266 -6.859 1.00 0.00 C ATOM 319 CG LYS A 21 7.260 -3.035 -7.073 1.00 0.00 C ATOM 320 CD LYS A 21 7.592 -1.560 -6.861 1.00 0.00 C ATOM 321 CE LYS A 21 9.049 -1.244 -7.159 1.00 0.00 C ATOM 322 NZ LYS A 21 9.402 -1.538 -8.559 1.00 0.00 N ATOM 0 H LYS A 21 3.442 -3.789 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 21 5.627 -5.116 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.234 -2.642 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.524 -2.918 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.837 -3.649 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.542 -3.339 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.953 -0.951 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.367 -1.284 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.242 -0.192 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.689 -1.824 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.316 -1.097 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.472 -2.567 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.667 -1.158 -9.189 1.00 0.00 H new ATOM 336 N ILE A 22 5.202 -5.545 -4.732 1.00 0.00 N ATOM 337 CA ILE A 22 5.606 -6.371 -3.602 1.00 0.00 C ATOM 338 C ILE A 22 5.259 -7.822 -3.882 1.00 0.00 C ATOM 339 O ILE A 22 6.061 -8.723 -3.658 1.00 0.00 O ATOM 340 CB ILE A 22 4.917 -5.939 -2.289 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.171 -4.464 -2.020 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.437 -6.781 -1.136 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.508 -3.935 -0.785 1.00 0.00 C ATOM 0 H ILE A 22 4.404 -4.938 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 22 6.682 -6.248 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 22 3.842 -6.092 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.246 -4.302 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.827 -3.887 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.949 -6.473 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.222 -7.832 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.514 -6.642 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.743 -2.877 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.429 -4.060 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.870 -4.483 0.085 1.00 0.00 H new ATOM 355 N CYS A 23 4.079 -8.033 -4.422 1.00 0.00 N ATOM 356 CA CYS A 23 3.605 -9.361 -4.749 1.00 0.00 C ATOM 357 C CYS A 23 4.553 -10.045 -5.749 1.00 0.00 C ATOM 358 O CYS A 23 4.741 -11.255 -5.704 1.00 0.00 O ATOM 359 CB CYS A 23 2.177 -9.288 -5.304 1.00 0.00 C ATOM 360 SG CYS A 23 1.430 -10.883 -5.710 1.00 0.00 S ATOM 0 H CYS A 23 3.420 -7.288 -4.647 1.00 0.00 H new ATOM 0 HA CYS A 23 3.590 -9.963 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.545 -8.784 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.184 -8.669 -6.201 1.00 0.00 H new ATOM 0 HG CYS A 23 0.227 -10.695 -6.166 1.00 0.00 H new ATOM 366 N ARG A 24 5.183 -9.262 -6.609 1.00 0.00 N ATOM 367 CA ARG A 24 6.099 -9.809 -7.588 1.00 0.00 C ATOM 368 C ARG A 24 7.569 -9.670 -7.145 1.00 0.00 C ATOM 369 O ARG A 24 8.478 -10.025 -7.886 1.00 0.00 O ATOM 370 CB ARG A 24 5.884 -9.167 -8.958 1.00 0.00 C ATOM 371 CG ARG A 24 6.337 -7.731 -9.074 1.00 0.00 C ATOM 372 CD ARG A 24 6.030 -7.199 -10.447 1.00 0.00 C ATOM 373 NE ARG A 24 6.668 -5.905 -10.704 1.00 0.00 N ATOM 374 CZ ARG A 24 6.220 -4.988 -11.566 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.994 -5.093 -12.083 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.985 -3.943 -11.879 1.00 0.00 N ATOM 0 H ARG A 24 5.075 -8.248 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 24 5.883 -10.874 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.412 -9.759 -9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.823 -9.217 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.838 -7.122 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.408 -7.663 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.363 -7.919 -11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.951 -7.097 -10.561 1.00 0.00 H new ATOM 0 HE ARG A 24 7.519 -5.688 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.395 -5.876 -11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.656 -4.391 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.910 -3.845 -11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.646 -3.241 -12.537 1.00 0.00 H new ATOM 390 N ALA A 25 7.791 -9.209 -5.921 1.00 0.00 N ATOM 391 CA ALA A 25 9.147 -8.915 -5.408 1.00 0.00 C ATOM 392 C ALA A 25 9.905 -10.154 -4.916 1.00 0.00 C ATOM 393 O ALA A 25 10.891 -10.039 -4.186 1.00 0.00 O ATOM 394 CB ALA A 25 9.077 -7.879 -4.305 1.00 0.00 C ATOM 0 H ALA A 25 7.047 -9.025 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 25 9.712 -8.526 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.082 -7.672 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.637 -6.961 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.462 -8.258 -3.489 1.00 0.00 H new ATOM 400 N GLU A 26 9.495 -11.317 -5.356 1.00 0.00 N ATOM 401 CA GLU A 26 10.147 -12.574 -4.994 1.00 0.00 C ATOM 402 C GLU A 26 11.413 -12.813 -5.851 1.00 0.00 C ATOM 403 O GLU A 26 11.650 -13.912 -6.379 1.00 0.00 O ATOM 404 CB GLU A 26 9.142 -13.731 -5.111 1.00 0.00 C ATOM 405 CG GLU A 26 8.413 -13.808 -6.449 1.00 0.00 C ATOM 406 CD GLU A 26 7.375 -14.890 -6.460 1.00 0.00 C ATOM 407 OE1 GLU A 26 6.299 -14.695 -5.860 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.602 -15.954 -7.067 1.00 0.00 O ATOM 0 H GLU A 26 8.696 -11.431 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 26 10.480 -12.518 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.669 -14.671 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.403 -13.635 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.940 -12.849 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.135 -13.989 -7.245 1.00 0.00 H new ATOM 415 N GLY A 27 12.227 -11.783 -5.955 1.00 0.00 N ATOM 416 CA GLY A 27 13.427 -11.831 -6.741 1.00 0.00 C ATOM 417 C GLY A 27 14.608 -12.354 -5.962 1.00 0.00 C ATOM 418 O GLY A 27 14.926 -13.544 -6.034 1.00 0.00 O ATOM 0 H GLY A 27 12.068 -10.888 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.261 -12.465 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.655 -10.832 -7.112 1.00 0.00 H new ATOM 422 N ALA A 28 15.248 -11.471 -5.204 1.00 0.00 N ATOM 423 CA ALA A 28 16.439 -11.828 -4.442 1.00 0.00 C ATOM 424 C ALA A 28 16.079 -12.726 -3.280 1.00 0.00 C ATOM 425 O ALA A 28 16.421 -13.910 -3.250 1.00 0.00 O ATOM 426 CB ALA A 28 17.144 -10.571 -3.925 1.00 0.00 C ATOM 0 H ALA A 28 14.960 -10.498 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 28 17.116 -12.365 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.030 -10.858 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.438 -9.946 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.466 -10.013 -3.279 1.00 0.00 H new ATOM 432 N THR A 29 15.371 -12.164 -2.359 1.00 0.00 N ATOM 433 CA THR A 29 14.950 -12.814 -1.162 1.00 0.00 C ATOM 434 C THR A 29 13.646 -12.179 -0.770 1.00 0.00 C ATOM 435 O THR A 29 13.199 -11.219 -1.425 1.00 0.00 O ATOM 436 CB THR A 29 15.970 -12.564 -0.023 1.00 0.00 C ATOM 437 OG1 THR A 29 16.253 -11.160 0.042 1.00 0.00 O ATOM 438 CG2 THR A 29 17.265 -13.350 -0.209 1.00 0.00 C ATOM 0 H THR A 29 15.056 -11.196 -2.422 1.00 0.00 H new ATOM 0 HA THR A 29 14.861 -13.888 -1.324 1.00 0.00 H new ATOM 0 HB THR A 29 15.525 -12.912 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.897 -10.989 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.942 -13.136 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 29 17.043 -14.417 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.736 -13.059 -1.148 1.00 0.00 H new ATOM 446 N GLU A 30 13.074 -12.625 0.315 1.00 0.00 N ATOM 447 CA GLU A 30 11.841 -12.067 0.801 1.00 0.00 C ATOM 448 C GLU A 30 12.145 -10.737 1.541 1.00 0.00 C ATOM 449 O GLU A 30 11.254 -10.056 2.055 1.00 0.00 O ATOM 450 CB GLU A 30 11.154 -13.096 1.694 1.00 0.00 C ATOM 451 CG GLU A 30 9.704 -12.802 2.018 1.00 0.00 C ATOM 452 CD GLU A 30 9.066 -13.932 2.770 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.705 -14.944 2.142 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.930 -13.847 3.991 1.00 0.00 O ATOM 0 H GLU A 30 13.448 -13.383 0.886 1.00 0.00 H new ATOM 0 HA GLU A 30 11.159 -11.835 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.211 -14.070 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.710 -13.172 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.641 -11.889 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.154 -12.622 1.095 1.00 0.00 H new ATOM 461 N GLU A 31 13.423 -10.371 1.558 1.00 0.00 N ATOM 462 CA GLU A 31 13.866 -9.114 2.114 1.00 0.00 C ATOM 463 C GLU A 31 13.636 -8.034 1.080 1.00 0.00 C ATOM 464 O GLU A 31 13.369 -6.894 1.419 1.00 0.00 O ATOM 465 CB GLU A 31 15.352 -9.157 2.425 1.00 0.00 C ATOM 466 CG GLU A 31 15.782 -10.330 3.263 1.00 0.00 C ATOM 467 CD GLU A 31 15.046 -10.412 4.575 1.00 0.00 C ATOM 468 OE1 GLU A 31 15.419 -9.695 5.525 1.00 0.00 O ATOM 469 OE2 GLU A 31 14.082 -11.195 4.678 1.00 0.00 O ATOM 0 H GLU A 31 14.177 -10.946 1.183 1.00 0.00 H new ATOM 0 HA GLU A 31 13.313 -8.917 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.906 -9.175 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.629 -8.238 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.619 -11.250 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.852 -10.260 3.456 1.00 0.00 H new ATOM 476 N ASP A 32 13.723 -8.418 -0.201 1.00 0.00 N ATOM 477 CA ASP A 32 13.506 -7.474 -1.319 1.00 0.00 C ATOM 478 C ASP A 32 12.037 -7.097 -1.352 1.00 0.00 C ATOM 479 O ASP A 32 11.647 -5.995 -1.733 1.00 0.00 O ATOM 480 CB ASP A 32 13.945 -8.088 -2.664 1.00 0.00 C ATOM 481 CG ASP A 32 13.846 -7.100 -3.811 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.484 -6.039 -3.747 1.00 0.00 O ATOM 483 OD2 ASP A 32 13.176 -7.395 -4.823 1.00 0.00 O ATOM 0 H ASP A 32 13.941 -9.371 -0.494 1.00 0.00 H new ATOM 0 HA ASP A 32 14.114 -6.583 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.973 -8.442 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.325 -8.958 -2.883 1.00 0.00 H new ATOM 488 N ASP A 33 11.261 -8.033 -0.898 1.00 0.00 N ATOM 489 CA ASP A 33 9.831 -7.905 -0.708 1.00 0.00 C ATOM 490 C ASP A 33 9.592 -6.939 0.469 1.00 0.00 C ATOM 491 O ASP A 33 8.939 -5.896 0.340 1.00 0.00 O ATOM 492 CB ASP A 33 9.319 -9.318 -0.359 1.00 0.00 C ATOM 493 CG ASP A 33 7.829 -9.480 -0.209 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.239 -8.898 0.703 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.250 -10.290 -0.971 1.00 0.00 O ATOM 0 H ASP A 33 11.614 -8.953 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 33 9.318 -7.518 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.659 -10.004 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.791 -9.630 0.573 1.00 0.00 H new ATOM 500 N ASN A 34 10.231 -7.267 1.577 1.00 0.00 N ATOM 501 CA ASN A 34 10.118 -6.552 2.858 1.00 0.00 C ATOM 502 C ASN A 34 10.547 -5.096 2.753 1.00 0.00 C ATOM 503 O ASN A 34 9.920 -4.217 3.333 1.00 0.00 O ATOM 504 CB ASN A 34 10.989 -7.252 3.881 1.00 0.00 C ATOM 505 CG ASN A 34 10.755 -6.830 5.314 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.350 -5.885 5.819 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.940 -7.571 5.993 1.00 0.00 N ATOM 0 H ASN A 34 10.867 -8.063 1.623 1.00 0.00 H new ATOM 0 HA ASN A 34 9.069 -6.562 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.824 -8.327 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.034 -7.071 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.776 -7.376 6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.461 -8.350 5.540 1.00 0.00 H new ATOM 514 N LYS A 35 11.604 -4.834 2.004 1.00 0.00 N ATOM 515 CA LYS A 35 12.123 -3.481 1.870 1.00 0.00 C ATOM 516 C LYS A 35 11.147 -2.589 1.110 1.00 0.00 C ATOM 517 O LYS A 35 11.144 -1.367 1.277 1.00 0.00 O ATOM 518 CB LYS A 35 13.512 -3.479 1.234 1.00 0.00 C ATOM 519 CG LYS A 35 13.548 -3.932 -0.203 1.00 0.00 C ATOM 520 CD LYS A 35 14.963 -4.211 -0.656 1.00 0.00 C ATOM 521 CE LYS A 35 15.867 -3.000 -0.541 1.00 0.00 C ATOM 522 NZ LYS A 35 17.211 -3.272 -1.094 1.00 0.00 N ATOM 0 H LYS A 35 12.121 -5.539 1.479 1.00 0.00 H new ATOM 0 HA LYS A 35 12.229 -3.063 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.922 -2.471 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.166 -4.124 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.943 -4.831 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.105 -3.166 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.376 -5.025 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.948 -4.550 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.419 -2.159 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.955 -2.709 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.804 -2.423 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.648 -4.059 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.128 -3.526 -2.099 1.00 0.00 H new ATOM 536 N LEU A 36 10.311 -3.197 0.283 1.00 0.00 N ATOM 537 CA LEU A 36 9.265 -2.460 -0.372 1.00 0.00 C ATOM 538 C LEU A 36 8.167 -2.218 0.630 1.00 0.00 C ATOM 539 O LEU A 36 7.698 -1.098 0.786 1.00 0.00 O ATOM 540 CB LEU A 36 8.708 -3.209 -1.583 1.00 0.00 C ATOM 541 CG LEU A 36 9.642 -3.394 -2.774 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.953 -4.216 -3.838 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.060 -2.046 -3.346 1.00 0.00 C ATOM 0 H LEU A 36 10.343 -4.191 0.057 1.00 0.00 H new ATOM 0 HA LEU A 36 9.674 -1.519 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.383 -4.195 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.819 -2.681 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 36 10.538 -3.916 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.623 -4.346 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.690 -5.192 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.048 -3.703 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.726 -2.202 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.176 -1.500 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.578 -1.470 -2.579 1.00 0.00 H new ATOM 555 N VAL A 37 7.810 -3.269 1.345 1.00 0.00 N ATOM 556 CA VAL A 37 6.770 -3.213 2.359 1.00 0.00 C ATOM 557 C VAL A 37 7.044 -2.110 3.373 1.00 0.00 C ATOM 558 O VAL A 37 6.195 -1.291 3.602 1.00 0.00 O ATOM 559 CB VAL A 37 6.585 -4.572 3.104 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.488 -4.438 4.142 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.216 -5.666 2.133 1.00 0.00 C ATOM 0 H VAL A 37 8.235 -4.190 1.239 1.00 0.00 H new ATOM 0 HA VAL A 37 5.844 -2.992 1.828 1.00 0.00 H new ATOM 0 HB VAL A 37 7.527 -4.831 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.360 -5.388 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.760 -3.665 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.554 -4.164 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.092 -6.605 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.282 -5.409 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.007 -5.776 1.391 1.00 0.00 H new ATOM 571 N ARG A 38 8.243 -2.073 3.925 1.00 0.00 N ATOM 572 CA ARG A 38 8.584 -1.074 4.951 1.00 0.00 C ATOM 573 C ARG A 38 8.476 0.345 4.410 1.00 0.00 C ATOM 574 O ARG A 38 7.991 1.232 5.092 1.00 0.00 O ATOM 575 CB ARG A 38 9.980 -1.285 5.485 1.00 0.00 C ATOM 576 CG ARG A 38 10.225 -2.649 6.058 1.00 0.00 C ATOM 577 CD ARG A 38 11.606 -2.736 6.647 1.00 0.00 C ATOM 578 NE ARG A 38 12.660 -2.358 5.679 1.00 0.00 N ATOM 579 CZ ARG A 38 13.668 -3.150 5.284 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.631 -4.456 5.517 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.665 -2.648 4.583 1.00 0.00 N ATOM 0 H ARG A 38 9.001 -2.714 3.690 1.00 0.00 H new ATOM 0 HA ARG A 38 7.864 -1.205 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.694 -1.109 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.178 -0.540 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.482 -2.866 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.108 -3.403 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.667 -2.085 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.785 -3.753 6.996 1.00 0.00 H new ATOM 0 HE ARG A 38 12.616 -1.420 5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.831 -4.865 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.402 -5.050 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.670 -1.657 4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.431 -3.250 4.283 1.00 0.00 H new ATOM 595 N GLU A 39 8.916 0.530 3.175 1.00 0.00 N ATOM 596 CA GLU A 39 8.872 1.789 2.486 1.00 0.00 C ATOM 597 C GLU A 39 7.441 2.284 2.415 1.00 0.00 C ATOM 598 O GLU A 39 7.116 3.399 2.847 1.00 0.00 O ATOM 599 CB GLU A 39 9.382 1.511 1.090 1.00 0.00 C ATOM 600 CG GLU A 39 9.255 2.617 0.100 1.00 0.00 C ATOM 601 CD GLU A 39 10.206 3.745 0.365 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.418 3.557 0.159 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.769 4.834 0.794 1.00 0.00 O ATOM 0 H GLU A 39 9.324 -0.220 2.617 1.00 0.00 H new ATOM 0 HA GLU A 39 9.468 2.548 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.434 1.236 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.851 0.642 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.434 2.225 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.234 2.997 0.116 1.00 0.00 H new ATOM 610 N PHE A 40 6.605 1.430 1.921 1.00 0.00 N ATOM 611 CA PHE A 40 5.241 1.736 1.709 1.00 0.00 C ATOM 612 C PHE A 40 4.464 1.815 3.014 1.00 0.00 C ATOM 613 O PHE A 40 3.698 2.740 3.212 1.00 0.00 O ATOM 614 CB PHE A 40 4.652 0.758 0.723 1.00 0.00 C ATOM 615 CG PHE A 40 5.216 0.914 -0.684 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.072 2.107 -1.380 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.891 -0.130 -1.299 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.591 2.246 -2.658 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.409 0.003 -2.570 1.00 0.00 C ATOM 620 CZ PHE A 40 6.260 1.189 -3.252 1.00 0.00 C ATOM 0 H PHE A 40 6.864 0.481 1.650 1.00 0.00 H new ATOM 0 HA PHE A 40 5.163 2.733 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.839 -0.258 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.571 0.890 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.551 2.934 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.013 -1.065 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.474 3.178 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.931 -0.823 -3.030 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.664 1.295 -4.248 1.00 0.00 H new ATOM 630 N GLU A 41 4.724 0.891 3.919 1.00 0.00 N ATOM 631 CA GLU A 41 4.096 0.871 5.227 1.00 0.00 C ATOM 632 C GLU A 41 4.491 2.041 6.091 1.00 0.00 C ATOM 633 O GLU A 41 3.783 2.409 7.045 1.00 0.00 O ATOM 634 CB GLU A 41 4.286 -0.469 5.916 1.00 0.00 C ATOM 635 CG GLU A 41 3.229 -1.431 5.461 1.00 0.00 C ATOM 636 CD GLU A 41 1.899 -0.781 5.648 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.529 -0.553 6.817 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.217 -0.475 4.670 1.00 0.00 O ATOM 0 H GLU A 41 5.382 0.127 3.766 1.00 0.00 H new ATOM 0 HA GLU A 41 3.025 0.991 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.275 -0.868 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.234 -0.342 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.380 -1.695 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.284 -2.356 6.034 1.00 0.00 H new ATOM 645 N ARG A 42 5.606 2.636 5.766 1.00 0.00 N ATOM 646 CA ARG A 42 6.005 3.856 6.387 1.00 0.00 C ATOM 647 C ARG A 42 5.047 4.950 5.980 1.00 0.00 C ATOM 648 O ARG A 42 4.470 5.641 6.819 1.00 0.00 O ATOM 649 CB ARG A 42 7.412 4.207 5.954 1.00 0.00 C ATOM 650 CG ARG A 42 7.877 5.567 6.402 1.00 0.00 C ATOM 651 CD ARG A 42 9.371 5.735 6.190 1.00 0.00 C ATOM 652 NE ARG A 42 9.769 5.536 4.778 1.00 0.00 N ATOM 653 CZ ARG A 42 11.035 5.382 4.353 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.040 5.369 5.227 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.292 5.229 3.051 1.00 0.00 N ATOM 0 H ARG A 42 6.258 2.285 5.064 1.00 0.00 H new ATOM 0 HA ARG A 42 5.988 3.746 7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.098 3.455 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.468 4.157 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.340 6.338 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.639 5.706 7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.670 6.733 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.906 5.023 6.819 1.00 0.00 H new ATOM 0 HE ARG A 42 9.029 5.514 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.851 5.476 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.999 5.252 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.527 5.229 2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.254 5.112 2.731 1.00 0.00 H new ATOM 669 N LEU A 43 4.860 5.045 4.695 1.00 0.00 N ATOM 670 CA LEU A 43 4.014 6.046 4.069 1.00 0.00 C ATOM 671 C LEU A 43 2.556 5.883 4.484 1.00 0.00 C ATOM 672 O LEU A 43 1.879 6.860 4.806 1.00 0.00 O ATOM 673 CB LEU A 43 4.110 5.903 2.557 1.00 0.00 C ATOM 674 CG LEU A 43 5.504 5.988 1.963 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.460 5.604 0.502 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.058 7.392 2.121 1.00 0.00 C ATOM 0 H LEU A 43 5.301 4.414 4.026 1.00 0.00 H new ATOM 0 HA LEU A 43 4.357 7.029 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.676 4.944 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.495 6.678 2.100 1.00 0.00 H new ATOM 0 HG LEU A 43 6.159 5.296 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.463 5.666 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.088 4.584 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.798 6.284 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.058 7.439 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.408 8.100 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.106 7.647 3.180 1.00 0.00 H new ATOM 688 N THR A 44 2.104 4.657 4.516 1.00 0.00 N ATOM 689 CA THR A 44 0.703 4.357 4.766 1.00 0.00 C ATOM 690 C THR A 44 0.326 4.622 6.178 1.00 0.00 C ATOM 691 O THR A 44 -0.780 5.140 6.440 1.00 0.00 O ATOM 692 CB THR A 44 0.383 2.896 4.455 1.00 0.00 C ATOM 693 OG1 THR A 44 1.234 2.079 5.220 1.00 0.00 O ATOM 694 CG2 THR A 44 0.605 2.626 3.015 1.00 0.00 C ATOM 0 H THR A 44 2.689 3.834 4.371 1.00 0.00 H new ATOM 0 HA THR A 44 0.131 5.011 4.108 1.00 0.00 H new ATOM 0 HB THR A 44 -0.659 2.687 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.315 1.201 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.375 1.582 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.043 3.270 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.646 2.827 2.763 1.00 0.00 H new ATOM 702 N GLU A 45 1.240 4.253 7.106 1.00 0.00 N ATOM 703 CA GLU A 45 0.999 4.323 8.512 1.00 0.00 C ATOM 704 C GLU A 45 -0.173 3.374 8.819 1.00 0.00 C ATOM 705 O GLU A 45 -0.869 3.488 9.835 1.00 0.00 O ATOM 706 CB GLU A 45 0.702 5.779 8.884 1.00 0.00 C ATOM 707 CG GLU A 45 0.640 6.051 10.340 1.00 0.00 C ATOM 708 CD GLU A 45 0.534 7.514 10.613 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.581 8.185 10.710 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.601 8.038 10.701 1.00 0.00 O ATOM 0 H GLU A 45 2.166 3.899 6.867 1.00 0.00 H new ATOM 0 HA GLU A 45 1.859 4.012 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.469 6.415 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.248 6.067 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.217 5.535 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.531 5.652 10.825 1.00 0.00 H new ATOM 717 N HIS A 46 -0.340 2.386 7.945 1.00 0.00 N ATOM 718 CA HIS A 46 -1.461 1.536 8.025 1.00 0.00 C ATOM 719 C HIS A 46 -1.224 0.406 9.043 1.00 0.00 C ATOM 720 O HIS A 46 -0.261 -0.332 8.967 1.00 0.00 O ATOM 721 CB HIS A 46 -1.909 1.011 6.632 1.00 0.00 C ATOM 722 CG HIS A 46 -3.275 0.406 6.694 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.522 -0.842 7.190 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.477 0.985 6.525 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.839 -0.960 7.359 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.467 0.116 6.950 1.00 0.00 N ATOM 0 H HIS A 46 0.303 2.176 7.182 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.298 2.129 8.394 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.904 1.830 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.196 0.269 6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.644 1.973 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.325 -1.828 7.778 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.474 0.279 6.946 1.00 0.00 H new ATOM 734 N PRO A 47 -2.153 0.259 9.980 1.00 0.00 N ATOM 735 CA PRO A 47 -2.060 -0.679 11.104 1.00 0.00 C ATOM 736 C PRO A 47 -1.943 -2.099 10.692 1.00 0.00 C ATOM 737 O PRO A 47 -1.238 -2.886 11.301 1.00 0.00 O ATOM 738 CB PRO A 47 -3.383 -0.496 11.817 1.00 0.00 C ATOM 739 CG PRO A 47 -4.257 0.262 10.910 1.00 0.00 C ATOM 740 CD PRO A 47 -3.383 1.012 10.017 1.00 0.00 C ATOM 0 HA PRO A 47 -1.170 -0.475 11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.826 -1.461 12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.244 0.039 12.756 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.904 -0.409 10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.907 0.934 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.820 1.104 9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.216 2.024 10.386 1.00 0.00 H new ATOM 748 N ASP A 48 -2.587 -2.413 9.631 1.00 0.00 N ATOM 749 CA ASP A 48 -2.669 -3.755 9.198 1.00 0.00 C ATOM 750 C ASP A 48 -1.939 -3.846 7.919 1.00 0.00 C ATOM 751 O ASP A 48 -2.059 -4.807 7.218 1.00 0.00 O ATOM 752 CB ASP A 48 -4.115 -4.204 8.952 1.00 0.00 C ATOM 753 CG ASP A 48 -5.030 -3.960 10.105 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.856 -4.582 11.161 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.953 -3.137 9.960 1.00 0.00 O ATOM 0 H ASP A 48 -3.074 -1.743 9.036 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.250 -4.396 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.503 -3.683 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.119 -5.268 8.717 1.00 0.00 H new ATOM 760 N GLY A 49 -1.172 -2.813 7.629 1.00 0.00 N ATOM 761 CA GLY A 49 -0.456 -2.717 6.349 1.00 0.00 C ATOM 762 C GLY A 49 0.410 -3.881 6.063 1.00 0.00 C ATOM 763 O GLY A 49 0.249 -4.552 5.036 1.00 0.00 O ATOM 0 H GLY A 49 -1.022 -2.022 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.183 -2.609 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.154 -1.814 6.351 1.00 0.00 H new ATOM 767 N SER A 50 1.301 -4.164 6.961 1.00 0.00 N ATOM 768 CA SER A 50 2.160 -5.324 6.763 1.00 0.00 C ATOM 769 C SER A 50 1.361 -6.644 6.830 1.00 0.00 C ATOM 770 O SER A 50 1.761 -7.662 6.264 1.00 0.00 O ATOM 771 CB SER A 50 3.428 -5.315 7.659 1.00 0.00 C ATOM 772 OG SER A 50 3.139 -5.088 9.038 1.00 0.00 O ATOM 0 H SER A 50 1.462 -3.636 7.819 1.00 0.00 H new ATOM 0 HA SER A 50 2.550 -5.253 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.946 -6.269 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.110 -4.542 7.305 1.00 0.00 H new ATOM 0 HG SER A 50 3.973 -5.095 9.552 1.00 0.00 H new ATOM 778 N ASP A 51 0.205 -6.600 7.467 1.00 0.00 N ATOM 779 CA ASP A 51 -0.680 -7.756 7.524 1.00 0.00 C ATOM 780 C ASP A 51 -1.354 -7.978 6.169 1.00 0.00 C ATOM 781 O ASP A 51 -1.410 -9.080 5.699 1.00 0.00 O ATOM 782 CB ASP A 51 -1.758 -7.621 8.619 1.00 0.00 C ATOM 783 CG ASP A 51 -1.227 -7.688 10.034 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.869 -6.631 10.606 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.203 -8.793 10.615 1.00 0.00 O ATOM 0 H ASP A 51 -0.146 -5.776 7.954 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.058 -8.615 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.278 -6.673 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.496 -8.411 8.484 1.00 0.00 H new ATOM 790 N LEU A 52 -1.799 -6.882 5.537 1.00 0.00 N ATOM 791 CA LEU A 52 -2.524 -6.879 4.229 1.00 0.00 C ATOM 792 C LEU A 52 -1.774 -7.640 3.164 1.00 0.00 C ATOM 793 O LEU A 52 -2.362 -8.354 2.358 1.00 0.00 O ATOM 794 CB LEU A 52 -2.714 -5.418 3.708 1.00 0.00 C ATOM 795 CG LEU A 52 -3.439 -4.418 4.621 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.499 -3.053 3.970 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.835 -4.884 4.965 1.00 0.00 C ATOM 0 H LEU A 52 -1.669 -5.945 5.918 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.486 -7.358 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.728 -5.012 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.260 -5.467 2.766 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.868 -4.351 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.016 -2.357 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.487 -2.693 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.037 -3.124 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.315 -4.150 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.417 -4.996 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.782 -5.843 5.481 1.00 0.00 H new ATOM 809 N ILE A 53 -0.487 -7.508 3.191 1.00 0.00 N ATOM 810 CA ILE A 53 0.347 -8.019 2.137 1.00 0.00 C ATOM 811 C ILE A 53 0.710 -9.469 2.391 1.00 0.00 C ATOM 812 O ILE A 53 0.785 -10.284 1.468 1.00 0.00 O ATOM 813 CB ILE A 53 1.632 -7.171 2.074 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.255 -5.697 1.899 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.548 -7.641 0.944 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.401 -4.746 2.075 1.00 0.00 C ATOM 0 H ILE A 53 0.022 -7.043 3.943 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.195 -7.963 1.193 1.00 0.00 H new ATOM 0 HB ILE A 53 2.184 -7.291 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.831 -5.557 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.475 -5.445 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.447 -7.024 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.826 -8.682 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.026 -7.552 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.050 -3.724 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.813 -4.854 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.174 -4.968 1.340 1.00 0.00 H new ATOM 828 N TYR A 54 0.916 -9.779 3.630 1.00 0.00 N ATOM 829 CA TYR A 54 1.393 -11.075 4.011 1.00 0.00 C ATOM 830 C TYR A 54 0.284 -12.060 4.362 1.00 0.00 C ATOM 831 O TYR A 54 0.438 -13.267 4.184 1.00 0.00 O ATOM 832 CB TYR A 54 2.407 -10.927 5.125 1.00 0.00 C ATOM 833 CG TYR A 54 3.714 -10.313 4.649 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.547 -11.005 3.782 1.00 0.00 C ATOM 835 CD2 TYR A 54 4.104 -9.046 5.049 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.725 -10.453 3.331 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.280 -8.483 4.606 1.00 0.00 C ATOM 838 CZ TYR A 54 6.087 -9.192 3.742 1.00 0.00 C ATOM 839 OH TYR A 54 7.264 -8.638 3.288 1.00 0.00 O ATOM 0 H TYR A 54 0.759 -9.141 4.410 1.00 0.00 H new ATOM 0 HA TYR A 54 1.878 -11.518 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.985 -10.306 5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.607 -11.906 5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.266 -11.995 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.472 -8.487 5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.362 -11.008 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.568 -7.495 4.933 1.00 0.00 H new ATOM 0 HH TYR A 54 7.437 -8.943 2.373 1.00 0.00 H new ATOM 849 N TYR A 55 -0.814 -11.557 4.846 1.00 0.00 N ATOM 850 CA TYR A 55 -1.922 -12.379 5.230 1.00 0.00 C ATOM 851 C TYR A 55 -3.152 -11.842 4.520 1.00 0.00 C ATOM 852 O TYR A 55 -3.533 -10.689 4.738 1.00 0.00 O ATOM 853 CB TYR A 55 -2.129 -12.328 6.755 1.00 0.00 C ATOM 854 CG TYR A 55 -0.871 -12.599 7.561 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.398 -13.889 7.754 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.153 -11.552 8.113 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.758 -14.122 8.481 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.997 -11.772 8.833 1.00 0.00 C ATOM 859 CZ TYR A 55 1.451 -13.055 9.017 1.00 0.00 C ATOM 860 OH TYR A 55 2.617 -13.271 9.733 1.00 0.00 O ATOM 0 H TYR A 55 -0.966 -10.558 4.986 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.737 -13.417 4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.516 -11.346 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.889 -13.058 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.939 -14.723 7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.504 -10.540 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.114 -15.131 8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.542 -10.939 9.252 1.00 0.00 H new ATOM 0 HH TYR A 55 2.977 -12.412 10.038 1.00 0.00 H new ATOM 870 N PRO A 56 -3.764 -12.638 3.642 1.00 0.00 N ATOM 871 CA PRO A 56 -4.908 -12.206 2.848 1.00 0.00 C ATOM 872 C PRO A 56 -6.078 -11.721 3.691 1.00 0.00 C ATOM 873 O PRO A 56 -6.431 -12.308 4.711 1.00 0.00 O ATOM 874 CB PRO A 56 -5.289 -13.435 2.017 1.00 0.00 C ATOM 875 CG PRO A 56 -4.629 -14.579 2.697 1.00 0.00 C ATOM 876 CD PRO A 56 -3.396 -14.025 3.349 1.00 0.00 C ATOM 0 HA PRO A 56 -4.650 -11.344 2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.370 -13.568 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.946 -13.337 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.292 -15.027 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.373 -15.361 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.139 -14.573 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.532 -14.081 2.687 1.00 0.00 H new ATOM 884 N ARG A 57 -6.679 -10.660 3.233 1.00 0.00 N ATOM 885 CA ARG A 57 -7.770 -9.983 3.918 1.00 0.00 C ATOM 886 C ARG A 57 -9.021 -10.332 3.213 1.00 0.00 C ATOM 887 O ARG A 57 -9.854 -9.470 2.919 1.00 0.00 O ATOM 888 CB ARG A 57 -7.619 -8.515 3.830 1.00 0.00 C ATOM 889 CG ARG A 57 -6.200 -8.030 4.085 1.00 0.00 C ATOM 890 CD ARG A 57 -5.696 -8.460 5.468 1.00 0.00 C ATOM 891 NE ARG A 57 -6.325 -7.735 6.578 1.00 0.00 N ATOM 892 CZ ARG A 57 -6.033 -7.929 7.876 1.00 0.00 C ATOM 893 NH1 ARG A 57 -5.218 -8.912 8.239 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.577 -7.157 8.811 1.00 0.00 N ATOM 0 H ARG A 57 -6.424 -10.221 2.348 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.775 -10.286 4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.934 -8.185 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.289 -8.046 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.536 -8.425 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.167 -6.943 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.876 -9.527 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.617 -8.311 5.514 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.032 -7.036 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.810 -9.524 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.999 -9.055 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.221 -6.412 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.351 -7.310 9.794 1.00 0.00 H new ATOM 908 N ASP A 58 -9.121 -11.589 2.913 1.00 0.00 N ATOM 909 CA ASP A 58 -10.245 -12.252 2.198 1.00 0.00 C ATOM 910 C ASP A 58 -11.639 -11.942 2.830 1.00 0.00 C ATOM 911 O ASP A 58 -12.684 -12.392 2.348 1.00 0.00 O ATOM 912 CB ASP A 58 -9.976 -13.771 2.161 1.00 0.00 C ATOM 913 CG ASP A 58 -10.964 -14.556 1.323 1.00 0.00 C ATOM 914 OD1 ASP A 58 -10.865 -14.510 0.076 1.00 0.00 O ATOM 915 OD2 ASP A 58 -11.830 -15.270 1.901 1.00 0.00 O ATOM 0 H ASP A 58 -8.387 -12.252 3.164 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.289 -11.852 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.972 -13.941 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.994 -14.157 3.180 1.00 0.00 H new ATOM 920 N ASP A 59 -11.637 -11.163 3.890 1.00 0.00 N ATOM 921 CA ASP A 59 -12.840 -10.666 4.520 1.00 0.00 C ATOM 922 C ASP A 59 -13.464 -9.625 3.575 1.00 0.00 C ATOM 923 O ASP A 59 -14.686 -9.475 3.501 1.00 0.00 O ATOM 924 CB ASP A 59 -12.488 -10.039 5.867 1.00 0.00 C ATOM 925 CG ASP A 59 -13.695 -9.598 6.648 1.00 0.00 C ATOM 926 OD1 ASP A 59 -14.388 -10.449 7.219 1.00 0.00 O ATOM 927 OD2 ASP A 59 -13.961 -8.388 6.722 1.00 0.00 O ATOM 0 H ASP A 59 -10.780 -10.851 4.347 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.551 -11.472 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.923 -10.759 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.836 -9.181 5.702 1.00 0.00 H new ATOM 932 N ARG A 60 -12.592 -8.927 2.838 1.00 0.00 N ATOM 933 CA ARG A 60 -12.998 -8.038 1.757 1.00 0.00 C ATOM 934 C ARG A 60 -12.439 -8.652 0.478 1.00 0.00 C ATOM 935 O ARG A 60 -11.980 -9.801 0.512 1.00 0.00 O ATOM 936 CB ARG A 60 -12.443 -6.598 1.924 1.00 0.00 C ATOM 937 CG ARG A 60 -10.918 -6.456 1.870 1.00 0.00 C ATOM 938 CD ARG A 60 -10.532 -5.015 1.533 1.00 0.00 C ATOM 939 NE ARG A 60 -10.872 -4.043 2.595 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.648 -2.940 2.454 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.244 -2.671 1.294 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.798 -2.100 3.486 1.00 0.00 N ATOM 0 H ARG A 60 -11.583 -8.967 2.980 1.00 0.00 H new ATOM 0 HA ARG A 60 -14.084 -7.946 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.874 -5.971 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.791 -6.204 2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.485 -6.741 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.509 -7.134 1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.460 -4.971 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.032 -4.721 0.610 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.486 -4.219 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.119 -3.298 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.825 -1.838 1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.330 -2.292 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.380 -1.269 3.386 1.00 0.00 H new ATOM 956 N GLU A 61 -12.492 -7.953 -0.644 1.00 0.00 N ATOM 957 CA GLU A 61 -11.816 -8.457 -1.821 1.00 0.00 C ATOM 958 C GLU A 61 -10.330 -8.400 -1.558 1.00 0.00 C ATOM 959 O GLU A 61 -9.769 -7.325 -1.290 1.00 0.00 O ATOM 960 CB GLU A 61 -12.137 -7.654 -3.081 1.00 0.00 C ATOM 961 CG GLU A 61 -11.420 -8.163 -4.333 1.00 0.00 C ATOM 962 CD GLU A 61 -11.802 -9.569 -4.728 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.406 -10.516 -4.044 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.477 -9.747 -5.768 1.00 0.00 O ATOM 0 H GLU A 61 -12.979 -7.065 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.159 -9.475 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.213 -7.680 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.865 -6.611 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.638 -7.491 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.344 -8.123 -4.165 1.00 0.00 H new ATOM 971 N ASP A 62 -9.703 -9.517 -1.611 1.00 0.00 N ATOM 972 CA ASP A 62 -8.303 -9.573 -1.343 1.00 0.00 C ATOM 973 C ASP A 62 -7.565 -9.594 -2.637 1.00 0.00 C ATOM 974 O ASP A 62 -7.341 -10.645 -3.250 1.00 0.00 O ATOM 975 CB ASP A 62 -7.923 -10.741 -0.440 1.00 0.00 C ATOM 976 CG ASP A 62 -6.429 -10.853 -0.230 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.890 -10.196 0.682 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.769 -11.624 -0.962 1.00 0.00 O ATOM 0 H ASP A 62 -10.134 -10.413 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.018 -8.681 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.414 -10.623 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.295 -11.668 -0.876 1.00 0.00 H new ATOM 983 N SER A 63 -7.302 -8.437 -3.104 1.00 0.00 N ATOM 984 CA SER A 63 -6.622 -8.234 -4.324 1.00 0.00 C ATOM 985 C SER A 63 -5.641 -7.104 -4.108 1.00 0.00 C ATOM 986 O SER A 63 -5.737 -6.409 -3.077 1.00 0.00 O ATOM 987 CB SER A 63 -7.665 -7.835 -5.379 1.00 0.00 C ATOM 988 OG SER A 63 -8.353 -6.651 -4.985 1.00 0.00 O ATOM 0 H SER A 63 -7.563 -7.572 -2.631 1.00 0.00 H new ATOM 0 HA SER A 63 -6.092 -9.127 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.175 -7.674 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.379 -8.647 -5.517 1.00 0.00 H new ATOM 0 HG SER A 63 -9.012 -6.412 -5.670 1.00 0.00 H new ATOM 994 N PRO A 64 -4.683 -6.877 -5.039 1.00 0.00 N ATOM 995 CA PRO A 64 -3.801 -5.712 -4.972 1.00 0.00 C ATOM 996 C PRO A 64 -4.649 -4.423 -4.889 1.00 0.00 C ATOM 997 O PRO A 64 -4.280 -3.463 -4.230 1.00 0.00 O ATOM 998 CB PRO A 64 -3.006 -5.794 -6.307 1.00 0.00 C ATOM 999 CG PRO A 64 -3.009 -7.235 -6.634 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.342 -7.759 -6.181 1.00 0.00 C ATOM 0 HA PRO A 64 -3.145 -5.697 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.481 -5.205 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.991 -5.412 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.871 -7.393 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.194 -7.752 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.088 -7.699 -6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.282 -8.804 -5.878 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.831 -4.467 -5.495 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.745 -3.340 -5.496 1.00 0.00 C ATOM 1010 C GLU A 65 -7.428 -3.171 -4.129 1.00 0.00 C ATOM 1011 O GLU A 65 -7.526 -2.056 -3.608 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.800 -3.508 -6.579 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.243 -3.699 -7.973 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.326 -3.712 -9.006 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.915 -4.786 -9.250 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.623 -2.638 -9.571 1.00 0.00 O ATOM 0 H GLU A 65 -6.178 -5.284 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.159 -2.444 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.425 -4.366 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.447 -2.631 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.538 -2.898 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.687 -4.635 -8.017 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.890 -4.273 -3.556 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.575 -4.231 -2.271 1.00 0.00 C ATOM 1025 C GLY A 66 -7.646 -3.897 -1.123 1.00 0.00 C ATOM 1026 O GLY A 66 -8.064 -3.285 -0.141 1.00 0.00 O ATOM 0 H GLY A 66 -7.804 -5.206 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.373 -3.490 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.045 -5.196 -2.083 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.386 -4.298 -1.239 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.369 -3.929 -0.255 1.00 0.00 C ATOM 1032 C ILE A 67 -5.211 -2.412 -0.249 1.00 0.00 C ATOM 1033 O ILE A 67 -5.174 -1.775 0.814 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.010 -4.632 -0.545 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.135 -6.140 -0.268 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.864 -4.011 0.263 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.896 -6.937 -0.581 1.00 0.00 C ATOM 0 H ILE A 67 -6.041 -4.879 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.693 -4.264 0.730 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.767 -4.486 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.389 -6.284 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.964 -6.537 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.933 -4.530 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.766 -2.957 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.077 -4.105 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.073 -7.989 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.651 -6.828 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.066 -6.572 0.024 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.168 -1.841 -1.442 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.133 -0.406 -1.606 1.00 0.00 C ATOM 1051 C VAL A 68 -6.378 0.209 -1.021 1.00 0.00 C ATOM 1052 O VAL A 68 -6.298 1.160 -0.264 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.987 0.004 -3.089 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.166 1.514 -3.281 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.630 -0.393 -3.555 1.00 0.00 C ATOM 0 H VAL A 68 -5.157 -2.362 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.256 -0.035 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.763 -0.498 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.056 1.762 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.158 1.809 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.411 2.046 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.508 -0.112 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.876 0.113 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.512 -1.472 -3.453 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.520 -0.385 -1.332 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.795 0.109 -0.873 1.00 0.00 C ATOM 1067 C LYS A 69 -8.884 0.129 0.648 1.00 0.00 C ATOM 1068 O LYS A 69 -9.447 1.056 1.218 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.947 -0.673 -1.487 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.299 -0.048 -1.173 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.268 -0.161 -2.329 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.827 0.722 -3.492 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.775 0.684 -4.626 1.00 0.00 N ATOM 0 H LYS A 69 -7.582 -1.223 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.879 1.142 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.814 -0.723 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.927 -1.697 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.726 -0.534 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.161 1.003 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.330 -1.199 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.266 0.131 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.723 1.750 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.843 0.401 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.429 1.300 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.856 -0.291 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.708 1.016 -4.309 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.293 -0.863 1.291 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.274 -0.930 2.743 1.00 0.00 C ATOM 1089 C GLU A 70 -7.539 0.300 3.300 1.00 0.00 C ATOM 1090 O GLU A 70 -8.054 0.994 4.171 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.593 -2.225 3.210 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.717 -2.510 4.704 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.144 -2.762 5.133 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.641 -3.893 4.953 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.810 -1.838 5.630 1.00 0.00 O ATOM 0 H GLU A 70 -7.817 -1.637 0.828 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.298 -0.933 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.019 -3.063 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.536 -2.177 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.108 -3.378 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.317 -1.666 5.265 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.370 0.587 2.739 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.571 1.743 3.138 1.00 0.00 C ATOM 1104 C ILE A 71 -6.271 3.057 2.777 1.00 0.00 C ATOM 1105 O ILE A 71 -6.335 3.995 3.586 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.175 1.685 2.475 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.406 0.530 3.085 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.404 3.002 2.665 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.111 0.245 2.429 1.00 0.00 C ATOM 0 H ILE A 71 -5.949 0.028 1.997 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.454 1.710 4.221 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.294 1.537 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.227 0.745 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.026 -0.366 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.428 2.924 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.965 3.820 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.272 3.196 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.627 -0.595 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.281 -0.004 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.469 1.124 2.494 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.818 3.082 1.582 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.474 4.201 0.988 1.00 0.00 C ATOM 1123 C LYS A 72 -8.659 4.631 1.851 1.00 0.00 C ATOM 1124 O LYS A 72 -8.692 5.758 2.344 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.894 3.708 -0.414 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.491 4.664 -1.419 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.837 5.141 -1.030 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.560 5.632 -2.227 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.871 6.741 -2.912 1.00 0.00 N ATOM 0 H LYS A 72 -6.810 2.266 0.970 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.842 5.085 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.012 3.266 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.615 2.903 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.827 5.521 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.552 4.172 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.398 4.333 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.751 5.939 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.691 4.807 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.557 5.960 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.557 7.277 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.440 7.371 -2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.129 6.358 -3.532 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.576 3.712 2.083 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.792 4.002 2.820 1.00 0.00 C ATOM 1145 C GLU A 73 -10.518 4.340 4.259 1.00 0.00 C ATOM 1146 O GLU A 73 -11.191 5.188 4.834 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.767 2.846 2.715 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.380 2.717 1.347 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.194 3.931 1.003 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.244 4.137 1.631 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.817 4.689 0.095 1.00 0.00 O ATOM 0 H GLU A 73 -9.500 2.745 1.767 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.243 4.884 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.251 1.919 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.560 2.978 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.594 2.580 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.012 1.829 1.310 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.514 3.710 4.815 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.147 3.924 6.191 1.00 0.00 C ATOM 1160 C TRP A 74 -8.553 5.314 6.353 1.00 0.00 C ATOM 1161 O TRP A 74 -9.024 6.102 7.167 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.163 2.838 6.615 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.690 2.872 8.035 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.327 2.384 9.138 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.441 3.371 8.483 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.538 2.550 10.243 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.374 3.158 9.865 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.378 3.979 7.836 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.270 3.529 10.613 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.273 4.358 8.550 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.222 4.126 9.942 1.00 0.00 C ATOM 0 H TRP A 74 -8.928 3.034 4.325 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.025 3.863 6.833 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.629 1.869 6.435 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.290 2.898 5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.309 1.933 9.139 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.779 2.267 11.193 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.421 4.154 6.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.230 3.358 11.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.442 4.833 8.050 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.343 4.423 10.494 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.574 5.654 5.523 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.921 6.941 5.643 1.00 0.00 C ATOM 1184 C ARG A 75 -7.856 8.081 5.319 1.00 0.00 C ATOM 1185 O ARG A 75 -7.844 9.108 6.005 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.620 7.014 4.845 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.517 6.164 5.456 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.196 6.339 4.758 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.868 7.753 4.562 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.912 8.428 5.208 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.108 7.817 6.063 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.754 9.713 4.966 1.00 0.00 N ATOM 0 H ARG A 75 -7.222 5.062 4.771 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.641 7.051 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.805 6.684 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.288 8.051 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.404 6.424 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.808 5.114 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.410 5.861 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.226 5.835 3.792 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.417 8.267 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.213 6.817 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.383 8.346 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.358 10.183 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.028 10.238 5.453 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.713 7.874 4.346 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.672 8.883 3.955 1.00 0.00 C ATOM 1208 C ALA A 76 -10.697 9.128 5.062 1.00 0.00 C ATOM 1209 O ALA A 76 -11.128 10.258 5.279 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.368 8.490 2.656 1.00 0.00 C ATOM 0 H ALA A 76 -8.766 7.010 3.807 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.129 9.813 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.085 9.263 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.627 8.383 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.890 7.543 2.795 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.021 8.084 5.806 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.055 8.163 6.818 1.00 0.00 C ATOM 1218 C ALA A 77 -11.489 8.726 8.082 1.00 0.00 C ATOM 1219 O ALA A 77 -12.154 9.427 8.825 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.680 6.808 7.059 1.00 0.00 C ATOM 0 H ALA A 77 -10.579 7.168 5.726 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.842 8.829 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.453 6.894 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.124 6.442 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.914 6.109 7.395 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.232 8.421 8.301 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.491 8.888 9.450 1.00 0.00 C ATOM 1228 C ASN A 78 -9.303 10.395 9.426 1.00 0.00 C ATOM 1229 O ASN A 78 -9.151 11.036 10.469 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.122 8.206 9.509 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.107 6.806 10.116 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.084 6.385 10.624 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.210 6.099 10.102 1.00 0.00 N ATOM 0 H ASN A 78 -9.685 7.831 7.674 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.071 8.632 10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.721 8.148 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.446 8.839 10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.226 5.171 10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.053 6.477 9.669 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.340 10.964 8.247 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.112 12.381 8.113 1.00 0.00 C ATOM 1242 C GLY A 79 -7.709 12.639 7.656 1.00 0.00 C ATOM 1243 O GLY A 79 -7.263 13.787 7.562 1.00 0.00 O ATOM 0 H GLY A 79 -9.524 10.472 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.818 12.804 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.288 12.877 9.068 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.028 11.561 7.332 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.688 11.604 6.864 1.00 0.00 C ATOM 1249 C LYS A 80 -5.698 11.974 5.413 1.00 0.00 C ATOM 1250 O LYS A 80 -6.770 12.157 4.803 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.063 10.235 7.000 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.836 9.765 8.426 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.377 8.335 8.417 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.847 7.866 9.767 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.844 7.854 10.858 1.00 0.00 N ATOM 0 H LYS A 80 -7.412 10.618 7.393 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.121 12.332 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.700 9.511 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.106 10.237 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.091 10.394 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.757 9.859 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.207 7.695 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.596 8.216 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.443 6.860 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.018 8.511 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.356 7.773 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.393 8.737 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.485 7.044 10.734 1.00 0.00 H new ATOM 1269 N SER A 81 -4.557 12.067 4.853 1.00 0.00 N ATOM 1270 CA SER A 81 -4.455 12.371 3.488 1.00 0.00 C ATOM 1271 C SER A 81 -4.479 11.072 2.711 1.00 0.00 C ATOM 1272 O SER A 81 -4.113 9.997 3.242 1.00 0.00 O ATOM 1273 CB SER A 81 -3.186 13.141 3.251 1.00 0.00 C ATOM 1274 OG SER A 81 -3.238 13.883 2.031 1.00 0.00 O ATOM 0 H SER A 81 -3.666 11.934 5.331 1.00 0.00 H new ATOM 0 HA SER A 81 -5.287 12.991 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.013 13.822 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.342 12.452 3.222 1.00 0.00 H new ATOM 0 HG SER A 81 -2.464 14.481 1.979 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.891 11.165 1.499 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.048 10.007 0.680 1.00 0.00 C ATOM 1282 C GLY A 82 -3.958 9.923 -0.329 1.00 0.00 C ATOM 1283 O GLY A 82 -2.788 9.867 0.030 1.00 0.00 O ATOM 0 H GLY A 82 -5.131 12.045 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.043 9.112 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.014 10.040 0.177 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.327 9.937 -1.578 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.398 9.864 -2.638 1.00 0.00 C ATOM 1289 C PHE A 83 -3.480 11.133 -3.452 1.00 0.00 C ATOM 1290 O PHE A 83 -4.372 11.978 -3.222 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.720 8.652 -3.506 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.778 7.371 -2.720 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.619 6.809 -2.234 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.991 6.744 -2.434 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.656 5.657 -1.493 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.019 5.589 -1.687 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.854 5.045 -1.218 1.00 0.00 C ATOM 0 H PHE A 83 -5.299 10.001 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.386 9.757 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.677 8.811 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.966 8.560 -4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.670 7.282 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.914 7.168 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.737 5.228 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.963 5.110 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.877 4.137 -0.633 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.578 11.284 -4.369 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.563 12.409 -5.241 1.00 0.00 C ATOM 1309 C LYS A 84 -3.612 12.231 -6.299 1.00 0.00 C ATOM 1310 O LYS A 84 -3.733 11.158 -6.916 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.173 12.586 -5.835 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.016 13.761 -6.783 1.00 0.00 C ATOM 1313 CD LYS A 84 0.453 14.062 -7.024 1.00 0.00 C ATOM 1314 CE LYS A 84 1.197 12.898 -7.655 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.650 13.178 -7.778 1.00 0.00 N ATOM 0 H LYS A 84 -1.822 10.619 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.797 13.318 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.459 12.701 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.904 11.673 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.507 13.539 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.509 14.639 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.539 14.935 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.927 14.319 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.049 12.002 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.781 12.692 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.145 12.316 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.800 13.932 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.024 13.482 -6.857 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.396 13.246 -6.440 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.478 13.306 -7.378 1.00 0.00 C ATOM 1331 C GLN A 85 -4.953 13.334 -8.822 1.00 0.00 C ATOM 1332 O GLN A 85 -4.499 14.361 -9.333 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.429 14.503 -7.054 1.00 0.00 C ATOM 1334 CG GLN A 85 -5.801 15.918 -7.104 1.00 0.00 C ATOM 1335 CD GLN A 85 -4.679 16.172 -6.095 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -4.661 15.618 -4.993 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -3.712 16.941 -6.492 1.00 0.00 N ATOM 0 H GLN A 85 -4.300 14.095 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.075 12.399 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.263 14.475 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.844 14.349 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.411 16.089 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.589 16.653 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.757 17.385 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.907 17.102 -5.887 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.942 12.185 -9.420 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.489 12.006 -10.751 1.00 0.00 C ATOM 1348 C GLY A 86 -4.230 10.554 -10.945 1.00 0.00 C ATOM 1349 O GLY A 86 -3.397 10.179 -11.764 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.855 9.747 -10.214 1.00 0.00 O ATOM 0 H GLY A 86 -5.259 11.323 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.236 12.360 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.582 12.584 -10.928 1.00 0.00 H new